| 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 | 44.9 | Very low | 52.9 | Low | 243 Ų | 243 | 160.9 Ų | 160.9 | 100% | 1.197 | 82% | 0.824 | S | S | * | * | 0 | 89.5 | 0 | -69.1 | 160.4 | 72.2 | 0 | 0 | 107.3 | |||||
| 2 | M | 48.4 | Very low | 53.3 | Low | 192 Ų | 192 | 152.8 Ų | 152.8 | 95% | 0.946 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 121.3 | -179.1 | -91.4 | 162.2 | 70.8 | 0 | 0 | 108.6 | ||
| 3 | L | 54.2 | Low | 53.4 | Low | 148 Ų | 148 | 153.1 Ų | 153.1 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 141.9 | 168.4 | -102.1 | 86.9 | 0 | 0 | 0 | 109.9 | ||
| 4 | P | 55.2 | Low | 52.9 | Low | 99 Ų | 99 | 149.9 Ų | 149.9 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 116.3 | -177.2 | 32.4 | -31.1 | 0 | 0 | 0 | 111.4 | F6 | P4-F6 PolarHBondContact O-N 3.38Å; P4-F6 VanDerWaalsContact O-N 3.13Å |
| 5 | F | 53.8 | Low | 52.3 | Low | 187 Ų | 187 | 155.2 Ų | 155.2 | 82% | 0.82 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -78 | 24.7 | 171.8 | -73.9 | -80.6 | 0 | 0 | 0 | 113.8 | L7 | F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 3.18Å |
| 6 | F | 54.2 | Low | 52.3 | Low | 172 Ų | 172 | 152.8 Ų | 152.8 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -84.3 | -2.1 | -175.8 | -90.1 | -80.9 | 0 | 0 | 0 | 114.8 | P4 | P4-F6 PolarHBondContact O-N 3.38Å; P4-F6 VanDerWaalsContact O-N 3.13Å |
| 7 | L | 51.8 | Low | 51.8 | Low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -92 | -4.9 | -176.3 | -98.1 | 132.1 | 0 | 0 | 0 | 115.2 | F5 | F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 3.18Å |
| 8 | S | 51.9 | Low | 51.9 | Low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -92.3 | -0.3 | -176.3 | -54.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 9 | I | 55.6 | Low | 51.9 | Low | 139 Ų | 139 | 146.8 Ų | 146.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -94.9 | -8.6 | -177.6 | -61 | 170.6 | 0 | 0 | 0 | 112.5 | ||
| 10 | L | 54.5 | Low | 51.8 | Low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -87.7 | -5.7 | -176.7 | -105.5 | 101.9 | 0 | 0 | 0 | 115.9 | ||
| 11 | M | 57.4 | Low | 51.2 | Low | 181 Ų | 181 | 145.2 Ų | 145.2 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -124.5 | 66.6 | -173.9 | -65.4 | -71.3 | -88 | 0 | 0 | 111 | ||
| 12 | G | 58 | Low | 51.2 | Low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -176 | -1.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | P14 | G12-P14 WeakPolarHBondContact O-CD 3.32Š| ||
| 13 | L | 54 | Low | 51.4 | Low | 157 Ų | 157 | 136.6 Ų | 136.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -97.2 | 113.4 | 168.2 | -71.7 | 166.7 | 0 | 0 | 0 | 108.1 | W15 | L13-W15 PolarHBondContact O-N 3.3Š| ||
| 14 | P | 46.5 | Very low | 51.2 | Low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -60.6 | 116.4 | 169.2 | 25 | -30.1 | 0 | 0 | 0 | 107.4 | G12 V16 | G12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-V16 VanDerWaalsContact C-N 3.29Å; P14-V16 PolarHBondContact O-N 2.83Å | ||
| 15 | W | 44.7 | Very low | 50.6 | Low | 230 Ų | 230 | 132.9 Ų | 132.9 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | -57.2 | 100.6 | 160.3 | -108.5 | 40.1 | 0 | 0 | 0 | 106.5 | L13 D17 | L13-W15 PolarHBondContact O-N 3.3Å; W15-D17 PolarHBondContact O-N 2.96Å | ||
| 16 | V | 51.7 | Low | 50.2 | Low | 116 Ų | 116 | 131.3 Ų | 131.3 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -83.3 | 100.8 | 164 | 177.3 | 0 | 0 | 0 | 0 | 104.7 | P14 T18 | P14-V16 VanDerWaalsContact C-N 3.29Å; P14-V16 PolarHBondContact O-N 2.83Å; V16-T18 HydrophobicContact CG1-CG2 4.49Å; V16-T18 PolarHBondContact O-N 2.82Å | ||
| 17 | D | 44.3 | Very low | 49.6 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | trans | -61.3 | 102.5 | 166.6 | -70.4 | -44.3 | 0 | 0 | 0 | 107.5 | W15 S19 | W15-D17 PolarHBondContact O-N 2.96Å; D17-S19 VanDerWaalsContact C-N 3.25Å; D17-S19 PolarHBondContact O-N 2.87Å | ||
| 18 | T | 54 | Low | 49.2 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | trans | -74.1 | 88.4 | 167.2 | 48.2 | 0 | 0 | 0 | 0 | 107.4 | V16 I20 | V16-T18 HydrophobicContact CG1-CG2 4.49Å; V16-T18 PolarHBondContact O-N 2.82Å; T18-I20 PolarHBondContact O-N 3.49Å | ||
| 19 | S | 50.4 | Low | 48.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -66.2 | 87.4 | 163.2 | 53.9 | 0 | 0 | 0 | 0 | 108.5 | D17 N21 | D17-S19 VanDerWaalsContact C-N 3.25Å; D17-S19 PolarHBondContact O-N 2.87Å; S19-N21 VanDerWaalsContact C-N 3.28Å; S19-N21 PolarHBondContact O-N 3.24Å | ||
| 20 | I | 50 | Low | 48.4 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | trans | -70.1 | 96 | 163.5 | -60 | 172 | 0 | 0 | 0 | 105.3 | T18 N22 | T18-I20 PolarHBondContact O-N 3.49Å; I20-N22 HydrophobicContact CG2-CB 4.21Å; I20-N22 PolarHBondContact O-N 2.89Å | ||
| 21 | N | 39.3 | Very low | 47.8 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | trans | -72.4 | 72.2 | 169.5 | -174.4 | 22.1 | 0 | 0 | 0 | 109.5 | S19 T23 | S19-N21 VanDerWaalsContact C-N 3.28Å; S19-N21 PolarHBondContact O-N 3.24Å; N21-T23 VanDerWaalsContact C-N 3.34Å; N21-T23 PolarHBondContact O-N 2.81Å; N21-T23 PolarHBondContact OD1-OG1 3.16Å | ||
