| 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 | 54 | Low | 60 | Low | 240 Ų | 240 | 151 Ų | 151 | 100% | 1.182 | 85% | 0.854 | S | S | * | * | 0 | 108 | 0 | -76.7 | 161.9 | 170.7 | 0 | 0 | 105.5 | |||||
| 2 | A | 65.6 | Low | 58.4 | Low | 95 Ų | 95 | 146.9 Ų | 146.9 | 79% | 0.785 | 85% | 0.854 | S | S | * | * | trans | -119 | 109.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 3 | D | 57.9 | Low | 57.8 | Low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 85% | 0.854 | S | S | * | * | trans | -76.1 | 119.6 | 172.8 | -62.5 | -82.8 | 0 | 0 | 0 | 107.8 | ||||
| 4 | V | 73.7 | Confident | 57.3 | Low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | trans | -111.6 | 114.6 | 170.9 | 169.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 5 | E | 69.6 | Low | 56.4 | Low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | -73.2 | 128.5 | 172.2 | -68.6 | 175.3 | 87.2 | 0 | 0 | 109.5 | ||||
| 6 | D | 61.9 | Low | 55.8 | Low | 133 Ų | 133 | 144.8 Ų | 144.8 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | trans | -80 | 113.3 | -174.9 | -171.3 | -118.1 | 0 | 0 | 0 | 110.4 | ||||
| 7 | G | 66 | Low | 55.2 | Low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 85% | 0.846 | S | S | * | * | trans | -91.7 | 114.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E9 | G7-E9 PolarHBondContact O-N 3.31Å; G7-E9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | E | 57.4 | Low | 54.7 | Low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | trans | -72 | 90.8 | 179.2 | 38.1 | 170.2 | 70 | 0 | 0 | 112.5 | ||||
| 9 | E | 57.2 | Low | 54.3 | Low | 191 Ų | 191 | 138.4 Ų | 138.4 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | trans | -102.4 | 113.9 | 164.3 | -82.2 | -172 | 75.6 | 0 | 0 | 111 | G7 | G7-E9 PolarHBondContact O-N 3.31Å; G7-E9 VanDerWaalsContact O-N 3.12Å | ||
| 10 | T | 50.1 | Low | 53.8 | Low | 141 Ų | 141 | 137.5 Ų | 137.5 | 87% | 0.865 | 84% | 0.837 | S | S | * | * | trans | -93.4 | 106.2 | 178.1 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | A12 | T10-A12 PolarHBondContact O-N 2.86Š| ||
| 11 | C | 46.2 | Very low | 53.6 | Low | 128 Ų | 128 | 134.1 Ų | 134.1 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -71.3 | 114.4 | 170.2 | -84.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 12 | A | 40.8 | Very low | 53.3 | Low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -78 | 116.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T10 | T10-A12 PolarHBondContact O-N 2.86Š| ||
| 13 | L | 51.7 | Low | 52.4 | Low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -112.1 | 111 | 168.5 | -75.9 | 169.7 | 0 | 0 | 0 | 111 | ||||
| 14 | A | 50.8 | Low | 52.3 | Low | 82 Ų | 82 | 131.4 Ų | 131.4 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | 46 | 91.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 15 | S | 42.8 | Very low | 51.5 | Low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | 10.1 | 107.8 | 128.7 | -46.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 16 | H | 47.6 | Very low | 51.2 | Low | 193 Ų | 193 | 123 Ų | 123 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -119.9 | 120.2 | 143.5 | -87.2 | -85.2 | 0 | 0 | 0 | 109.5 | ||||
| 17 | S | 45.6 | Very low | 51.7 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -68.9 | 125 | -176.7 | -42.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 18 | G | 46.2 | Very low | 52.3 | Low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -168.4 | 85.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 19 | S | 47.6 | Very low | 53.4 | Low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 35.9 | 112 | 150.2 | -148.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 20 | S | 43.4 | Very low | 54.9 | Low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | 47.9 | 86.4 | 124.5 | -31.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 21 | G | 48.7 | Very low | 56.7 | Low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -156.1 | 101.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 22 | S | 48.6 | Very low | 58.7 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 17.5 | 119.8 | 151.7 | 41.9 | 0 | 0 | 0 | 0 | 119.4 | S24 | S22-S24 PolarHBondContact O-N 2.77Š| ||
| 23 | K | 46.4 | Very low | 61.2 | Low | 223 Ų | 223 | 130.9 Ų | 130.9 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | trans | -47.5 | 97 | 161.7 | -64.3 | 170.1 | 175.8 | 173.9 | 0 | 111.8 | ||||
| 24 | S | 56.8 | Low | 63.1 | Low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -121.1 | 125.7 | 158.8 | 52.8 | 0 | 0 | 0 | 0 | 106.8 | S22 G26 | S22-S24 PolarHBondContact O-N 2.77Å; S24-G26 VanDerWaalsContact C-N 3.33Å; S24-G26 PolarHBondContact O-N 3.33Å | ||
| 25 | G | 56.9 | Low | 65.2 | Low | 85 Ų | 85 | 135 Ų | 135 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -52.8 | 93.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D27 | G25-D27 PolarHBondContact O-N 3.1Å; G25-D27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | G | 63.3 | Low | 67.5 | Low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | -81.4 | 90.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | S24 K28 | S24-G26 VanDerWaalsContact C-N 3.33Å; S24-G26 PolarHBondContact O-N 3.33Å; G26-K28 PolarHBondContact O-N 3.47Å | ||
| 27 | D | 72.5 | Confident | 69.7 | Low | 160 Ų | 160 | 129.5 Ų | 129.5 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -48.8 | 116.4 | 161.6 | -86.5 | -43.4 | 0 | 0 | 0 | 107.3 | G25 M29 | G25-D27 PolarHBondContact O-N 3.1Å; G25-D27 VanDerWaalsContact O-N 3.15Å; D27-M29 PolarHBondContact O-N 3.33Å | ||
| 28 | K | 78.9 | Confident | 72 | Confident | 191 Ų | 191 | 130.1 Ų | 130.1 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | -55.8 | 115.1 | 179.8 | -68.5 | 179.5 | 179 | 177.4 | 0 | 107.6 | G26 F30 | G26-K28 PolarHBondContact O-N 3.47Å; K28-F30 PolarHBondContact O-N 2.95Å | ||
