| 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 | 40.1 | Very low | 43.8 | Very low | 242 Ų | 242 | 114.1 Ų | 114.1 | 100% | 1.192 | 83% | 0.833 | S | S | * | * | 0 | 133.4 | 0 | -82.7 | 172.3 | 134.6 | 0 | 0 | 107.9 | |||||
| 2 | A | 47.1 | Very low | 43.7 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | 58.2 | 110 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 3 | D | 42.8 | Very low | 43.9 | Very low | 148 Ų | 148 | 117.1 Ų | 117.1 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | 79.2 | 141.9 | 55.5 | -169.7 | -107.3 | 0 | 0 | 0 | 114.9 | |||||
| 4 | S | 49.7 | Very low | 44.5 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | 80.7 | 127.4 | 167.7 | -71.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 5 | G | 41.7 | Very low | 44.8 | Very low | 66 Ų | 66 | 115.9 Ų | 115.9 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | cis | 135.6 | 152.3 | 12.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | T | 44 | Very low | 45.7 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | 80 | 149.5 | 164.5 | -130.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 7 | A | 43 | Very low | 45.8 | Very low | 86 Ų | 86 | 115.3 Ų | 115.3 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | cis | 179.5 | 155.3 | -29.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 8 | G | 40.5 | Very low | 46.1 | Very low | 80 Ų | 80 | 112.3 Ų | 112.3 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 85.7 | 83.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | A10 | G8-A10 PolarHBondContact O-N 2.7Š| ||
| 9 | G | 37 | Very low | 46.2 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -80.9 | 109.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | A | 45.6 | Very low | 46 | Very low | 87 Ų | 87 | 111.9 Ų | 111.9 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -62.4 | 139.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G8 L12 | G8-A10 PolarHBondContact O-N 2.7Å; A10-L12 PolarHBondContact O-N 3.22Å | ||
| 11 | A | 49.8 | Very low | 46.5 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -63.8 | 122.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | L | 43.3 | Very low | 46.8 | Very low | 167 Ų | 167 | 104.7 Ų | 104.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -106.8 | 117.3 | 167.2 | -69 | 176.7 | 0 | 0 | 0 | 108.8 | A10 | A10-L12 PolarHBondContact O-N 3.22Š| ||
| 13 | A | 46 | Very low | 47.2 | Very low | 100 Ų | 100 | 103 Ų | 103 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 134.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 14 | A | 53.1 | Low | 47.7 | Very low | 94 Ų | 94 | 102.2 Ų | 102.2 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 138.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 15 | P | 48.8 | Very low | 48.2 | Very low | 122 Ų | 122 | 99.6 Ų | 99.6 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 132.7 | 167.6 | 30.4 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 16 | A | 58.1 | Low | 48.9 | Very low | 95 Ų | 95 | 103 Ų | 103 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 133.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 17 | P | 48.6 | Very low | 50.1 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 124.6 | 162.6 | 30.2 | -27.1 | 0 | 0 | 0 | 109.4 | ||
| 18 | G | 51 | Low | 51.3 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -65 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G20 | G18-G20 PolarHBondContact O-N 3.25Š| ||