| 22 | N | 45.8 | Very low | 47.5 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | trans | -93.5 | 77.1 | 158.4 | -80 | 2 | 0 | 0 | 0 | 107.2 | I20 S24 | I20-N22 HydrophobicContact CG2-CB 4.21Å; I20-N22 PolarHBondContact O-N 2.89Å; N22-S24 PolarHBondContact O-N 2.97Å | ||
| 23 | T | 51.5 | Low | 47.1 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -71.9 | 79.9 | 157.2 | 13.6 | 0 | 0 | 0 | 0 | 108.3 | N21 | N21-T23 VanDerWaalsContact C-N 3.34Å; N21-T23 PolarHBondContact O-N 2.81Å; N21-T23 PolarHBondContact OD1-OG1 3.16Å | ||
| 24 | S | 50.6 | Low | 46.9 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -124 | 102.3 | 150.5 | 52.1 | 0 | 0 | 0 | 0 | 105 | N22 L26 | N22-S24 PolarHBondContact O-N 2.97Å; S24-L26 PolarHBondContact O-N 3.13Å | ||
| 25 | G | 43.1 | Very low | 47 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -47.5 | 129.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V27 | G25-V27 PolarHBondContact O-N 2.79Š| ||
| 26 | L | 44.5 | Very low | 47.1 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -65 | 86.7 | 162.5 | -73.6 | 163.3 | 0 | 0 | 0 | 108.2 | S24 F28 | S24-L26 PolarHBondContact O-N 3.13Å; L26-F28 HydrophobicContact CB-CD2 4.45Å; L26-F28 HydrophobicContact CB-CE2 4.47Å; L26-F28 HydrophobicContact CD2-CE2 4.34Å | ||
| 27 | V | 42.4 | Very low | 47.2 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -85.6 | 106 | 151.3 | -178.6 | 0 | 0 | 0 | 0 | 105 | G25 D29 | G25-V27 PolarHBondContact O-N 2.79Å; V27-D29 WeakPolarHBondContact CG1-OD1 3.37Å; V27-D29 PolarHBondContact O-N 2.89Å | ||
| 28 | F | 44.1 | Very low | 47.8 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -69.5 | 86.4 | 168.5 | -89.5 | -91 | 0 | 0 | 0 | 108.2 | L26 | L26-F28 HydrophobicContact CB-CD2 4.45Å; L26-F28 HydrophobicContact CB-CE2 4.47Å; L26-F28 HydrophobicContact CD2-CE2 4.34Å | ||
| 29 | D | 40.6 | Very low | 48.1 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | trans | -84.4 | 118.6 | 161.4 | -69 | -31.3 | 0 | 0 | 0 | 107.6 | V27 T31 | V27-D29 WeakPolarHBondContact CG1-OD1 3.37Å; V27-D29 PolarHBondContact O-N 2.89Å; D29-T31 PolarHBondContact O-N 3.29Å | ||
| 30 | N | 48.3 | Very low | 48.6 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -71.5 | 58.8 | -175.3 | -68 | -20.6 | 0 | 0 | 0 | 112.6 | ||||
| 31 | T | 43.7 | Very low | 49.1 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -128 | 94.9 | 177.1 | 39.5 | 0 | 0 | 0 | 0 | 110.2 | D29 G33 | D29-T31 PolarHBondContact O-N 3.29Å; T31-G33 PolarHBondContact O-N 3.22Å | ||
| 32 | T | 50.7 | Low | 50.4 | Low | 162 Ų | 162 | 133 Ų | 133 | 99% | 0.994 | 77% | 0.77 | S | S | * | * | trans | -75.7 | 44.7 | 179.9 | -18.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 33 | G | 48.6 | Very low | 51.2 | Low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -143.9 | 28.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | T31 | T31-G33 PolarHBondContact O-N 3.22Š|
| 34 | G | 50.1 | Low | 52.1 | Low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -171.8 | 38.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 35 | L | 49.3 | Very low | 53.1 | Low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -94 | 6 | 178.4 | -165.1 | 57.8 | 0 | 0 | 0 | 113.8 | ||||
| 36 | D | 46 | Very low | 55 | Low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -94.6 | -2.9 | -171.3 | -57 | -22.9 | 0 | 0 | 0 | 113.9 | ||
| 37 | N | 54.3 | Low | 57.1 | Low | 156 Ų | 156 | 130.1 Ų | 130.1 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -112.7 | 18.1 | -170.2 | -70.9 | -10.3 | 0 | 0 | 0 | 115.5 | ||
| 38 | A | 56.1 | Low | 59.5 | Low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | -131.3 | 39 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 39 | I | 61.1 | Low | 61.9 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -133.5 | 62.9 | 158 | -46 | 174.5 | 0 | 0 | 0 | 108.5 | P41 | I39-P41 WeakPolarHBondContact O-CD 3.31Š| ||
| 40 | E | 61.2 | Low | 64.6 | Low | 183 Ų | 183 | 122.8 Ų | 122.8 | 86% | 0.855 | 67% | 0.665 | S | S | * | * | trans | -68.8 | 122 | 161 | -106.3 | -175.1 | 163.4 | 0 | 0 | 107.7 | R42 | E40-R42 PolarHBondContact O-N 2.92Š| ||
| 41 | P | 60.1 | Low | 66.8 | Low | 86 Ų | 86 | 116.7 Ų | 116.7 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | trans | -62.5 | 116.6 | 175.5 | 25.2 | -31.3 | 0 | 0 | 0 | 108.2 | I39 W43 | I39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-W43 PolarHBondContact O-N 2.79Å | ||
| 42 | R | 66.1 | Low | 69.3 | Low | 253 Ų | 253 | 112 Ų | 112 | 96% | 0.955 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -57.1 | -4.2 | 178 | -177.1 | 169.9 | 147.1 | 175.6 | -5.9 | 114.2 | E40 | E40-R42 PolarHBondContact O-N 2.92Š|
| 43 | W | 63 | Low | 71.4 | Confident | 179 Ų | 179 | 109.4 Ų | 109.4 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -143.9 | 129.6 | 176.6 | 62.2 | -77.8 | 0 | 0 | 0 | 109.3 | P41 P45 | P41-W43 PolarHBondContact O-N 2.79Å; W43-P45 HydrophobicContact CE3-CB 4.18Å; W43-P45 HydrophobicContact CH2-CB 4.28Å; W43-P45 HydrophobicContact CZ3-CB 3.54Å; W43-P45 HydrophobicContact CZ3-CG 4.09Å |