| 29 | M | 80.5 | Confident | 74.3 | Confident | 163 Ų | 163 | 131 Ų | 131 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -55.9 | -29.2 | -170.9 | -176.9 | 156.3 | 86.4 | 0 | 0 | 113.6 | D27 | D27-M29 PolarHBondContact O-N 3.33Š|
| 30 | F | 87.8 | Confident | 76.3 | Confident | 176 Ų | 176 | 134.9 Ų | 134.9 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | trans | -132.7 | 131.6 | 173.5 | -60.9 | -71.5 | 0 | 0 | 0 | 110.1 | K28 | K28-F30 PolarHBondContact O-N 2.95Š| ||
| 31 | S | 87.4 | Confident | 78.4 | Confident | 85 Ų | 85 | 138.8 Ų | 138.8 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | -113.4 | 120.1 | 167.8 | 63 | 0 | 0 | 0 | 0 | 108.5 | K33 | S31-K33 PolarHBondContact O-N 3.34Å; S31-K33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | L | 89.1 | Confident | 79.7 | Confident | 139 Ų | 139 | 140.5 Ų | 140.5 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -65.4 | 113.1 | 168.5 | -174.1 | 66.9 | 0 | 0 | 0 | 107.8 | W35 | L32-W35 HydrophobicContact CD1-CB 4.25Å; L32-W35 HydrophobicContact CD2-CB 4.09Å; L32-W35 HydrophobicContact CG-CB 4.42Å | ||
| 33 | K | 91.8 | Very high | 80.8 | Confident | 194 Ų | 194 | 142.9 Ų | 142.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -88.6 | -38.1 | -178.9 | -70.2 | -174.8 | 176.2 | -179.7 | 0 | 112.6 | S31 | S31-K33 PolarHBondContact O-N 3.34Å; S31-K33 VanDerWaalsContact O-N 3.16Å | ||
| 34 | K | 92.9 | Very high | 82.1 | Confident | 160 Ų | 160 | 140.3 Ų | 140.3 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -158.9 | 135.1 | -179.6 | -171.9 | 173.3 | -174.1 | 174.9 | 0 | 108.2 | N36 | K34-N36 VanDerWaalsContact CE-OD1 3.32Å; K34-N36 WeakPolarHBondContact CE-OD1 3.39Å | ||
| 35 | W | 93.7 | Very high | 82.8 | Confident | 175 Ų | 175 | 137.3 Ų | 137.3 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | -123.9 | 130.9 | 171.2 | -173.8 | 31.6 | 0 | 0 | 0 | 108.3 | L32 A37 | L32-W35 HydrophobicContact CD1-CB 4.25Å; L32-W35 HydrophobicContact CD2-CB 4.09Å; L32-W35 HydrophobicContact CG-CB 4.42Å; W35-A37 HydrophobicContact CD2-CB 4.24Å; W35-A37 HydrophobicContact CH2-CB 4.25Å; W35-A37 HydrophobicContact CZ2-CB 3.81Å | ||
| 36 | N | 92 | Very high | 83.5 | Confident | 123 Ų | 123 | 140.7 Ų | 140.7 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | -116 | 91.5 | 169.6 | -54 | -77.5 | 0 | 0 | 0 | 106.3 | K34 | K34-N36 VanDerWaalsContact CE-OD1 3.32Å; K34-N36 WeakPolarHBondContact CE-OD1 3.39Å | ||
| 37 | A | 93.1 | Very high | 83.9 | Confident | 67 Ų | 67 | 140 Ų | 140 | 55% | 0.554 | 71% | 0.708 | S | S | * | * | trans | -73.5 | 135.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | W35 | W35-A37 HydrophobicContact CD2-CB 4.24Å; W35-A37 HydrophobicContact CH2-CB 4.25Å; W35-A37 HydrophobicContact CZ2-CB 3.81Å | ||
| 38 | V | 94.1 | Very high | 84.5 | Confident | 144 Ų | 144 | 136.7 Ų | 136.7 | 87% | 0.873 | 69% | 0.691 | S | S | * | * | trans | -112.4 | 124.4 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 39 | A | 94 | Very high | 85.2 | Confident | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | trans | -122.7 | 149.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 40 | M | 89.7 | Confident | 85.8 | Confident | 189 Ų | 189 | 122.9 Ų | 122.9 | 93% | 0.931 | 63% | 0.631 | S | S | * | * | trans | -102.6 | 139.3 | 163.2 | -61.9 | -177 | -64.3 | 0 | 0 | 107 | ||||
| 41 | W | 87.7 | Confident | 86.1 | Confident | 202 Ų | 202 | 115.7 Ų | 115.7 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | trans | -108.1 | 148.7 | 171.8 | 65.2 | -86.6 | 0 | 0 | 0 | 108.9 | W43 | W41-W43 HydrophobicContact CZ3-CD2 4.33Å; W41-W43 AromaticContact CZ3-CE2 3.93Å; W41-W43 HydrophobicContact CZ3-CZ2 4.17Å | ||
| 42 | S | 76.2 | Confident | 86.4 | Confident | 104 Ų | 104 | 114.3 Ų | 114.3 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -133.2 | 164.7 | 166.2 | 61.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 43 | W | 71.3 | Confident | 86.7 | Confident | 161 Ų | 161 | 108.6 Ų | 108.6 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | trans | -65.3 | 136.9 | 166.5 | -64.1 | 110.4 | 0 | 0 | 0 | 109.2 | W41 V45 | W41-W43 HydrophobicContact CZ3-CD2 4.33Å; W41-W43 AromaticContact CZ3-CE2 3.93Å; W41-W43 HydrophobicContact CZ3-CZ2 4.17Å; W43-V45 HydrophobicContact CB-CG2 3.96Å; W43-V45 PolarHBondContact O-N 3.32Å | ||
| 44 | D | 74.4 | Confident | 86.8 | Confident | 169 Ų | 169 | 108.8 Ų | 108.8 | 90% | 0.904 | 56% | 0.557 | S | S | * | * | trans | -79.4 | 75 | 171.9 | -174.3 | 24.5 | 0 | 0 | 0 | 108.9 | ||||
| 45 | V | 72.7 | Confident | 86.9 | Confident | 40 Ų | 40 | 102.1 Ų | 102.1 | 24% | 0.242 | 53% | 0.53 | C | S | . | . | trans | -135 | 128.1 | -178.8 | -177.1 | 0 | 0 | 0 | 0 | 108 | W43 C47 S83 | W43-V45 HydrophobicContact CB-CG2 3.96Å; W43-V45 PolarHBondContact O-N 3.32Å; V45-C47 WeakPolarHBondContact CG1-O 3.39Å; V45-C47 PolarHBondContact O-N 2.96Å; V45-S83 WeakPolarHBondContact CG1-OG 3.39Å | ||
| 46 | E | 70.6 | Confident | 86.9 | Confident | 156 Ų | 156 | 99 Ų | 99 | 73% | 0.729 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -65.4 | -27.1 | 179.3 | -67 | -175.7 | 165.1 | 0 | 0 | 112.5 | H82 | E46-H82 IonicContact OE2-CD2 2.77Å; E46-H82 IonicContact OE2-NE2 3.35Å; E46-H82 PolarHBondContact OE2-NE2 3.27Å |
| 47 | C | 72.6 | Confident | 86.9 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | trans | -144.1 | 106.7 | -174 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | V45 T49 S83 | V45-C47 WeakPolarHBondContact CG1-O 3.39Å; V45-C47 PolarHBondContact O-N 2.96Å; C47-T49 PolarHBondContact O-N 3.46Å; C47-S83 PolarHBondContact O-OG 3.04Å | ||
| 48 | D | 84.6 | Confident | 86.7 | Confident | 90 Ų | 90 | 97 Ų | 97 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -75.8 | 0.3 | 173.8 | -62.2 | -20.5 | 0 | 0 | 0 | 113.4 | Q56 V57 | D48-Q56 CarbonylContact O-C 3.51Å; D48-Q56 VanDerWaalsContact O-CA 3.23Å; D48-Q56 WeakPolarHBondContact O-CA 3.45Å; D48-V57 PolarHBondContact O-N 2.94Å |