| 19 | P | 48.3 | Very low | 52.3 | Low | 142 Ų | 142 | 113 Ų | 113 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | trans | -72.4 | 97.6 | -174.4 | 29.9 | -32 | 0 | 0 | 0 | 110 | S21 | P19-S21 PolarHBondContact O-N 3.24Š| ||
| 20 | G | 41.6 | Very low | 53.2 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 110.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G18 G22 | G18-G20 PolarHBondContact O-N 3.25Å; G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 2.9Å | ||
| 21 | S | 56 | Low | 53.9 | Low | 130 Ų | 130 | 121.6 Ų | 121.6 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -62.2 | 89.4 | 169.8 | -160.4 | 0 | 0 | 0 | 0 | 109.3 | P19 | P19-S21 PolarHBondContact O-N 3.24Š| ||
| 22 | G | 45.9 | Very low | 54 | Low | 73 Ų | 73 | 121.6 Ų | 121.6 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -89.8 | 95.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G20 | G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 2.9Å | ||
| 23 | G | 56.2 | Low | 54.5 | Low | 62 Ų | 62 | 119.3 Ų | 119.3 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | -55.8 | 148 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G25 | G23-G25 PolarHBondContact O-N 3.14Š| ||
| 24 | P | 54.5 | Low | 54.5 | Low | 132 Ų | 132 | 121.1 Ų | 121.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 109.5 | -178.3 | 29 | -30.8 | 0 | 0 | 0 | 108.8 | ||||
| 25 | G | 58.7 | Low | 54.5 | Low | 52 Ų | 52 | 120.3 Ų | 120.3 | 54% | 0.536 | 78% | 0.782 | S | S | . | * | trans | -56.9 | 160 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G23 R27 | G23-G25 PolarHBondContact O-N 3.14Å; G25-R27 PolarHBondContact O-N 2.85Å | ||
| 26 | P | 57.7 | Low | 54.4 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -63.8 | 95.5 | -170.9 | 25.7 | -32.6 | 0 | 0 | 0 | 110.4 | ||||
| 27 | R | 68.6 | Low | 54 | Low | 219 Ų | 219 | 120.3 Ų | 120.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 120.6 | 168.8 | -171.4 | 166.8 | -167.1 | -131.8 | -0.2 | 106.6 | G25 Y29 | G25-R27 PolarHBondContact O-N 2.85Å; R27-Y29 WeakPolarHBondContact O-CD1 3.01Å; R27-Y29 PolarHBondContact O-N 3.37Å | ||
| 28 | V | 68.6 | Low | 53.5 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 99.7 | 172.2 | -69.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 29 | Y | 60 | Low | 53.3 | Low | 170 Ų | 170 | 124.8 Ų | 124.8 | 67% | 0.667 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 117.6 | 168 | 46.1 | -80.3 | 0 | 0 | 0 | 107.2 | R27 Q31 | R27-Y29 WeakPolarHBondContact O-CD1 3.01Å; R27-Y29 PolarHBondContact O-N 3.37Å; Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 HydrophobicContact CD2-CG 3.4Å; Y29-Q31 HydrophobicContact CE2-CG 3.54Å; Y29-Q31 PolarHBondContact O-N 3.37Å | ||
| 30 | F | 57.7 | Low | 52.6 | Low | 206 Ų | 206 | 121.2 Ų | 121.2 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -64.7 | 100.1 | 164.9 | -100.1 | -96 | 0 | 0 | 0 | 107.4 | S32 | F30-S32 PolarHBondContact O-N 3.28Å; F30-S32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | Q | 59.5 | Low | 53.3 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -67.4 | 108.2 | 172 | -72.6 | 175.5 | 56.2 | 0 | 0 | 107.9 | Y29 | Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 HydrophobicContact CD2-CG 3.4Å; Y29-Q31 HydrophobicContact CE2-CG 3.54Å; Y29-Q31 PolarHBondContact O-N 3.37Å | ||
| 32 | S | 52.8 | Low | 52.3 | Low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -68.6 | 139.9 | 159.7 | -65.9 | 0 | 0 | 0 | 0 | 108.2 | F30 | F30-S32 PolarHBondContact O-N 3.28Å; F30-S32 VanDerWaalsContact O-N 3.13Å | ||