| 44 | T | 71.5 | Confident | 73.7 | Confident | 94 Ų | 94 | 109.1 Ų | 109.1 | 58% | 0.577 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 117 | 168.9 | 22.9 | 0 | 0 | 0 | 0 | 109.2 | Q46 M68 | T44-Q46 PolarHBondContact O-N 2.81Å; T44-Q46 VanDerWaalsContact O-N 3.12Å; T44-M68 HydrophobicContact CG2-CE 3.75Å |
| 45 | P | 71.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 110.8 Ų | 110.8 | 42% | 0.416 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 117.1 | 175.6 | 18.5 | -28.7 | 0 | 0 | 0 | 110.5 | W43 | W43-P45 HydrophobicContact CE3-CB 4.18Å; W43-P45 HydrophobicContact CH2-CB 4.28Å; W43-P45 HydrophobicContact CZ3-CB 3.54Å; W43-P45 HydrophobicContact CZ3-CG 4.09Å |
| 46 | Q | 82.2 | Confident | 78.1 | Confident | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 117.9 | 171.4 | -164.6 | 176.1 | 24.7 | 0 | 0 | 110.1 | T44 Y65 C66 | T44-Q46 PolarHBondContact O-N 2.81Å; T44-Q46 VanDerWaalsContact O-N 3.12Å; Q46-Y65 HydrophobicContact CG-CD1 4.01Å; Q46-C66 PolarHBondContact NE2-O 2.81Å |
| 47 | M | 89.2 | Confident | 80.5 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 35% | 0.35 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -76 | 146.8 | 178.2 | -80.3 | -67.4 | -86 | 0 | 0 | 111.9 | C66 R71 | M47-C66 HydrophobicContact CB-CB 4.27Å; M47-C66 PolarHBondContact O-N 2.76Å; M47-R71 WeakPolarHBondContact CE-O 3.37Å |
| 48 | R | 93.4 | Very high | 82.4 | Confident | 158 Ų | 158 | 100.8 Ų | 100.8 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.6 | 172.9 | -70.6 | -174.5 | -71 | 176.8 | 0.3 | 109.6 | I63 H64 Y65 | R48-I63 HydrophobicContact CB-CG2 3.89Å; R48-I63 HydrophobicContact CG-CG2 4.47Å; R48-H64 WeakPolarHBondContact CA-O 3.38Å; R48-Y65 HydrophobicContact CG-CD1 3.51Å; R48-Y65 HydrophobicContact CG-CE1 3.49Å; R48-Y65 VanDerWaalsContact CG-CE1 3.49Å; R48-Y65 HydrophobicContact CG-CG 4.19Å |
| 49 | C | 94.2 | Very high | 84.3 | Confident | 4 Ų | 4 | 104.9 Ų | 104.9 | 3% | 0.027 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.5 | -177.3 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | I63 H64 C66 C73 | C49-I63 CarbonylContact O-C 3.59Å; C49-I63 WeakPolarHBondContact O-CA 3.49Å; C49-H64 PolarHBondContact N-O 2.8Å; C49-H64 PolarHBondContact O-N 2.88Å; C49-C66 PolarHBondContact SG-SG 3.45Å; C49-C73 VanDerWaalsContact CA-SG 3.6Å; C49-C73 HydrophobicContact CB-CB 3.76Å; C49-C73 WeakPolarHBondContact CB-SG 3.28Å; C49-C73 WeakPolarHBondContact SG-CA 3.44Å; C49-C73 WeakPolarHBondContact SG-CB 3.43Å; C49-C73 CovalentContact SG-SG 2.02Å; C49-C73 PolarHBondContact SG-SG 2.89Å |
| 50 | H | 95.8 | Very high | 85.9 | Confident | 81 Ų | 81 | 97.4 Ų | 97.4 | 38% | 0.375 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.6 | 166.6 | -69.8 | -76.7 | 0 | 0 | 0 | 110 | C60 H62 K89 H90 | H50-C60 PolarHBondContact CE1-O 3.39Å; H50-C60 PolarHBondContact ND1-O 3.42Å; H50-H62 CarbonylContact C-O 3.59Å; H50-H62 VanDerWaalsContact CA-O 3.25Å; H50-H62 WeakPolarHBondContact CA-O 3.33Å; H50-K89 HydrophobicContact CB-CB 4.36Å; H50-K89 HydrophobicContact CB-CD 3.91Å; H50-K89 CarbonylContact O-C 3.32Å; H50-K89 VanDerWaalsContact O-CB 3.23Å; H50-K89 WeakPolarHBondContact O-CB 3.39Å; H50-H90 PolarHBondContact O-N 3.13Å |
| 51 | S | 95.9 | Very high | 87.5 | Confident | 23 Ų | 23 | 92.7 Ų | 92.7 | 16% | 0.161 | 44% | 0.44 | C | S | . | . | trans | -126.2 | 107.2 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | H62 K89 H90 | S51-H62 PolarHBondContact N-O 2.81Å; S51-H62 PolarHBondContact O-ND1 2.78Å; S51-K89 VanDerWaalsContact CA-O 3.29Å; S51-K89 WeakPolarHBondContact CA-O 3.46Å; S51-H90 PolarHBondContact OG-CE1 2.77Å; S51-H90 PolarHBondContact OG-ND1 3.12Å | ||
| 52 | C | 95.3 | Very high | 89.2 | Confident | 20 Ų | 20 | 93.9 Ų | 93.9 | 14% | 0.135 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 165.1 | -173 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | E54 C60 K89 | C52-E54 HydrophobicContact CB-CG 4.33Å; C52-C60 HydrophobicContact CB-CB 3.89Å; C52-C60 WeakPolarHBondContact CB-SG 3.24Å; C52-C60 WeakPolarHBondContact SG-CB 3.31Å; C52-C60 CovalentContact SG-SG 2Å; C52-C60 PolarHBondContact SG-SG 2.84Å; C52-K89 PolarHBondContact N-O 2.81Å; C52-K89 PolarHBondContact O-N 3.34Å |
| 53 | Q | 95.4 | Very high | 90.6 | Very high | 108 Ų | 108 | 86.3 Ų | 86.3 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 111.9 | 174.7 | 178.9 | -174.8 | -45.3 | 0 | 0 | 107.9 | Y86 V87 Y88 | Q53-Y86 VanDerWaalsContact CD-CZ 3.43Å; Q53-Y86 HydrophobicContact CG-CE1 3.93Å; Q53-Y86 HydrophobicContact CG-CE2 3.82Å; Q53-Y86 VanDerWaalsContact CG-OH 3.24Å; Q53-Y86 WeakPolarHBondContact CG-OH 2.87Å; Q53-Y86 PolarHBondContact NE2-OH 2.04Å; Q53-Y86 PolarHBondContact OE1-OH 3.43Å; Q53-Y86 VanDerWaalsContact OE1-OH 3.13Å; Q53-V87 CarbonylContact C-O 3.58Å; Q53-V87 WeakPolarHBondContact CA-O 3.05Å; Q53-Y88 HydrophobicContact CB-CD2 4.36Å |
| 54 | E | 96.5 | Very high | 92.1 | Very high | 71 Ų | 71 | 81.8 Ų | 81.8 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 155.4 | -170.8 | -65.9 | -61.7 | 161.8 | 0 | 0 | 111.6 | C52 T57 V87 | C52-E54 HydrophobicContact CB-CG 4.33Å; E54-T57 HydrophobicContact CB-CG2 3.93Å; E54-T57 HydrophobicContact CG-CG2 4.4Å; E54-V87 PolarHBondContact N-O 2.83Å; E54-V87 PolarHBondContact O-N 3Å |