| 49 | T | 92.1 | Very high | 86.6 | Confident | 64 Ų | 64 | 94 Ų | 94 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -116.7 | 128.3 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | C47 A51 | C47-T49 PolarHBondContact O-N 3.46Å; T49-A51 PolarHBondContact O-N 2.95Å; T49-A51 VanDerWaalsContact O-N 3.11Å |
| 50 | C | 94.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -66.3 | 112.9 | 174.3 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | I52 C53 R54 V55 V57 H85 | C50-I52 PolarHBondContact O-N 2.94Å; C50-C53 PolarHBondContact O-N 3.42Å; C50-R54 VanDerWaalsContact O-CA 3.28Å; C50-R54 WeakPolarHBondContact O-CA 3.36Å; C50-R54 PolarHBondContact O-N 2.84Å; C50-V55 PolarHBondContact N-O 2.97Å; C50-V57 HydrophobicContact CB-CG2 4.12Å; C50-H85 WeakPolarHBondContact CB-ND1 3.32Å | ||
| 51 | A | 93.7 | Very high | 86.8 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T49 R54 F84 L101 | T49-A51 PolarHBondContact O-N 2.95Å; T49-A51 VanDerWaalsContact O-N 3.11Å; A51-R54 PolarHBondContact O-NE 3.02Å; A51-F84 HydrophobicContact CB-CE1 4Å; A51-L101 HydrophobicContact CB-CD2 3.97Å; A51-L101 HydrophobicContact CB-CG 4.37Å |
| 52 | I | 94.5 | Very high | 87.2 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 28% | 0.282 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -49.3 | -179 | -58.6 | 166.3 | 0 | 0 | 0 | 111.2 | C50 F84 C88 M89 W92 P100 | C50-I52 PolarHBondContact O-N 2.94Å; I52-F84 HydrophobicContact CD1-CD1 4Å; I52-F84 HydrophobicContact CD1-CG 4.47Å; I52-F84 HydrophobicContact CG1-CD1 4.18Å; I52-C88 HydrophobicContact CB-CB 3.92Å; I52-C88 HydrophobicContact CD1-CB 3.86Å; I52-C88 HydrophobicContact CG1-CB 4.49Å; I52-C88 HydrophobicContact CG2-CB 3.88Å; I52-M89 HydrophobicContact CD1-CE 4.1Å; I52-W92 HydrophobicContact CD1-CB 3.95Å; I52-W92 HydrophobicContact CD1-CG 4.26Å; I52-W92 HydrophobicContact CG1-CE3 4.38Å; I52-P100 HydrophobicContact CD1-CG 4.18Å; I52-P100 HydrophobicContact CG1-CG 4.05Å |
| 53 | C | 95.2 | Very high | 88 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 13% | 0.128 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -5.1 | -176.6 | 70.4 | 0 | 0 | 0 | 0 | 114.6 | C50 V55 L62 H85 C88 | C50-C53 PolarHBondContact O-N 3.42Å; C53-V55 PolarHBondContact O-N 3.16Å; C53-L62 WeakPolarHBondContact O-CD1 3.46Å; C53-H85 PolarHBondContact SG-ND1 3.38Å; C53-C88 VanDerWaalsContact SG-SG 3.67Å |
| 54 | R | 94.5 | Very high | 89.2 | Confident | 198 Ų | 198 | 70.9 Ų | 70.9 | 75% | 0.747 | 36% | 0.357 | S | S | * | . | trans | 60.6 | 21.7 | 179.4 | -51 | -64.7 | -178.7 | 155.5 | -0.1 | 115.1 | C50 A51 | C50-R54 VanDerWaalsContact O-CA 3.28Å; C50-R54 WeakPolarHBondContact O-CA 3.36Å; C50-R54 PolarHBondContact O-N 2.84Å; A51-R54 PolarHBondContact O-NE 3.02Å | ||
| 55 | V | 94.7 | Very high | 90.1 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -103 | 152.3 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | C50 C53 V57 D59 L62 | C50-V55 PolarHBondContact N-O 2.97Å; C53-V55 PolarHBondContact O-N 3.16Å; V55-V57 PolarHBondContact O-N 2.71Å; V55-D59 HydrophobicContact CG1-CB 3.84Å; V55-L62 HydrophobicContact CG2-CD1 4.38Å; V55-L62 HydrophobicContact CG2-CD2 3.81Å; V55-L62 HydrophobicContact CG2-CG 3.64Å |
| 56 | Q | 93.3 | Very high | 91.1 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -57.9 | 137.6 | 175.6 | -62.5 | -163.7 | -83.5 | 0 | 0 | 110.5 | D48 M58 D59 H85 | D48-Q56 CarbonylContact O-C 3.51Å; D48-Q56 VanDerWaalsContact O-CA 3.23Å; D48-Q56 WeakPolarHBondContact O-CA 3.45Å; Q56-M58 PolarHBondContact O-N 2.93Å; Q56-D59 PolarHBondContact O-N 2.87Å; Q56-H85 PolarHBondContact O-CE1 3.32Å; Q56-H85 PolarHBondContact O-NE2 3.4Å |
| 57 | V | 91.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.8 | -176.3 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | D48 C50 V55 V75 H85 | D48-V57 PolarHBondContact O-N 2.94Å; C50-V57 HydrophobicContact CB-CG2 4.12Å; V55-V57 PolarHBondContact O-N 2.71Å; V57-V75 HydrophobicContact CG1-CB 4.03Å; V57-V75 HydrophobicContact CG1-CG1 3.31Å; V57-V75 HydrophobicContact CG1-CG2 3.49Å; V57-V75 VanDerWaalsContact CG1-CG2 3.49Å; V57-V75 WeakPolarHBondContact O-CG2 3.14Å; V57-H85 WeakPolarHBondContact CA-NE2 3.3Å; V57-H85 PolarHBondContact O-NE2 3.33Å |
| 58 | M | 88.6 | Confident | 93.1 | Very high | 139 Ų | 139 | 70 Ų | 70 | 69% | 0.685 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16 | 176.6 | -60.1 | -58.7 | -69.3 | 0 | 0 | 113.6 | Q56 | Q56-M58 PolarHBondContact O-N 2.93Š|
| 59 | D | 91.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -97.6 | 167.2 | 177.3 | -69.3 | -36.3 | 0 | 0 | 0 | 110.7 | V55 Q56 H85 | V55-D59 HydrophobicContact CG1-CB 3.84Å; Q56-D59 PolarHBondContact O-N 2.87Å; D59-H85 PolarHBondContact O-NE2 2.97Å |
| 60 | A | 93.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 71 Ų | 71 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 142.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C64 Q65 Q70 C73 | A60-C64 HydrophobicContact CB-CB 4.21Å; A60-Q65 HydrophobicContact CB-CG 3.94Å; A60-Q65 WeakPolarHBondContact O-CG 3.26Å; A60-Q65 PolarHBondContact O-NE2 3.48Å; A60-Q70 HydrophobicContact CB-CB 3.58Å; A60-Q70 HydrophobicContact CB-CG 3.64Å; A60-C73 HydrophobicContact CB-CB 3.97Å |
| 61 | C | 95.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.007 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 158.9 | 175.2 | 79.3 | 0 | 0 | 0 | 0 | 112.1 | R63 C64 Q65 C73 H85 | C61-R63 PolarHBondContact O-N 3.21Å; C61-C64 PolarHBondContact O-N 3.1Å; C61-Q65 WeakPolarHBondContact O-CG 3.48Å; C61-Q65 PolarHBondContact O-N 3.46Å; C61-C73 PolarHBondContact N-SG 3.48Å; C61-H85 HydrophobicContact CB-CB 4.08Å; C61-H85 WeakPolarHBondContact CB-ND1 3.23Å |