| 33 | P | 53.7 | Low | 51.9 | Low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -59.2 | 140.6 | -177 | 22.8 | -32 | 0 | 0 | 0 | 110.9 | G35 | P33-G35 PolarHBondContact O-N 3.06Å; P33-G35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | P | 45.3 | Very low | 51.6 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -76.2 | 108.7 | -179.4 | 31.1 | -30.1 | 0 | 0 | 0 | 108.2 | ||
| 35 | G | 52.5 | Low | 51.1 | Low | 77 Ų | 77 | 125.1 Ų | 125.1 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -168.6 | 47.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P33 | P33-G35 PolarHBondContact O-N 3.06Å; P33-G35 VanDerWaalsContact O-N 3.17Å | ||
| 36 | A | 46.8 | Very low | 50.8 | Low | 105 Ų | 105 | 130.8 Ų | 130.8 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -156 | 56 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | A | 49.4 | Very low | 50.5 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -113.5 | 99.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 38 | G | 39.1 | Very low | 49.5 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -164.5 | 79.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | G40 | G38-G40 PolarHBondContact O-N 2.99Š| ||
| 39 | E | 46.3 | Very low | 48.8 | Very low | 209 Ų | 209 | 124 Ų | 124 | 98% | 0.977 | 81% | 0.805 | S | S | * | * | trans | -71.5 | 119.7 | 165.5 | -80 | 170.7 | 92.8 | 0 | 0 | 109.1 | ||||
| 40 | G | 34.8 | Very low | 48.7 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -163.7 | 127.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G38 | G38-G40 PolarHBondContact O-N 2.99Š| ||
| 41 | P | 54.8 | Low | 49 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -87.3 | 122.7 | -176.8 | 33.2 | -28.5 | 0 | 0 | 0 | 109.5 | ||||
| 42 | G | 35.7 | Very low | 49 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -178.7 | 112 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 43 | G | 37.1 | Very low | 49.4 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 66 | 108.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | D45 | G43-D45 PolarHBondContact O-N 3Š| ||
| 44 | A | 50.1 | Low | 49.9 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -8.7 | 114.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 45 | D | 44.2 | Very low | 50.7 | Low | 161 Ų | 161 | 126.5 Ų | 126.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | -162.3 | 98.3 | 124.1 | -84.3 | -45.5 | 0 | 0 | 0 | 106.1 | G43 E47 | G43-D45 PolarHBondContact O-N 3Å; D45-E47 PolarHBondContact O-N 3.49Å | |||
| 46 | D | 52 | Low | 50.9 | Low | 170 Ų | 170 | 129.3 Ų | 129.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -72 | 79.1 | 171.4 | -179.4 | -119.2 | 0 | 0 | 0 | 108.6 | ||||
| 47 | E | 51.1 | Low | 52.1 | Low | 179 Ų | 179 | 129.7 Ų | 129.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -135.7 | 63.2 | 159.2 | -162.2 | 162.3 | 90.6 | 0 | 0 | 108.9 | D45 | D45-E47 PolarHBondContact O-N 3.49Š| ||
| 48 | G | 47.4 | Very low | 53.4 | Low | 47 Ų | 47 | 126.8 Ų | 126.8 | 49% | 0.485 | 76% | 0.756 | S | S | . | * | trans | -57.6 | 141.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V50 | G48-V50 PolarHBondContact O-N 3.34Š| ||
| 49 | P | 54.8 | Low | 55.2 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -56.8 | 108.6 | 179.8 | -20.1 | 30 | 0 | 0 | 0 | 108.5 | R51 | P49-R51 PolarHBondContact O-N 3.12Š| ||