| 55 | H | 96.5 | Very high | 93.1 | Very high | 105 Ų | 105 | 83.2 Ų | 83.2 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.1 | 177.5 | -56.6 | 147.8 | 0 | 0 | 0 | 110.4 | T57 L84 L85 Y86 | H55-T57 PolarHBondContact O-N 2.72Å; H55-L84 HydrophobicContact CB-CD1 4.28Å; H55-L85 CarbonylContact C-O 3.53Å; H55-L85 WeakPolarHBondContact CA-O 3.48Å; H55-Y86 AromaticContact CD2-CD2 3.33Å; H55-Y86 WeakPolarHBondContact CD2-CD2 3.29Å; H55-Y86 AromaticContact CD2-CE2 3.77Å; H55-Y86 AromaticContact NE2-CD2 3.34Å; H55-Y86 VanDerWaalsContact NE2-CD2 3.34Å; H55-Y86 WeakPolarHBondContact NE2-CD2 3.23Å; H55-Y86 AromaticContact NE2-CE2 3.31Å; H55-Y86 VanDerWaalsContact NE2-CE2 3.31Å; H55-Y86 WeakPolarHBondContact NE2-CE2 2.85Å |
| 56 | N | 95.8 | Very high | 94.1 | Very high | 99 Ų | 99 | 80.2 Ų | 80.2 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 59.8 | 8.9 | 176.9 | -63.4 | -30.8 | 0 | 0 | 0 | 115.5 | R83 L84 L85 | N56-R83 PolarHBondContact ND2-O 2.02Å; N56-R83 PolarHBondContact OD1-O 2.82Å; N56-L84 WeakPolarHBondContact OD1-CA 3.42Å; N56-L85 PolarHBondContact N-O 2.89Å; N56-L85 PolarHBondContact OD1-N 3.43Å |
| 57 | T | 95.1 | Very high | 94.5 | Very high | 53 Ų | 53 | 80.8 Ų | 80.8 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | trans | -142.5 | 147.8 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | E54 H55 Y59 V87 | E54-T57 HydrophobicContact CB-CG2 3.93Å; E54-T57 HydrophobicContact CG-CG2 4.4Å; H55-T57 PolarHBondContact O-N 2.72Å; T57-Y59 WeakPolarHBondContact OG1-CB 3.34Å; T57-Y59 PolarHBondContact OG1-N 2.85Å; T57-Y59 VanDerWaalsContact OG1-N 3.11Å; T57-V87 WeakPolarHBondContact O-CB 3.45Å; T57-V87 WeakPolarHBondContact O-CG2 3.05Å | ||
| 58 | F | 95.2 | Very high | 94.2 | Very high | 108 Ų | 108 | 82.3 Ų | 82.3 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -96.8 | -4.6 | 171 | -70.2 | -88.9 | 0 | 0 | 0 | 112.7 | C60 A77 L85 V87 K89 | F58-C60 PolarHBondContact O-N 3.42Å; F58-A77 HydrophobicContact CE1-CB 3.66Å; F58-A77 HydrophobicContact CZ-CB 3.8Å; F58-L85 HydrophobicContact CD2-CD2 4.44Å; F58-L85 HydrophobicContact CE2-CD2 3.58Å; F58-L85 HydrophobicContact CZ-CD2 3.82Å; F58-V87 HydrophobicContact CD1-CG1 3.74Å; F58-V87 HydrophobicContact CD1-CG2 3.91Å; F58-V87 HydrophobicContact CE1-CG1 4.13Å; F58-V87 HydrophobicContact CE1-CG2 3.84Å; F58-V87 HydrophobicContact CE2-CG2 4.45Å; F58-V87 HydrophobicContact CG-CG1 4.48Å; F58-V87 HydrophobicContact CG-CG2 4.26Å; F58-V87 HydrophobicContact CZ-CG2 4.12Å; F58-K89 PolarHBondContact O-NZ 3.48Å | ||
| 59 | Y | 95.9 | Very high | 93.7 | Very high | 169 Ų | 169 | 80.8 Ų | 80.8 | 66% | 0.663 | 40% | 0.396 | S | S | * | . | trans | -72.3 | 123.9 | -178.9 | 179.2 | -103.9 | 0 | 0 | 0 | 110.1 | T57 P61 | T57-Y59 WeakPolarHBondContact OG1-CB 3.34Å; T57-Y59 PolarHBondContact OG1-N 2.85Å; T57-Y59 VanDerWaalsContact OG1-N 3.11Å; Y59-P61 HydrophobicContact CE1-CG 4.16Å | ||
| 60 | C | 94.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 81.4 Ų | 81.4 | 5% | 0.054 | 40% | 0.399 | C | S | . | . | trans | -157.6 | 102.4 | -177.2 | 161.5 | 0 | 0 | 0 | 0 | 109 | H50 C52 F58 H62 | H50-C60 PolarHBondContact CE1-O 3.39Å; H50-C60 PolarHBondContact ND1-O 3.42Å; C52-C60 HydrophobicContact CB-CB 3.89Å; C52-C60 WeakPolarHBondContact CB-SG 3.24Å; C52-C60 WeakPolarHBondContact SG-CB 3.31Å; C52-C60 CovalentContact SG-SG 2Å; C52-C60 PolarHBondContact SG-SG 2.84Å; F58-C60 PolarHBondContact O-N 3.42Å; C60-H62 VanDerWaalsContact C-N 3.32Å | ||
| 61 | P | 94.7 | Very high | 92.8 | Very high | 84 Ų | 84 | 83.4 Ų | 83.4 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | trans | -82.4 | -12.5 | -175.6 | 31.9 | -34.4 | 0 | 0 | 0 | 113 | Y59 I63 | Y59-P61 HydrophobicContact CE1-CG 4.16Å; P61-I63 PolarHBondContact O-N 2.74Å | ||
| 62 | H | 95.6 | Very high | 92.3 | Very high | 111 Ų | 111 | 84 Ų | 84 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | trans | -73.7 | 117.4 | -174.6 | -173.4 | -107.2 | 0 | 0 | 0 | 111.4 | H50 S51 C60 | H50-H62 CarbonylContact C-O 3.59Å; H50-H62 VanDerWaalsContact CA-O 3.25Å; H50-H62 WeakPolarHBondContact CA-O 3.33Å; S51-H62 PolarHBondContact N-O 2.81Å; S51-H62 PolarHBondContact O-ND1 2.78Å; C60-H62 VanDerWaalsContact C-N 3.32Å | ||
| 63 | I | 95.2 | Very high | 92.1 | Very high | 94 Ų | 94 | 85.9 Ų | 85.9 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.2 | 179.2 | -62.7 | 168.2 | 0 | 0 | 0 | 108.5 | R48 C49 P61 | R48-I63 HydrophobicContact CB-CG2 3.89Å; R48-I63 HydrophobicContact CG-CG2 4.47Å; C49-I63 CarbonylContact O-C 3.59Å; C49-I63 WeakPolarHBondContact O-CA 3.49Å; P61-I63 PolarHBondContact O-N 2.74Å |
| 64 | H | 94.6 | Very high | 91.8 | Very high | 84 Ų | 84 | 82.2 Ų | 82.2 | 39% | 0.389 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146.1 | 179.4 | -172.1 | -95.9 | 0 | 0 | 0 | 110.4 | R48 C49 | R48-H64 WeakPolarHBondContact CA-O 3.38Å; C49-H64 PolarHBondContact N-O 2.8Å; C49-H64 PolarHBondContact O-N 2.88Å |