| 62 | L | 94.2 | Very high | 93 | Very high | 101 Ų | 101 | 82.7 Ų | 82.7 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -50.8 | -35.4 | -178.9 | -67.4 | 171.3 | 0 | 0 | 0 | 114 | C53 V55 A66 | C53-L62 WeakPolarHBondContact O-CD1 3.46Å; V55-L62 HydrophobicContact CG2-CD1 4.38Å; V55-L62 HydrophobicContact CG2-CD2 3.81Å; V55-L62 HydrophobicContact CG2-CG 3.64Å; L62-A66 WeakPolarHBondContact O-CB 3.16Å; L62-A66 PolarHBondContact O-N 2.91Å; L62-A66 VanDerWaalsContact O-N 3.09Å |
| 63 | R | 94.4 | Very high | 92.9 | Very high | 139 Ų | 139 | 80.8 Ų | 80.8 | 53% | 0.525 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.3 | -47.4 | 178.4 | -173.8 | -173.1 | -56.4 | -88.8 | -6.2 | 111.8 | C61 Q65 A66 E67 | C61-R63 PolarHBondContact O-N 3.21Å; R63-Q65 VanDerWaalsContact C-N 3.31Å; R63-A66 PolarHBondContact O-N 3.31Å; R63-E67 PolarHBondContact O-N 2.84Å |
| 64 | C | 95 | Very high | 92.9 | Very high | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.8 | -33.9 | 179 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | A60 C61 N68 K69 C73 | A60-C64 HydrophobicContact CB-CB 4.21Å; C61-C64 PolarHBondContact O-N 3.1Å; C64-N68 PolarHBondContact O-N 2.93Å; C64-N68 VanDerWaalsContact O-N 3.15Å; C64-K69 WeakPolarHBondContact CB-O 3.24Å; C64-K69 PolarHBondContact O-N 3.11Å; C64-C73 HydrophobicContact CB-CB 3.82Å |
| 65 | Q | 93.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 73.1 Ų | 73.1 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 171 | -68.5 | -177.5 | 11 | 0 | 0 | 111.5 | A60 C61 R63 N68 | A60-Q65 HydrophobicContact CB-CG 3.94Å; A60-Q65 WeakPolarHBondContact O-CG 3.26Å; A60-Q65 PolarHBondContact O-NE2 3.48Å; C61-Q65 WeakPolarHBondContact O-CG 3.48Å; C61-Q65 PolarHBondContact O-N 3.46Å; R63-Q65 VanDerWaalsContact C-N 3.31Å; Q65-N68 PolarHBondContact O-N 3.44Å |
| 66 | A | 94.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 72.2 Ų | 72.2 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.2 | -34.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L62 R63 N68 | L62-A66 WeakPolarHBondContact O-CB 3.16Å; L62-A66 PolarHBondContact O-N 2.91Å; L62-A66 VanDerWaalsContact O-N 3.09Å; R63-A66 PolarHBondContact O-N 3.31Å; A66-N68 VanDerWaalsContact C-N 3.33Å |
| 67 | E | 94.2 | Very high | 92.8 | Very high | 100 Ų | 100 | 69.2 Ų | 69.2 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.2 | 178.9 | -70.2 | -178.2 | -151.5 | 0 | 0 | 114 | R63 K69 | R63-E67 PolarHBondContact O-N 2.84Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 HydrophobicContact CB-CD 4.31Å; E67-K69 HydrophobicContact CB-CG 4.28Å; E67-K69 PolarHBondContact O-N 3.09Å; E67-K69 IonicContact OE2-NZ 3.61Å; E67-K69 PolarHBondContact OE2-NZ 3.06Å |
| 68 | N | 91.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 68.8 Ų | 68.8 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 41.4 | -172.8 | -152.2 | 48.7 | 0 | 0 | 0 | 113.5 | C64 Q65 A66 Q70 | C64-N68 PolarHBondContact O-N 2.93Å; C64-N68 VanDerWaalsContact O-N 3.15Å; Q65-N68 PolarHBondContact O-N 3.44Å; A66-N68 VanDerWaalsContact C-N 3.33Å; N68-Q70 PolarHBondContact O-OE1 3.16Å; N68-Q70 PolarHBondContact OD1-NE2 3.3Å; N68-Q70 VanDerWaalsContact OD1-NE2 3.08Å; N68-Q70 PolarHBondContact OD1-OE1 2.88Å |
| 69 | K | 91.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 68.1 Ų | 68.1 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | trans | -121.4 | 45.1 | 176.8 | -64.6 | 178.8 | -171.9 | 156.1 | 0 | 110.8 | C64 E67 E71 D72 | C64-K69 WeakPolarHBondContact CB-O 3.24Å; C64-K69 PolarHBondContact O-N 3.11Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 HydrophobicContact CB-CD 4.31Å; E67-K69 HydrophobicContact CB-CG 4.28Å; E67-K69 PolarHBondContact O-N 3.09Å; E67-K69 IonicContact OE2-NZ 3.61Å; E67-K69 PolarHBondContact OE2-NZ 3.06Å; K69-E71 PolarHBondContact O-N 3.06Å; K69-D72 PolarHBondContact O-N 3.43Å | ||
| 70 | Q | 90.9 | Very high | 93.3 | Very high | 82 Ų | 82 | 65.7 Ų | 65.7 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -63.7 | -32.6 | -177.5 | -60.6 | 87.5 | -18.9 | 0 | 0 | 111.2 | A60 N68 D72 C73 | A60-Q70 HydrophobicContact CB-CB 3.58Å; A60-Q70 HydrophobicContact CB-CG 3.64Å; N68-Q70 PolarHBondContact O-OE1 3.16Å; N68-Q70 PolarHBondContact OD1-NE2 3.3Å; N68-Q70 VanDerWaalsContact OD1-NE2 3.08Å; N68-Q70 PolarHBondContact OD1-OE1 2.88Å; Q70-D72 VanDerWaalsContact C-N 3.29Å; Q70-D72 PolarHBondContact O-N 3.39Å; Q70-C73 WeakPolarHBondContact O-CB 3.26Å; Q70-C73 PolarHBondContact O-N 3.37Å |
| 71 | E | 88.9 | Confident | 93.1 | Very high | 171 Ų | 171 | 70 Ų | 70 | 80% | 0.799 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -64.6 | -27 | 178.2 | 62.8 | -164.1 | 144.7 | 0 | 0 | 114.2 | K69 C73 | K69-E71 PolarHBondContact O-N 3.06Å; E71-C73 VanDerWaalsContact C-N 3.34Å |
| 72 | D | 90.5 | Very high | 92.9 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -85.8 | -8.6 | 178.3 | -66.2 | -37.4 | 0 | 0 | 0 | 112.9 | K69 Q70 V74 | K69-D72 PolarHBondContact O-N 3.43Å; Q70-D72 VanDerWaalsContact C-N 3.29Å; Q70-D72 PolarHBondContact O-N 3.39Å; D72-V74 VanDerWaalsContact C-N 3.35Å; D72-V74 PolarHBondContact O-N 2.88Å |
| 73 | C | 93.4 | Very high | 92.9 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 11% | 0.108 | 34% | 0.336 | C | S | . | . | trans | -83.3 | 77.6 | -172.1 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | A60 C61 C64 Q70 E71 | A60-C73 HydrophobicContact CB-CB 3.97Å; C61-C73 PolarHBondContact N-SG 3.48Å; C64-C73 HydrophobicContact CB-CB 3.82Å; Q70-C73 WeakPolarHBondContact O-CB 3.26Å; Q70-C73 PolarHBondContact O-N 3.37Å; E71-C73 VanDerWaalsContact C-N 3.34Å | ||
| 74 | V | 93.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | trans | -81.5 | 156.4 | 179.3 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | D72 N86 I111 G112 | D72-V74 VanDerWaalsContact C-N 3.35Å; D72-V74 PolarHBondContact O-N 2.88Å; V74-N86 HydrophobicContact CG2-CB 3.58Å; V74-N86 VanDerWaalsContact O-CB 3.3Å; V74-N86 WeakPolarHBondContact O-CB 3.42Å; V74-N86 PolarHBondContact O-N 3.2Å; V74-I111 HydrophobicContact CB-CG2 4.47Å; V74-I111 HydrophobicContact CG2-CG2 3.89Å; V74-G112 WeakPolarHBondContact CB-O 3.46Å; V74-G112 VanDerWaalsContact CG1-O 3.3Å; V74-G112 WeakPolarHBondContact CG1-O 3.32Å | ||
| 75 | V | 93.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 141.2 | 175 | -177 | 0 | 0 | 0 | 0 | 110.4 | V57 W77 G112 | V57-V75 HydrophobicContact CG1-CB 4.03Å; V57-V75 HydrophobicContact CG1-CG1 3.31Å; V57-V75 HydrophobicContact CG1-CG2 3.49Å; V57-V75 VanDerWaalsContact CG1-CG2 3.49Å; V57-V75 WeakPolarHBondContact O-CG2 3.14Å; V75-W77 HydrophobicContact CB-CH2 3.66Å; V75-W77 HydrophobicContact CB-CZ2 4.07Å; V75-W77 HydrophobicContact CB-CZ3 3.91Å; V75-W77 HydrophobicContact CG1-CD2 4.04Å; V75-W77 HydrophobicContact CG1-CE3 4.05Å; V75-W77 HydrophobicContact CG1-CH2 3.61Å; V75-W77 HydrophobicContact CG1-CZ2 3.53Å; V75-W77 HydrophobicContact CG1-CZ3 3.88Å; V75-W77 WeakPolarHBondContact O-CZ3 3.3Å; V75-G112 PolarHBondContact O-N 3.16Å |
| 76 | V | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.9 | 171.9 | 65.7 | 0 | 0 | 0 | 0 | 110 | S83 F84 N86 M89 W106 V108 I111 | V76-S83 WeakPolarHBondContact O-CA 3.43Å; V76-F84 HydrophobicContact CG1-CB 4.4Å; V76-F84 WeakPolarHBondContact CG1-O 3.46Å; V76-F84 PolarHBondContact N-O 3.11Å; V76-F84 PolarHBondContact O-N 2.82Å; V76-N86 HydrophobicContact CB-CB 4.26Å; V76-N86 HydrophobicContact CG1-CB 4.34Å; V76-M89 HydrophobicContact CG1-CB 3.85Å; V76-M89 HydrophobicContact CG1-CG 4.24Å; V76-W106 HydrophobicContact CG1-CZ2 4.04Å; V76-W106 HydrophobicContact CG2-CZ2 4.09Å; V76-V108 HydrophobicContact CG2-CB 4.48Å; V76-V108 HydrophobicContact CG2-CG1 3.71Å; V76-V108 HydrophobicContact CG2-CG2 4.09Å; V76-I111 HydrophobicContact CG2-CG1 3.99Å |
| 77 | W | 93 | Very high | 93 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.9 | 174.1 | -62.4 | -101.8 | 0 | 0 | 0 | 109.6 | V75 Q109 R110 | V75-W77 HydrophobicContact CB-CH2 3.66Å; V75-W77 HydrophobicContact CB-CZ2 4.07Å; V75-W77 HydrophobicContact CB-CZ3 3.91Å; V75-W77 HydrophobicContact CG1-CD2 4.04Å; V75-W77 HydrophobicContact CG1-CE3 4.05Å; V75-W77 HydrophobicContact CG1-CH2 3.61Å; V75-W77 HydrophobicContact CG1-CZ2 3.53Å; V75-W77 HydrophobicContact CG1-CZ3 3.88Å; V75-W77 WeakPolarHBondContact O-CZ3 3.3Å; W77-Q109 PolarHBondContact O-N 2.76Å; W77-R110 HydrophobicContact CB-CG 3.71Å; W77-R110 HydrophobicContact CD2-CG 3.96Å; W77-R110 VanDerWaalsContact CD2-NE 3.34Å; W77-R110 HydrophobicContact CE3-CG 3.65Å; W77-R110 HydrophobicContact CG-CG 4.01Å; W77-R110 HydrophobicContact CZ3-CG 4.48Å; W77-R110 PolarHBondContact N-O 3.05Å; W77-R110 PolarHBondContact O-N 2.99Å |
| 78 | G | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 163.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C80 N81 H82 W106 V107 Q109 | G78-C80 PolarHBondContact O-N 3.47Å; G78-C80 VanDerWaalsContact O-N 3.11Å; G78-N81 WeakPolarHBondContact O-CA 3.21Å; G78-N81 PolarHBondContact O-N 2.83Å; G78-H82 PolarHBondContact N-O 2.97Å; G78-W106 VanDerWaalsContact CA-CH2 3.46Å; G78-V107 CarbonylContact C-O 3.51Å; G78-V107 WeakPolarHBondContact CA-O 3.23Å; G78-Q109 PolarHBondContact O-OE1 3.15Å |
| 79 | E | 94.5 | Very high | 93.3 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.7 | 173.1 | -68.3 | -172.8 | 161.7 | 0 | 0 | 113.1 | N81 V107 Q109 | E79-N81 PolarHBondContact O-N 3.01Å; E79-V107 HydrophobicContact CG-CB 4.02Å; E79-V107 HydrophobicContact CG-CG1 3.98Å; E79-V107 PolarHBondContact N-O 2.96Å; E79-Q109 HydrophobicContact CG-CB 4.15Å |
| 80 | C | 93 | Very high | 93.5 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 11.5 | 170.7 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | G78 H82 C99 | G78-C80 PolarHBondContact O-N 3.47Å; G78-C80 VanDerWaalsContact O-N 3.11Å; C80-H82 PolarHBondContact O-N 3.25Å; C80-H82 PolarHBondContact O-ND1 2.8Å; C80-H82 PolarHBondContact SG-ND1 3.44Å; C80-H82 VanDerWaalsContact SG-ND1 3.37Å; C80-C99 VanDerWaalsContact SG-SG 3.67Å |
| 81 | N | 90.4 | Very high | 93.7 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 56% | 0.556 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 59.6 | 7.3 | -177 | -67.3 | -52.8 | 0 | 0 | 0 | 116.5 | G78 E79 | G78-N81 WeakPolarHBondContact O-CA 3.21Å; G78-N81 PolarHBondContact O-N 2.83Å; E79-N81 PolarHBondContact O-N 3.01Å |
| 82 | H | 92.2 | Very high | 94 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | trans | -81 | 136.7 | 173.4 | -65.2 | 116 | 0 | 0 | 0 | 112.2 | E46 G78 C80 F84 C99 L101 | E46-H82 IonicContact OE2-CD2 2.77Å; E46-H82 IonicContact OE2-NE2 3.35Å; E46-H82 PolarHBondContact OE2-NE2 3.27Å; G78-H82 PolarHBondContact N-O 2.97Å; C80-H82 PolarHBondContact O-N 3.25Å; C80-H82 PolarHBondContact O-ND1 2.8Å; C80-H82 PolarHBondContact SG-ND1 3.44Å; C80-H82 VanDerWaalsContact SG-ND1 3.37Å; H82-F84 HydrophobicContact CB-CE2 3.58Å; H82-F84 HydrophobicContact CB-CZ 4Å; H82-C99 PolarHBondContact ND1-SG 3.36Å; H82-L101 HydrophobicContact CB-CD1 4.08Å; H82-L101 WeakPolarHBondContact CD2-CD1 3.46Å | ||
| 83 | S | 93.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 140 | -179.8 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | V45 C47 V76 | V45-S83 WeakPolarHBondContact CG1-OG 3.39Å; C47-S83 PolarHBondContact O-OG 3.04Å; V76-S83 WeakPolarHBondContact O-CA 3.43Å |