| 65 | Y | 94.3 | Very high | 91.6 | Very high | 124 Ų | 124 | 82.7 Ų | 82.7 | 49% | 0.486 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.8 | 173.9 | -72.1 | -88.8 | 0 | 0 | 0 | 109.8 | Q46 R48 | Q46-Y65 HydrophobicContact CG-CD1 4.01Å; R48-Y65 HydrophobicContact CG-CD1 3.51Å; R48-Y65 HydrophobicContact CG-CE1 3.49Å; R48-Y65 VanDerWaalsContact CG-CE1 3.49Å; R48-Y65 HydrophobicContact CG-CG 4.19Å |
| 66 | C | 92.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 157.7 | 178 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | Q46 M47 C49 I70 C91 | Q46-C66 PolarHBondContact NE2-O 2.81Å; M47-C66 HydrophobicContact CB-CB 4.27Å; M47-C66 PolarHBondContact O-N 2.76Å; C49-C66 PolarHBondContact SG-SG 3.45Å; C66-I70 HydrophobicContact CB-CB 3.9Å; C66-I70 HydrophobicContact CB-CG2 3.97Å; C66-C91 WeakPolarHBondContact CA-SG 3.28Å; C66-C91 HydrophobicContact CB-CB 3.72Å; C66-C91 WeakPolarHBondContact CB-SG 3.39Å; C66-C91 WeakPolarHBondContact SG-CB 3.25Å; C66-C91 CovalentContact SG-SG 2.04Å; C66-C91 PolarHBondContact SG-SG 3.04Å |
| 67 | D | 90.5 | Very high | 91.1 | Very high | 119 Ų | 119 | 76.8 Ų | 76.8 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 161.9 | 171.2 | -66.2 | -28.5 | 0 | 0 | 0 | 111.4 | I70 | D67-I70 HydrophobicContact CB-CD1 3.9Å; D67-I70 HydrophobicContact CB-CG1 4.19Å; D67-I70 WeakPolarHBondContact O-CB 3.33Å; D67-I70 PolarHBondContact O-N 3.11Å; D67-I70 VanDerWaalsContact O-N 3.16Å |
| 68 | M | 82.1 | Confident | 91 | Very high | 103 Ų | 103 | 78.6 Ų | 78.6 | 51% | 0.507 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 143.1 | 171.8 | -56.9 | -63.1 | -77.5 | 0 | 0 | 109.8 | T44 I70 | T44-M68 HydrophobicContact CG2-CE 3.75Å; M68-I70 PolarHBondContact O-N 2.99Å; M68-I70 VanDerWaalsContact O-N 3.13Å |
| 69 | D | 82.2 | Confident | 90.9 | Very high | 126 Ų | 126 | 81.7 Ų | 81.7 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -3.6 | -176.7 | -44.8 | -42.6 | 0 | 0 | 0 | 116.1 | R71 | D69-R71 PolarHBondContact O-N 3.46Š|
| 70 | I | 86.3 | Confident | 90.8 | Very high | 17 Ų | 17 | 78.1 Ų | 78.1 | 9% | 0.087 | 40% | 0.397 | C | S | . | . | trans | -87.1 | 111.6 | 173 | -56.2 | -171.4 | 0 | 0 | 0 | 110.2 | C66 D67 M68 C91 T92 K93 | C66-I70 HydrophobicContact CB-CB 3.9Å; C66-I70 HydrophobicContact CB-CG2 3.97Å; D67-I70 HydrophobicContact CB-CD1 3.9Å; D67-I70 HydrophobicContact CB-CG1 4.19Å; D67-I70 WeakPolarHBondContact O-CB 3.33Å; D67-I70 PolarHBondContact O-N 3.11Å; D67-I70 VanDerWaalsContact O-N 3.16Å; M68-I70 PolarHBondContact O-N 2.99Å; M68-I70 VanDerWaalsContact O-N 3.13Å; I70-C91 HydrophobicContact CD1-CB 4.36Å; I70-C91 HydrophobicContact CG2-CB 3.96Å; I70-T92 VanDerWaalsContact CG2-O 3.27Å; I70-T92 WeakPolarHBondContact CG2-O 3.4Å; I70-K93 HydrophobicContact CD1-CG 4.19Å; I70-K93 HydrophobicContact CG1-CD 4.35Å; I70-K93 HydrophobicContact CG1-CG 3.73Å | ||
| 71 | R | 84.8 | Confident | 90.8 | Very high | 123 Ų | 123 | 81.6 Ų | 81.6 | 46% | 0.464 | 42% | 0.415 | S | S | . | . | trans | -109.9 | 9.5 | -177.5 | -60.4 | -171.7 | -175.4 | 168.7 | 6.9 | 114.5 | M47 D69 | M47-R71 WeakPolarHBondContact CE-O 3.37Å; D69-R71 PolarHBondContact O-N 3.46Å | ||
| 72 | R | 86.6 | Confident | 90.8 | Very high | 36 Ų | 36 | 84.7 Ų | 84.7 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141.4 | -171.7 | -53.2 | -179.4 | -177.3 | 97.2 | 2.9 | 112 | T92 K93 E106 | R72-T92 HydrophobicContact CB-CG2 4.3Å; R72-T92 WeakPolarHBondContact CB-O 3.4Å; R72-T92 PolarHBondContact O-N 2.83Å; R72-K93 PolarHBondContact NH1-O 2.96Å; R72-E106 IonicContact CZ-OE1 3.27Å; R72-E106 VanDerWaalsContact CZ-OE1 3.27Å; R72-E106 IonicContact NH1-OE1 2.72Å; R72-E106 PolarHBondContact NH1-OE1 3.49Å; R72-E106 IonicContact NH2-OE1 2.84Å; R72-E106 PolarHBondContact NH2-OE1 2.97Å |
| 73 | C | 89.9 | Confident | 90.7 | Very high | 60 Ų | 60 | 89.8 Ų | 89.8 | 41% | 0.405 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.5 | 169.1 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | C49 | C49-C73 VanDerWaalsContact CA-SG 3.6Å; C49-C73 HydrophobicContact CB-CB 3.76Å; C49-C73 WeakPolarHBondContact CB-SG 3.28Å; C49-C73 WeakPolarHBondContact SG-CA 3.44Å; C49-C73 WeakPolarHBondContact SG-CB 3.43Å; C49-C73 CovalentContact SG-SG 2.02Å; C49-C73 PolarHBondContact SG-SG 2.89Å |
| 74 | L | 89.9 | Confident | 90.7 | Very high | 31 Ų | 31 | 88.1 Ų | 88.1 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.3 | 171.9 | -176.1 | 61.7 | 0 | 0 | 0 | 109.8 | V76 Y88 K89 H90 T92 | L74-V76 HydrophobicContact CD1-CG2 3.68Å; L74-V76 HydrophobicContact CD2-CG2 4Å; L74-V76 HydrophobicContact CG-CG2 3.81Å; L74-Y88 HydrophobicContact CD2-CD1 4.25Å; L74-Y88 HydrophobicContact CD2-CE1 4.11Å; L74-K89 VanDerWaalsContact O-CA 3.28Å; L74-K89 WeakPolarHBondContact O-CA 3.06Å; L74-H90 WeakPolarHBondContact CB-O 3.36Å; L74-H90 PolarHBondContact N-O 3.44Å; L74-H90 PolarHBondContact O-N 2.94Å; L74-H90 VanDerWaalsContact O-N 3.16Å; L74-T92 HydrophobicContact CB-CG2 3.7Å; L74-T92 HydrophobicContact CD1-CG2 4.4Å; L74-T92 HydrophobicContact CG-CG2 4.49Å |
| 75 | T | 91.6 | Very high | 90.8 | Very high | 81 Ų | 81 | 86.1 Ų | 86.1 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 117.6 | 161.9 | -65.4 | 0 | 0 | 0 | 0 | 108 | Y88 K89 | T75-Y88 CarbonylContact C-O 3.55Å; T75-Y88 WeakPolarHBondContact CA-O 3.43Å; T75-K89 HydrophobicContact CG2-CD 4.42Å; T75-K89 HydrophobicContact CG2-CG 4.04Å |
| 76 | V | 91.1 | Very high | 90.8 | Very high | 29 Ų | 29 | 83.4 Ų | 83.4 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.2 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 107.9 | L74 I78 V87 Y88 F97 | L74-V76 HydrophobicContact CD1-CG2 3.68Å; L74-V76 HydrophobicContact CD2-CG2 4Å; L74-V76 HydrophobicContact CG-CG2 3.81Å; V76-I78 HydrophobicContact CG1-CD1 3.69Å; V76-I78 HydrophobicContact CG1-CG1 3.66Å; V76-V87 CarbonylContact O-C 3.56Å; V76-V87 WeakPolarHBondContact O-CA 3.42Å; V76-Y88 PolarHBondContact N-O 3.3Å; V76-Y88 PolarHBondContact O-N 3.04Å; V76-F97 HydrophobicContact CG2-CE2 4.39Å |
| 77 | A | 92.1 | Very high | 91 | Very high | 50 Ų | 50 | 83.4 Ų | 83.4 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 113.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | F58 L85 Y86 V87 | F58-A77 HydrophobicContact CE1-CB 3.66Å; F58-A77 HydrophobicContact CZ-CB 3.8Å; A77-L85 HydrophobicContact CB-CD1 4.29Å; A77-Y86 CarbonylContact C-O 3.52Å; A77-Y86 VanDerWaalsContact CA-O 3.28Å; A77-Y86 WeakPolarHBondContact CA-O 3.05Å; A77-V87 HydrophobicContact CB-CG2 4.29Å |
| 78 | I | 92.3 | Very high | 91.2 | Very high | 92 Ų | 92 | 81.7 Ų | 81.7 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.1 | -176 | -60.7 | 164 | 0 | 0 | 0 | 108.3 | V76 V80 Y86 | V76-I78 HydrophobicContact CG1-CD1 3.69Å; V76-I78 HydrophobicContact CG1-CG1 3.66Å; I78-V80 HydrophobicContact CG2-CG2 4.18Å; I78-V80 PolarHBondContact O-N 3.16Å; I78-Y86 PolarHBondContact N-O 3.48Å; I78-Y86 PolarHBondContact O-N 2.97Å |
| 79 | R | 93.4 | Very high | 91.8 | Very high | 173 Ų | 173 | 78.2 Ų | 78.2 | 65% | 0.653 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 100.4 | 171.3 | -169.1 | 177.6 | -169.4 | -175.3 | 5.7 | 108.9 | N81 L85 | R79-N81 VanDerWaalsContact CG-O 3.32Å; R79-N81 WeakPolarHBondContact CG-O 3.35Å; R79-L85 HydrophobicContact CB-CD1 4.24Å |
| 80 | V | 93.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 75.1 Ų | 75.1 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -39.5 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | I78 L84 | I78-V80 HydrophobicContact CG2-CG2 4.18Å; I78-V80 PolarHBondContact O-N 3.16Å; V80-L84 HydrophobicContact CB-CD2 4.16Å; V80-L84 HydrophobicContact CB-CG 4.39Å; V80-L84 HydrophobicContact CG1-CD2 4.39Å; V80-L84 HydrophobicContact CG2-CD2 4.43Å; V80-L84 PolarHBondContact N-O 3.16Å |
| 81 | N | 94.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 75.1 Ų | 75.1 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | -173.3 | 173.6 | 62.7 | 49.3 | 0 | 0 | 0 | 110.6 | R79 R83 L84 | R79-N81 VanDerWaalsContact CG-O 3.32Å; R79-N81 WeakPolarHBondContact CG-O 3.35Å; N81-R83 PolarHBondContact O-N 2Å; N81-R83 WeakPolarHBondContact OD1-CA 3.48Å; N81-R83 PolarHBondContact OD1-N 2.95Å; N81-L84 PolarHBondContact N-O 2.98Å; N81-L84 PolarHBondContact O-N 3.44Å; N81-L84 VanDerWaalsContact OD1-CB 3.31Å; N81-L84 WeakPolarHBondContact OD1-CB 3.27Å; N81-L84 PolarHBondContact OD1-N 3.13Å |
| 82 | L | 94.4 | Very high | 92.8 | Very high | 148 Ų | 148 | 70.4 Ų | 70.4 | 78% | 0.775 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.2 | -177.4 | -69.1 | 173.6 | 0 | 0 | 0 | 114.1 | ||
| 83 | R | 94.8 | Very high | 92.8 | Very high | 219 Ų | 219 | 74 Ų | 74 | 83% | 0.826 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -1.9 | -174.1 | -63 | -177.2 | 178.9 | 174.7 | -0.5 | 114 | N56 N81 | N56-R83 PolarHBondContact ND2-O 2.02Å; N56-R83 PolarHBondContact OD1-O 2.82Å; N81-R83 PolarHBondContact O-N 2Å; N81-R83 WeakPolarHBondContact OD1-CA 3.48Å; N81-R83 PolarHBondContact OD1-N 2.95Å |
| 84 | L | 94.9 | Very high | 92.1 | Very high | 59 Ų | 59 | 76.9 Ų | 76.9 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 109 | -175.6 | -173.1 | 64.6 | 0 | 0 | 0 | 110.6 | H55 N56 V80 N81 | H55-L84 HydrophobicContact CB-CD1 4.28Å; N56-L84 WeakPolarHBondContact OD1-CA 3.42Å; V80-L84 HydrophobicContact CB-CD2 4.16Å; V80-L84 HydrophobicContact CB-CG 4.39Å; V80-L84 HydrophobicContact CG1-CD2 4.39Å; V80-L84 HydrophobicContact CG2-CD2 4.43Å; V80-L84 PolarHBondContact N-O 3.16Å; N81-L84 PolarHBondContact N-O 2.98Å; N81-L84 PolarHBondContact O-N 3.44Å; N81-L84 VanDerWaalsContact OD1-CB 3.31Å; N81-L84 WeakPolarHBondContact OD1-CB 3.27Å; N81-L84 PolarHBondContact OD1-N 3.13Å |
| 85 | L | 95.6 | Very high | 91 | Very high | 42 Ų | 42 | 76.6 Ų | 76.6 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.8 | 165.6 | 179.2 | 74.9 | 0 | 0 | 0 | 107.9 | H55 N56 F58 A77 R79 V87 | H55-L85 CarbonylContact C-O 3.53Å; H55-L85 WeakPolarHBondContact CA-O 3.48Å; N56-L85 PolarHBondContact N-O 2.89Å; N56-L85 PolarHBondContact OD1-N 3.43Å; F58-L85 HydrophobicContact CD2-CD2 4.44Å; F58-L85 HydrophobicContact CE2-CD2 3.58Å; F58-L85 HydrophobicContact CZ-CD2 3.82Å; A77-L85 HydrophobicContact CB-CD1 4.29Å; R79-L85 HydrophobicContact CB-CD1 4.24Å; L85-V87 HydrophobicContact CD2-CG2 3.93Å; L85-V87 HydrophobicContact CG-CG2 4.04Å |