| 84 | F | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 165.3 | 176.5 | -55.5 | -89.9 | 0 | 0 | 0 | 110.1 | A51 I52 V76 H82 N86 M89 P100 L101 W106 | A51-F84 HydrophobicContact CB-CE1 4Å; I52-F84 HydrophobicContact CD1-CD1 4Å; I52-F84 HydrophobicContact CD1-CG 4.47Å; I52-F84 HydrophobicContact CG1-CD1 4.18Å; V76-F84 HydrophobicContact CG1-CB 4.4Å; V76-F84 WeakPolarHBondContact CG1-O 3.46Å; V76-F84 PolarHBondContact N-O 3.11Å; V76-F84 PolarHBondContact O-N 2.82Å; H82-F84 HydrophobicContact CB-CE2 3.58Å; H82-F84 HydrophobicContact CB-CZ 4Å; F84-N86 PolarHBondContact O-N 3.15Å; F84-M89 HydrophobicContact CB-CB 4.24Å; F84-M89 HydrophobicContact CB-CE 3.96Å; F84-M89 HydrophobicContact CD1-CE 3.94Å; F84-M89 HydrophobicContact CD2-CE 3.07Å; F84-M89 HydrophobicContact CE1-CE 4.2Å; F84-M89 HydrophobicContact CE2-CE 3.39Å; F84-M89 HydrophobicContact CG-CE 3.37Å; F84-M89 HydrophobicContact CZ-CE 3.96Å; F84-P100 HydrophobicContact CE1-CB 4.26Å; F84-P100 HydrophobicContact CE1-CG 3.91Å; F84-P100 HydrophobicContact CZ-CB 4.37Å; F84-P100 HydrophobicContact CZ-CG 4.01Å; F84-L101 HydrophobicContact CE1-CD1 4.28Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CZ-CD1 3.88Å; F84-L101 HydrophobicContact CZ-CG 4.04Å; F84-W106 AromaticContact CD2-CH2 3.62Å; F84-W106 HydrophobicContact CD2-CH2 3.62Å; F84-W106 AromaticContact CD2-CZ3 3.83Å; F84-W106 HydrophobicContact CD2-CZ3 3.83Å; F84-W106 AromaticContact CE2-CH2 3.92Å; F84-W106 HydrophobicContact CE2-CH2 3.92Å; F84-W106 AromaticContact CE2-CZ3 3.61Å; F84-W106 HydrophobicContact CE2-CZ3 3.61Å |
| 85 | H | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.9 | 163.6 | -57.8 | 119.5 | 0 | 0 | 0 | 109.7 | C50 C53 Q56 V57 D59 C61 C87 C88 M89 | C50-H85 WeakPolarHBondContact CB-ND1 3.32Å; C53-H85 PolarHBondContact SG-ND1 3.38Å; Q56-H85 PolarHBondContact O-CE1 3.32Å; Q56-H85 PolarHBondContact O-NE2 3.4Å; V57-H85 WeakPolarHBondContact CA-NE2 3.3Å; V57-H85 PolarHBondContact O-NE2 3.33Å; D59-H85 PolarHBondContact O-NE2 2.97Å; C61-H85 HydrophobicContact CB-CB 4.08Å; C61-H85 WeakPolarHBondContact CB-ND1 3.23Å; H85-C87 PolarHBondContact O-N 3.25Å; H85-C88 HydrophobicContact CB-CB 4.06Å; H85-C88 WeakPolarHBondContact O-CB 3.46Å; H85-C88 PolarHBondContact O-N 3Å; H85-M89 PolarHBondContact O-N 2.9Å |
| 86 | N | 95.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.3 | -39.5 | 177 | -179.6 | 72.2 | 0 | 0 | 0 | 111.5 | V74 V76 F84 C88 M89 S90 | V74-N86 HydrophobicContact CG2-CB 3.58Å; V74-N86 VanDerWaalsContact O-CB 3.3Å; V74-N86 WeakPolarHBondContact O-CB 3.42Å; V74-N86 PolarHBondContact O-N 3.2Å; V76-N86 HydrophobicContact CB-CB 4.26Å; V76-N86 HydrophobicContact CG1-CB 4.34Å; F84-N86 PolarHBondContact O-N 3.15Å; N86-C88 VanDerWaalsContact C-N 3.34Å; N86-C88 PolarHBondContact O-N 3Å; N86-M89 PolarHBondContact O-N 3.18Å; N86-S90 WeakPolarHBondContact O-CB 3.12Å; N86-S90 PolarHBondContact O-N 3.02Å; N86-S90 PolarHBondContact O-OG 2.84Å |
| 87 | C | 95.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | H85 L91 | H85-C87 PolarHBondContact O-N 3.25Å; C87-L91 WeakPolarHBondContact O-CG 3.46Å |
| 88 | C | 96 | Very high | 94.6 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 8% | 0.081 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71 | -48.1 | 177.7 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | I52 C53 H85 N86 L91 W92 | I52-C88 HydrophobicContact CB-CB 3.92Å; I52-C88 HydrophobicContact CD1-CB 3.86Å; I52-C88 HydrophobicContact CG1-CB 4.49Å; I52-C88 HydrophobicContact CG2-CB 3.88Å; C53-C88 VanDerWaalsContact SG-SG 3.67Å; H85-C88 HydrophobicContact CB-CB 4.06Å; H85-C88 WeakPolarHBondContact O-CB 3.46Å; H85-C88 PolarHBondContact O-N 3Å; N86-C88 VanDerWaalsContact C-N 3.34Å; N86-C88 PolarHBondContact O-N 3Å; C88-L91 PolarHBondContact O-N 3.49Å; C88-W92 PolarHBondContact O-N 3.48Å; C88-W92 VanDerWaalsContact O-N 3.09Å |
| 89 | M | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | -178.3 | -174.2 | 54.2 | 69.9 | 0 | 0 | 112.2 | I52 V76 F84 H85 N86 L91 W92 V93 P100 W106 | I52-M89 HydrophobicContact CD1-CE 4.1Å; V76-M89 HydrophobicContact CG1-CB 3.85Å; V76-M89 HydrophobicContact CG1-CG 4.24Å; F84-M89 HydrophobicContact CB-CB 4.24Å; F84-M89 HydrophobicContact CB-CE 3.96Å; F84-M89 HydrophobicContact CD1-CE 3.94Å; F84-M89 HydrophobicContact CD2-CE 3.07Å; F84-M89 HydrophobicContact CE1-CE 4.2Å; F84-M89 HydrophobicContact CE2-CE 3.39Å; F84-M89 HydrophobicContact CG-CE 3.37Å; F84-M89 HydrophobicContact CZ-CE 3.96Å; H85-M89 PolarHBondContact O-N 2.9Å; N86-M89 PolarHBondContact O-N 3.18Å; M89-L91 PolarHBondContact O-N 2.86Å; M89-W92 PolarHBondContact O-N 3.23Å; M89-W92 VanDerWaalsContact O-N 3.1Å; M89-W92 HydrophobicContact SD-CB 4.29Å; M89-W92 HydrophobicContact SD-CG 4.47Å; M89-V93 HydrophobicContact CG-CG2 4.1Å; M89-V93 WeakPolarHBondContact O-CG2 3.41Å; M89-V93 PolarHBondContact O-N 3.21Å; M89-V93 HydrophobicContact SD-CG2 3.74Å; M89-P100 HydrophobicContact CE-CG 4.22Å; M89-W106 HydrophobicContact CE-CD2 4.04Å; M89-W106 HydrophobicContact CE-CE3 3.94Å; M89-W106 HydrophobicContact CE-CH2 3.84Å; M89-W106 HydrophobicContact CE-CZ2 3.95Å; M89-W106 HydrophobicContact CE-CZ3 3.84Å; M89-W106 HydrophobicContact CG-CD2 4.17Å; M89-W106 VanDerWaalsContact CG-CE2 3.44Å; M89-W106 HydrophobicContact CG-CH2 4.37Å; M89-W106 HydrophobicContact CG-CZ2 3.57Å; M89-W106 HydrophobicContact SD-CD2 3.81Å; M89-W106 HydrophobicContact SD-CE3 4.29Å; M89-W106 HydrophobicContact SD-CG 4.14Å; M89-W106 HydrophobicContact SD-CZ2 4.14Å |
| 90 | S | 94.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.2 | -28.1 | 177.6 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | N86 K94 | N86-S90 WeakPolarHBondContact O-CB 3.12Å; N86-S90 PolarHBondContact O-N 3.02Å; N86-S90 PolarHBondContact O-OG 2.84Å; S90-K94 WeakPolarHBondContact O-CG 3.42Å |
| 91 | L | 94.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -83.4 | -37.6 | 173.9 | -69.1 | 173.1 | 0 | 0 | 0 | 112.1 | C87 C88 M89 K94 | C87-L91 WeakPolarHBondContact O-CG 3.46Å; C88-L91 PolarHBondContact O-N 3.49Å; M89-L91 PolarHBondContact O-N 2.86Å; L91-K94 PolarHBondContact O-N 3Å |