| 86 | Y | 95.8 | Very high | 89.7 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.2 | 175 | -169.5 | -90.3 | 0 | 0 | 0 | 109.1 | Q53 H55 A77 I78 | Q53-Y86 VanDerWaalsContact CD-CZ 3.43Å; Q53-Y86 HydrophobicContact CG-CE1 3.93Å; Q53-Y86 HydrophobicContact CG-CE2 3.82Å; Q53-Y86 VanDerWaalsContact CG-OH 3.24Å; Q53-Y86 WeakPolarHBondContact CG-OH 2.87Å; Q53-Y86 PolarHBondContact NE2-OH 2.04Å; Q53-Y86 PolarHBondContact OE1-OH 3.43Å; Q53-Y86 VanDerWaalsContact OE1-OH 3.13Å; H55-Y86 AromaticContact CD2-CD2 3.33Å; H55-Y86 WeakPolarHBondContact CD2-CD2 3.29Å; H55-Y86 AromaticContact CD2-CE2 3.77Å; H55-Y86 AromaticContact NE2-CD2 3.34Å; H55-Y86 VanDerWaalsContact NE2-CD2 3.34Å; H55-Y86 WeakPolarHBondContact NE2-CD2 3.23Å; H55-Y86 AromaticContact NE2-CE2 3.31Å; H55-Y86 VanDerWaalsContact NE2-CE2 3.31Å; H55-Y86 WeakPolarHBondContact NE2-CE2 2.85Å; A77-Y86 CarbonylContact C-O 3.52Å; A77-Y86 VanDerWaalsContact CA-O 3.28Å; A77-Y86 WeakPolarHBondContact CA-O 3.05Å; I78-Y86 PolarHBondContact N-O 3.48Å; I78-Y86 PolarHBondContact O-N 2.97Å |
| 87 | V | 95.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 84.6 Ų | 84.6 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.7 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | Q53 E54 T57 F58 V76 A77 L85 K89 | Q53-V87 CarbonylContact C-O 3.58Å; Q53-V87 WeakPolarHBondContact CA-O 3.05Å; E54-V87 PolarHBondContact N-O 2.83Å; E54-V87 PolarHBondContact O-N 3Å; T57-V87 WeakPolarHBondContact O-CB 3.45Å; T57-V87 WeakPolarHBondContact O-CG2 3.05Å; F58-V87 HydrophobicContact CD1-CG1 3.74Å; F58-V87 HydrophobicContact CD1-CG2 3.91Å; F58-V87 HydrophobicContact CE1-CG1 4.13Å; F58-V87 HydrophobicContact CE1-CG2 3.84Å; F58-V87 HydrophobicContact CE2-CG2 4.45Å; F58-V87 HydrophobicContact CG-CG1 4.48Å; F58-V87 HydrophobicContact CG-CG2 4.26Å; F58-V87 HydrophobicContact CZ-CG2 4.12Å; V76-V87 CarbonylContact O-C 3.56Å; V76-V87 WeakPolarHBondContact O-CA 3.42Å; A77-V87 HydrophobicContact CB-CG2 4.29Å; L85-V87 HydrophobicContact CD2-CG2 3.93Å; L85-V87 HydrophobicContact CG-CG2 4.04Å; V87-K89 HydrophobicContact CG1-CG 4.35Å |
| 88 | Y | 94.4 | Very high | 86.6 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129 | 177.4 | 178.1 | -106.7 | 0 | 0 | 0 | 109.7 | Q53 L74 T75 V76 H90 | Q53-Y88 HydrophobicContact CB-CD2 4.36Å; L74-Y88 HydrophobicContact CD2-CD1 4.25Å; L74-Y88 HydrophobicContact CD2-CE1 4.11Å; T75-Y88 CarbonylContact C-O 3.55Å; T75-Y88 WeakPolarHBondContact CA-O 3.43Å; V76-Y88 PolarHBondContact N-O 3.3Å; V76-Y88 PolarHBondContact O-N 3.04Å; Y88-H90 HydrophobicContact CE1-CB 3.73Å; Y88-H90 HydrophobicContact CE2-CB 4.39Å; Y88-H90 WeakPolarHBondContact OH-CB 3.48Å |
| 89 | K | 94.4 | Very high | 84.9 | Confident | 30 Ų | 30 | 89.9 Ų | 89.9 | 13% | 0.13 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.5 | 175.3 | -53.4 | -171.8 | -174.4 | -178.8 | 0 | 109.3 | H50 S51 C52 F58 L74 T75 V87 | H50-K89 HydrophobicContact CB-CB 4.36Å; H50-K89 HydrophobicContact CB-CD 3.91Å; H50-K89 CarbonylContact O-C 3.32Å; H50-K89 VanDerWaalsContact O-CB 3.23Å; H50-K89 WeakPolarHBondContact O-CB 3.39Å; S51-K89 VanDerWaalsContact CA-O 3.29Å; S51-K89 WeakPolarHBondContact CA-O 3.46Å; C52-K89 PolarHBondContact N-O 2.81Å; C52-K89 PolarHBondContact O-N 3.34Å; F58-K89 PolarHBondContact O-NZ 3.48Å; L74-K89 VanDerWaalsContact O-CA 3.28Å; L74-K89 WeakPolarHBondContact O-CA 3.06Å; T75-K89 HydrophobicContact CG2-CD 4.42Å; T75-K89 HydrophobicContact CG2-CG 4.04Å; V87-K89 HydrophobicContact CG1-CG 4.35Å |
| 90 | H | 94 | Very high | 83.3 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 28% | 0.282 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 176.1 | 178.3 | -156.4 | 57.1 | 0 | 0 | 0 | 112.1 | H50 S51 L74 Y88 | H50-H90 PolarHBondContact O-N 3.13Å; S51-H90 PolarHBondContact OG-CE1 2.77Å; S51-H90 PolarHBondContact OG-ND1 3.12Å; L74-H90 WeakPolarHBondContact CB-O 3.36Å; L74-H90 PolarHBondContact N-O 3.44Å; L74-H90 PolarHBondContact O-N 2.94Å; L74-H90 VanDerWaalsContact O-N 3.16Å; Y88-H90 HydrophobicContact CE1-CB 3.73Å; Y88-H90 HydrophobicContact CE2-CB 4.39Å; Y88-H90 WeakPolarHBondContact OH-CB 3.48Å |
| 91 | C | 92.1 | Very high | 82.1 | Confident | 16 Ų | 16 | 99.8 Ų | 99.8 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 142.7 | 168 | -60.9 | 0 | 0 | 0 | 0 | 110 | C66 I70 | C66-C91 WeakPolarHBondContact CA-SG 3.28Å; C66-C91 HydrophobicContact CB-CB 3.72Å; C66-C91 WeakPolarHBondContact CB-SG 3.39Å; C66-C91 WeakPolarHBondContact SG-CB 3.25Å; C66-C91 CovalentContact SG-SG 2.04Å; C66-C91 PolarHBondContact SG-SG 3.04Å; I70-C91 HydrophobicContact CD1-CB 4.36Å; I70-C91 HydrophobicContact CG2-CB 3.96Å |
| 92 | T | 89.7 | Confident | 80.4 | Confident | 25 Ų | 25 | 102.3 Ų | 102.3 | 15% | 0.153 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.8 | 173.8 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | I70 R72 L74 D94 C95 | I70-T92 VanDerWaalsContact CG2-O 3.27Å; I70-T92 WeakPolarHBondContact CG2-O 3.4Å; R72-T92 HydrophobicContact CB-CG2 4.3Å; R72-T92 WeakPolarHBondContact CB-O 3.4Å; R72-T92 PolarHBondContact O-N 2.83Å; L74-T92 HydrophobicContact CB-CG2 3.7Å; L74-T92 HydrophobicContact CD1-CG2 4.4Å; L74-T92 HydrophobicContact CG-CG2 4.49Å; T92-D94 PolarHBondContact OG1-N 2.91Å; T92-D94 PolarHBondContact OG1-O 3.05Å; T92-C95 WeakPolarHBondContact CG2-SG 3.48Å |
| 93 | K | 85.1 | Confident | 79 | Confident | 112 Ų | 112 | 98 Ų | 98 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -81.5 | -49.7 | 169.7 | -68.5 | -173.8 | 177 | -169.5 | 0 | 110.4 | I70 R72 | I70-K93 HydrophobicContact CD1-CG 4.19Å; I70-K93 HydrophobicContact CG1-CD 4.35Å; I70-K93 HydrophobicContact CG1-CG 3.73Å; R72-K93 PolarHBondContact NH1-O 2.96Å |
| 94 | D | 76 | Confident | 77.5 | Confident | 120 Ų | 120 | 91.2 Ų | 91.2 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | trans | -105.8 | 114.5 | -179.2 | -63.2 | -53.5 | 0 | 0 | 0 | 110.7 | T92 T96 | T92-D94 PolarHBondContact OG1-N 2.91Å; T92-D94 PolarHBondContact OG1-O 3.05Å; D94-T96 PolarHBondContact O-N 2.84Å | ||
| 95 | C | 67.4 | Low | 76.4 | Confident | 25 Ų | 25 | 94.1 Ų | 94.1 | 17% | 0.169 | 44% | 0.444 | C | S | . | . | trans | -84.6 | 96.6 | 166 | -64.9 | 0 | 0 | 0 | 0 | 107.7 | T92 F97 I98 | T92-C95 WeakPolarHBondContact CG2-SG 3.48Å; C95-F97 PolarHBondContact O-N 2.84Å; C95-I98 HydrophobicContact CB-CB 4.29Å; C95-I98 HydrophobicContact CB-CD1 3.39Å; C95-I98 HydrophobicContact CB-CG1 3.57Å; C95-I98 PolarHBondContact O-N 2.95Å | ||
| 96 | T | 63.5 | Low | 75.1 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 72% | 0.718 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -4.1 | -179.6 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | D94 | D94-T96 PolarHBondContact O-N 2.84Š|
| 97 | F | 61.2 | Low | 73.2 | Confident | 160 Ų | 160 | 105.7 Ų | 105.7 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 1.6 | -177 | -60.3 | -78.2 | 0 | 0 | 0 | 114.6 | V76 C95 | V76-F97 HydrophobicContact CG2-CE2 4.39Å; C95-F97 PolarHBondContact O-N 2.84Å |
| 98 | I | 56.2 | Low | 72.1 | Confident | 68 Ų | 68 | 110.9 Ų | 110.9 | 35% | 0.349 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -90.8 | 119.8 | 178 | -60 | -179.1 | 0 | 0 | 0 | 108.3 | C95 R100 H102 V103 | C95-I98 HydrophobicContact CB-CB 4.29Å; C95-I98 HydrophobicContact CB-CD1 3.39Å; C95-I98 HydrophobicContact CB-CG1 3.57Å; C95-I98 PolarHBondContact O-N 2.95Å; I98-R100 PolarHBondContact O-N 2.89Å; I98-H102 HydrophobicContact CG2-CB 3.58Å; I98-V103 HydrophobicContact CB-CG2 4.28Å; I98-V103 HydrophobicContact CG2-CG2 3.86Å |
| 99 | Y | 56.3 | Low | 71 | Confident | 185 Ų | 185 | 112.3 Ų | 112.3 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | trans | -49.7 | 130.2 | 168 | -65.4 | -76.5 | 0 | 0 | 0 | 108.6 | R101 H102 | Y99-R101 PolarHBondContact O-N 2.97Å; Y99-H102 PolarHBondContact O-N 3.39Å | ||
| 100 | R | 61.3 | Low | 69.6 | Low | 236 Ų | 236 | 116.9 Ų | 116.9 | 89% | 0.891 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -45.2 | -28.4 | -176.2 | -73 | -174.5 | 179.5 | 169.1 | -0.6 | 114.7 | I98 H102 V103 | I98-R100 PolarHBondContact O-N 2.89Å; R100-H102 VanDerWaalsContact C-N 3.32Å; R100-H102 PolarHBondContact O-N 3.38Å; R100-V103 PolarHBondContact O-N 2.94Å |
| 101 | R | 66.9 | Low | 68.2 | Low | 238 Ų | 238 | 120.2 Ų | 120.2 | 90% | 0.898 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -67 | -22.6 | 177.2 | -58.2 | -175.9 | -169.8 | -164.4 | 2.3 | 115.2 | Y99 | Y99-R101 PolarHBondContact O-N 2.97Š|
| 102 | H | 59.3 | Low | 66.7 | Low | 135 Ų | 135 | 126.7 Ų | 126.7 | 63% | 0.625 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -103 | 4.5 | 179.6 | -57.2 | 107.3 | 0 | 0 | 0 | 112.4 | I98 Y99 R100 P104 | I98-H102 HydrophobicContact CG2-CB 3.58Å; Y99-H102 PolarHBondContact O-N 3.39Å; R100-H102 VanDerWaalsContact C-N 3.32Å; R100-H102 PolarHBondContact O-N 3.38Å; H102-P104 WeakPolarHBondContact O-CD 3.42Å |
| 103 | V | 64.8 | Low | 65.2 | Low | 58 Ų | 58 | 133.5 Ų | 133.5 | 35% | 0.352 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -78.7 | 116.6 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | I98 R100 | I98-V103 HydrophobicContact CB-CG2 4.28Å; I98-V103 HydrophobicContact CG2-CG2 3.86Å; R100-V103 PolarHBondContact O-N 2.94Å |
| 104 | P | 63.3 | Low | 63.8 | Low | 77 Ų | 77 | 135 Ų | 135 | 50% | 0.5 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 146.5 | 174.5 | 25.1 | -31.9 | 0 | 0 | 0 | 109.8 | H102 E106 | H102-P104 WeakPolarHBondContact O-CD 3.42Å; P104-E106 PolarHBondContact O-N 2.76Å |
| 105 | P | 71.2 | Confident | 62.8 | Low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.5 | -178.8 | 22.3 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 106 | E | 69.3 | Low | 62.4 | Low | 140 Ų | 140 | 145.4 Ų | 145.4 | 65% | 0.654 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 127.6 | 170.3 | -50 | -148.8 | 157.1 | 0 | 0 | 107.3 | R72 P104 | R72-E106 IonicContact CZ-OE1 3.27Å; R72-E106 VanDerWaalsContact CZ-OE1 3.27Å; R72-E106 IonicContact NH1-OE1 2.72Å; R72-E106 PolarHBondContact NH1-OE1 3.49Å; R72-E106 IonicContact NH2-OE1 2.84Å; R72-E106 PolarHBondContact NH2-OE1 2.97Å; P104-E106 PolarHBondContact O-N 2.76Å |
| 107 | L | 56 | Low | 62.3 | Low | 211 Ų | 211 | 148 Ų | 148 | 100% | 1.105 | 69% | 0.689 | S | S | * | * | trans | -89 | 0 | 178.5 | -83.9 | 158 | 0 | 0 | 0 | 109 |
Retrieved 107 of 107 residues in 198.4 ms
(Link to these results)