| 92 | W | 95.8 | Very high | 94.8 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 178.7 | -178.7 | -90 | 0 | 0 | 0 | 112.4 | I52 C88 M89 K94 Q95 N96 R98 P100 | I52-W92 HydrophobicContact CD1-CB 3.95Å; I52-W92 HydrophobicContact CD1-CG 4.26Å; I52-W92 HydrophobicContact CG1-CE3 4.38Å; C88-W92 PolarHBondContact O-N 3.48Å; C88-W92 VanDerWaalsContact O-N 3.09Å; M89-W92 PolarHBondContact O-N 3.23Å; M89-W92 VanDerWaalsContact O-N 3.1Å; M89-W92 HydrophobicContact SD-CB 4.29Å; M89-W92 HydrophobicContact SD-CG 4.47Å; W92-K94 PolarHBondContact O-N 3.22Å; W92-K94 VanDerWaalsContact O-N 3.1Å; W92-Q95 PolarHBondContact O-N 3.44Å; W92-N96 VanDerWaalsContact CD1-O 3.32Å; W92-N96 PolarHBondContact NE1-O 2.77Å; W92-N96 PolarHBondContact O-N 3.31Å; W92-R98 PolarHBondContact NE1-O 3.22Å; W92-P100 HydrophobicContact CD2-CG 4.06Å; W92-P100 HydrophobicContact CG-CG 4.32Å; W92-P100 HydrophobicContact CZ2-CB 4.16Å; W92-P100 HydrophobicContact CZ2-CG 4.04Å |
| 93 | V | 96 | Very high | 94.9 | Very high | 44 Ų | 44 | 61 Ų | 61 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.5 | -178.5 | 164.6 | 0 | 0 | 0 | 0 | 112.8 | M89 Q95 N96 N97 W106 | M89-V93 HydrophobicContact CG-CG2 4.1Å; M89-V93 WeakPolarHBondContact O-CG2 3.41Å; M89-V93 PolarHBondContact O-N 3.21Å; M89-V93 HydrophobicContact SD-CG2 3.74Å; V93-Q95 PolarHBondContact O-N 3.33Å; V93-N96 WeakPolarHBondContact CA-O 3.44Å; V93-N97 VanDerWaalsContact CG1-OD1 3.26Å; V93-N97 WeakPolarHBondContact CG1-OD1 3.37Å; V93-W106 HydrophobicContact CG2-CB 4.37Å; V93-W106 VanDerWaalsContact CG2-CD1 3.46Å; V93-W106 HydrophobicContact CG2-CG 3.99Å |
| 94 | K | 95.7 | Very high | 95 | Very high | 168 Ų | 168 | 66.2 Ų | 66.2 | 73% | 0.73 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.2 | 175.1 | -68 | 177.5 | -178.2 | -177.9 | 0 | 113.3 | S90 L91 W92 | S90-K94 WeakPolarHBondContact O-CG 3.42Å; L91-K94 PolarHBondContact O-N 3Å; W92-K94 PolarHBondContact O-N 3.22Å; W92-K94 VanDerWaalsContact O-N 3.1Å |
| 95 | Q | 94.6 | Very high | 95.1 | Very high | 182 Ų | 182 | 71 Ų | 71 | 85% | 0.85 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -37.5 | 179.4 | -64.7 | -178.3 | 7.8 | 0 | 0 | 112 | W92 V93 | W92-Q95 PolarHBondContact O-N 3.44Å; V93-Q95 PolarHBondContact O-N 3.33Å |
| 96 | N | 94.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | trans | -146.1 | 113.2 | -178.4 | -170.6 | -11.1 | 0 | 0 | 0 | 110.2 | W92 V93 R98 | W92-N96 VanDerWaalsContact CD1-O 3.32Å; W92-N96 PolarHBondContact NE1-O 2.77Å; W92-N96 PolarHBondContact O-N 3.31Å; V93-N96 WeakPolarHBondContact CA-O 3.44Å; N96-R98 PolarHBondContact O-N 2.94Å; N96-R98 WeakPolarHBondContact OD1-CB 3.43Å; N96-R98 WeakPolarHBondContact OD1-CG 3.42Å; N96-R98 PolarHBondContact OD1-N 3.29Å | ||
| 97 | N | 94.6 | Very high | 95.1 | Very high | 84 Ų | 84 | 72.7 Ų | 72.7 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | trans | -79.4 | 34.5 | -179.6 | -164.4 | 53.5 | 0 | 0 | 0 | 113.1 | V93 W106 | V93-N97 VanDerWaalsContact CG1-OD1 3.26Å; V93-N97 WeakPolarHBondContact CG1-OD1 3.37Å; N97-W106 PolarHBondContact O-N 3.38Å | ||
| 98 | R | 96.7 | Very high | 95.1 | Very high | 116 Ų | 116 | 74.6 Ų | 74.6 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 146.5 | 179.5 | -64 | -179.5 | -178 | -66.6 | -10.2 | 110.5 | W92 N96 Q103 Q104 D105 | W92-R98 PolarHBondContact NE1-O 3.22Å; N96-R98 PolarHBondContact O-N 2.94Å; N96-R98 WeakPolarHBondContact OD1-CB 3.43Å; N96-R98 WeakPolarHBondContact OD1-CG 3.42Å; N96-R98 PolarHBondContact OD1-N 3.29Å; R98-Q103 WeakPolarHBondContact CD-O 3.28Å; R98-Q103 PolarHBondContact NH1-O 3.4Å; R98-Q104 CarbonylContact C-O 3.52Å; R98-Q104 VanDerWaalsContact CA-O 3.24Å; R98-Q104 WeakPolarHBondContact CA-O 3.48Å; R98-D105 IonicContact CZ-OD1 3.39Å; R98-D105 IonicContact NH1-OD1 3.84Å; R98-D105 PolarHBondContact NH1-OD1 3.17Å; R98-D105 IonicContact NH2-OD1 2.88Å |
| 99 | C | 95.2 | Very high | 95 | Very high | 2 Ų | 2 | 78.8 Ų | 78.8 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | trans | -60.3 | 129.5 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | C80 H82 L101 C102 Q103 Q104 W106 | C80-C99 VanDerWaalsContact SG-SG 3.67Å; H82-C99 PolarHBondContact ND1-SG 3.36Å; C99-L101 PolarHBondContact O-N 3.08Å; C99-L101 VanDerWaalsContact O-N 3.16Å; C99-C102 VanDerWaalsContact CB-SG 3.52Å; C99-Q103 VanDerWaalsContact O-CA 3.26Å; C99-Q103 WeakPolarHBondContact O-CA 3.45Å; C99-Q103 PolarHBondContact O-N 3.48Å; C99-Q104 PolarHBondContact N-O 3.09Å; C99-W106 HydrophobicContact CB-CE3 4.06Å | ||
| 100 | P | 93.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 85.2 Ų | 85.2 | 25% | 0.253 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.1 | 176.9 | -23.4 | 30.2 | 0 | 0 | 0 | 115.2 | I52 F84 M89 W92 | I52-P100 HydrophobicContact CD1-CG 4.18Å; I52-P100 HydrophobicContact CG1-CG 4.05Å; F84-P100 HydrophobicContact CE1-CB 4.26Å; F84-P100 HydrophobicContact CE1-CG 3.91Å; F84-P100 HydrophobicContact CZ-CB 4.37Å; F84-P100 HydrophobicContact CZ-CG 4.01Å; M89-P100 HydrophobicContact CE-CG 4.22Å; W92-P100 HydrophobicContact CD2-CG 4.06Å; W92-P100 HydrophobicContact CG-CG 4.32Å; W92-P100 HydrophobicContact CZ2-CB 4.16Å; W92-P100 HydrophobicContact CZ2-CG 4.04Å |
| 101 | L | 92.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 87 Ų | 87 | 35% | 0.346 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -56 | -175.2 | -66.8 | 172.9 | 0 | 0 | 0 | 112.1 | A51 H82 F84 C99 | A51-L101 HydrophobicContact CB-CD2 3.97Å; A51-L101 HydrophobicContact CB-CG 4.37Å; H82-L101 HydrophobicContact CB-CD1 4.08Å; H82-L101 WeakPolarHBondContact CD2-CD1 3.46Å; F84-L101 HydrophobicContact CE1-CD1 4.28Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CZ-CD1 3.88Å; F84-L101 HydrophobicContact CZ-CG 4.04Å; C99-L101 PolarHBondContact O-N 3.08Å; C99-L101 VanDerWaalsContact O-N 3.16Å |
| 102 | C | 94 | Very high | 94.1 | Very high | 45 Ų | 45 | 84.7 Ų | 84.7 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6.1 | -177.4 | 63.1 | 0 | 0 | 0 | 0 | 115.7 | C99 Q104 | C99-C102 VanDerWaalsContact CB-SG 3.52Å; C102-Q104 HydrophobicContact CB-CG 4.39Å; C102-Q104 PolarHBondContact O-N 2.91Å; C102-Q104 PolarHBondContact SG-OE1 3.02Å; C102-Q104 VanDerWaalsContact SG-OE1 3.42Å |
| 103 | Q | 94.7 | Very high | 92.8 | Very high | 149 Ų | 149 | 93.1 Ų | 93.1 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | trans | 61 | 7.1 | -178 | -53 | 179.1 | 41.9 | 0 | 0 | 116 | R98 C99 | R98-Q103 WeakPolarHBondContact CD-O 3.28Å; R98-Q103 PolarHBondContact NH1-O 3.4Å; C99-Q103 VanDerWaalsContact O-CA 3.26Å; C99-Q103 WeakPolarHBondContact O-CA 3.45Å; C99-Q103 PolarHBondContact O-N 3.48Å | ||
| 104 | Q | 94.5 | Very high | 92.6 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -69.6 | 157.2 | 169.8 | -66.2 | 172.8 | -29.2 | 0 | 0 | 110.9 | R98 C99 C102 W106 | R98-Q104 CarbonylContact C-O 3.52Å; R98-Q104 VanDerWaalsContact CA-O 3.24Å; R98-Q104 WeakPolarHBondContact CA-O 3.48Å; C99-Q104 PolarHBondContact N-O 3.09Å; C102-Q104 HydrophobicContact CB-CG 4.39Å; C102-Q104 PolarHBondContact O-N 2.91Å; C102-Q104 PolarHBondContact SG-OE1 3.02Å; C102-Q104 VanDerWaalsContact SG-OE1 3.42Å; Q104-W106 PolarHBondContact O-N 2.76Å |
| 105 | D | 96.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 91.8 Ų | 91.8 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 130 | 176.7 | -63.4 | -27.5 | 0 | 0 | 0 | 109.9 | R98 V107 | R98-D105 IonicContact CZ-OD1 3.39Å; R98-D105 IonicContact NH1-OD1 3.84Å; R98-D105 PolarHBondContact NH1-OD1 3.17Å; R98-D105 IonicContact NH2-OD1 2.88Å; D105-V107 PolarHBondContact O-N 3.12Å |
| 106 | W | 96.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 86.8 Ų | 86.8 | 6% | 0.064 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -78 | 116.1 | -174.6 | 178.4 | -98.9 | 0 | 0 | 0 | 110.5 | V76 G78 F84 M89 V93 N97 C99 Q104 | V76-W106 HydrophobicContact CG1-CZ2 4.04Å; V76-W106 HydrophobicContact CG2-CZ2 4.09Å; G78-W106 VanDerWaalsContact CA-CH2 3.46Å; F84-W106 AromaticContact CD2-CH2 3.62Å; F84-W106 HydrophobicContact CD2-CH2 3.62Å; F84-W106 AromaticContact CD2-CZ3 3.83Å; F84-W106 HydrophobicContact CD2-CZ3 3.83Å; F84-W106 AromaticContact CE2-CH2 3.92Å; F84-W106 HydrophobicContact CE2-CH2 3.92Å; F84-W106 AromaticContact CE2-CZ3 3.61Å; F84-W106 HydrophobicContact CE2-CZ3 3.61Å; M89-W106 HydrophobicContact CE-CD2 4.04Å; M89-W106 HydrophobicContact CE-CE3 3.94Å; M89-W106 HydrophobicContact CE-CH2 3.84Å; M89-W106 HydrophobicContact CE-CZ2 3.95Å; M89-W106 HydrophobicContact CE-CZ3 3.84Å; M89-W106 HydrophobicContact CG-CD2 4.17Å; M89-W106 VanDerWaalsContact CG-CE2 3.44Å; M89-W106 HydrophobicContact CG-CH2 4.37Å; M89-W106 HydrophobicContact CG-CZ2 3.57Å; M89-W106 HydrophobicContact SD-CD2 3.81Å; M89-W106 HydrophobicContact SD-CE3 4.29Å; M89-W106 HydrophobicContact SD-CG 4.14Å; M89-W106 HydrophobicContact SD-CZ2 4.14Å; V93-W106 HydrophobicContact CG2-CB 4.37Å; V93-W106 VanDerWaalsContact CG2-CD1 3.46Å; V93-W106 HydrophobicContact CG2-CG 3.99Å; N97-W106 PolarHBondContact O-N 3.38Å; C99-W106 HydrophobicContact CB-CE3 4.06Å; Q104-W106 PolarHBondContact O-N 2.76Å |
| 107 | V | 95.9 | Very high | 92.2 | Very high | 64 Ų | 64 | 87.6 Ų | 87.6 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | trans | -125.8 | 128.5 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | G78 E79 D105 Q109 | G78-V107 CarbonylContact C-O 3.51Å; G78-V107 WeakPolarHBondContact CA-O 3.23Å; E79-V107 HydrophobicContact CG-CB 4.02Å; E79-V107 HydrophobicContact CG-CG1 3.98Å; E79-V107 PolarHBondContact N-O 2.96Å; D105-V107 PolarHBondContact O-N 3.12Å; V107-Q109 PolarHBondContact O-N 3.05Å | ||
| 108 | V | 95.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 87.8 Ų | 87.8 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 122 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | V76 I111 | V76-V108 HydrophobicContact CG2-CB 4.48Å; V76-V108 HydrophobicContact CG2-CG1 3.71Å; V76-V108 HydrophobicContact CG2-CG2 4.09Å; V108-I111 HydrophobicContact CG1-CD1 4.3Å; V108-I111 HydrophobicContact CG1-CG1 3.89Å |
| 109 | Q | 93.2 | Very high | 91.8 | Very high | 100 Ų | 100 | 85.9 Ų | 85.9 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -46.1 | 174.8 | -176.1 | -177.6 | -2.7 | 0 | 0 | 111.6 | W77 G78 E79 V107 | W77-Q109 PolarHBondContact O-N 2.76Å; G78-Q109 PolarHBondContact O-OE1 3.15Å; E79-Q109 HydrophobicContact CG-CB 4.15Å; V107-Q109 PolarHBondContact O-N 3.05Å |
| 110 | R | 92.2 | Very high | 91.5 | Very high | 138 Ų | 138 | 91.9 Ų | 91.9 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 152.9 | -179.3 | 57.5 | 175.3 | -167.8 | -159.1 | 1.1 | 111.7 | W77 | W77-R110 HydrophobicContact CB-CG 3.71Å; W77-R110 HydrophobicContact CD2-CG 3.96Å; W77-R110 VanDerWaalsContact CD2-NE 3.34Å; W77-R110 HydrophobicContact CE3-CG 3.65Å; W77-R110 HydrophobicContact CG-CG 4.01Å; W77-R110 HydrophobicContact CZ3-CG 4.48Å; W77-R110 PolarHBondContact N-O 3.05Å; W77-R110 PolarHBondContact O-N 2.99Å |
| 111 | I | 92.6 | Very high | 91.3 | Very high | 95 Ų | 95 | 96 Ų | 96 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.4 | 174.2 | -59.1 | 169.9 | 0 | 0 | 0 | 107.6 | V74 V76 V108 | V74-I111 HydrophobicContact CB-CG2 4.47Å; V74-I111 HydrophobicContact CG2-CG2 3.89Å; V76-I111 HydrophobicContact CG2-CG1 3.99Å; V108-I111 HydrophobicContact CG1-CD1 4.3Å; V108-I111 HydrophobicContact CG1-CG1 3.89Å |
| 112 | G | 82.2 | Confident | 91.2 | Very high | 21 Ų | 21 | 98.5 Ų | 98.5 | 22% | 0.216 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 110.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V74 V75 | V74-G112 WeakPolarHBondContact CB-O 3.46Å; V74-G112 VanDerWaalsContact CG1-O 3.3Å; V74-G112 WeakPolarHBondContact CG1-O 3.32Å; V75-G112 PolarHBondContact O-N 3.16Å |
| 113 | K | 67.7 | Low | 91 | Very high | 266 Ų | 266 | 103.4 Ų | 103.4 | 100% | 1.157 | 50% | 0.501 | S | S | * | . | trans | -98.1 | 0 | 165.4 | -72.9 | -175.1 | 177.7 | 178.3 | 0 | 109.3 |
Retrieved 113 of 113 residues in 70.6 ms
(Link to these results)