| 50 | V | 58.5 | Low | 57 | Low | 114 Ų | 114 | 128 Ų | 128 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -65.7 | 87.8 | 172.5 | -173.4 | 0 | 0 | 0 | 0 | 105.4 | G48 R52 | G48-V50 PolarHBondContact O-N 3.34Å; V50-R52 HydrophobicContact CG1-CG 3.72Å; V50-R52 PolarHBondContact O-N 2.88Å | ||
| 51 | R | 62.2 | Low | 59.6 | Low | 203 Ų | 203 | 129 Ų | 129 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -66 | 79.7 | 170.3 | -59.6 | -177.4 | 89.3 | -169.1 | 7.7 | 105.7 | P49 Q53 | P49-R51 PolarHBondContact O-N 3.12Å; R51-Q53 HydrophobicContact CB-CG 4.44Å; R51-Q53 PolarHBondContact O-N 2.75Å | ||
| 52 | R | 59.5 | Low | 61.3 | Low | 223 Ų | 223 | 131.2 Ų | 131.2 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | trans | -66.7 | 79.5 | 162.9 | -64 | -161.1 | -176.2 | -147.8 | 2.5 | 105.6 | V50 G54 | V50-R52 HydrophobicContact CG1-CG 3.72Å; V50-R52 PolarHBondContact O-N 2.88Å; R52-G54 PolarHBondContact O-N 3.39Å | ||
| 53 | Q | 62.7 | Low | 63.9 | Low | 149 Ų | 149 | 134.9 Ų | 134.9 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | trans | -62.4 | 87.3 | 162.8 | -68.8 | 166.9 | 17.8 | 0 | 0 | 104.6 | R51 K55 | R51-Q53 HydrophobicContact CB-CG 4.44Å; R51-Q53 PolarHBondContact O-N 2.75Å; Q53-K55 PolarHBondContact O-N 3.2Å | ||
| 54 | G | 63.1 | Low | 66.5 | Low | 55 Ų | 55 | 131.5 Ų | 131.5 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | -50.8 | 128.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | R52 V56 | R52-G54 PolarHBondContact O-N 3.39Å; G54-V56 VanDerWaalsContact C-N 3.28Å; G54-V56 WeakPolarHBondContact O-CG2 3.48Å; G54-V56 PolarHBondContact O-N 3.23Å | ||
| 55 | K | 63.4 | Low | 68.4 | Low | 195 Ų | 195 | 130.2 Ų | 130.2 | 85% | 0.848 | 65% | 0.651 | S | S | * | * | trans | -66.1 | 93.1 | 178.6 | -72.9 | 162.9 | 176.3 | 172.8 | 0 | 107.8 | Q53 T57 | Q53-K55 PolarHBondContact O-N 3.2Å; K55-T57 PolarHBondContact O-N 2.85Å | ||
| 56 | V | 55.5 | Low | 70.7 | Confident | 137 Ų | 137 | 128.3 Ų | 128.3 | 83% | 0.83 | 63% | 0.632 | S | S | * | * | trans | -80.5 | 51.3 | 171 | -168.9 | 0 | 0 | 0 | 0 | 108.5 | G54 | G54-V56 VanDerWaalsContact C-N 3.28Å; G54-V56 WeakPolarHBondContact O-CG2 3.48Å; G54-V56 PolarHBondContact O-N 3.23Å | ||
| 57 | T | 72.4 | Confident | 72.7 | Confident | 113 Ų | 113 | 124.5 Ų | 124.5 | 69% | 0.693 | 61% | 0.607 | S | S | * | * | trans | -119.9 | 101.3 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 106.7 | K55 K59 | K55-T57 PolarHBondContact O-N 2.85Å; T57-K59 PolarHBondContact O-N 3.03Å | ||
| 58 | V | 76.5 | Confident | 74.6 | Confident | 51 Ų | 51 | 117.8 Ų | 117.8 | 31% | 0.309 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 129.2 | 166.4 | 163.9 | 0 | 0 | 0 | 0 | 108.3 | Y60 S142 P144 | V58-Y60 HydrophobicContact CB-CE2 4.45Å; V58-Y60 HydrophobicContact CG1-CD1 4.25Å; V58-Y60 HydrophobicContact CG1-CD2 4.46Å; V58-Y60 HydrophobicContact CG1-CE1 3.78Å; V58-Y60 HydrophobicContact CG1-CE2 4.03Å; V58-S142 WeakPolarHBondContact CG1-O 3.11Å; V58-P144 HydrophobicContact CB-CG 4.22Å; V58-P144 HydrophobicContact CG2-CB 3.41Å; V58-P144 VanDerWaalsContact CG2-CB 3.41Å; V58-P144 HydrophobicContact CG2-CG 3.36Å |
| 59 | K | 77.8 | Confident | 76.7 | Confident | 198 Ų | 198 | 120.1 Ų | 120.1 | 86% | 0.861 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 118.9 | 178.1 | -174.6 | -176.1 | 175.1 | -173.2 | 0 | 108.1 | T57 | T57-K59 PolarHBondContact O-N 3.03Š|
| 60 | Y | 84 | Confident | 78.5 | Confident | 110 Ų | 110 | 118.9 Ų | 118.9 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -92.8 | 144.6 | 171.9 | -58 | -78.4 | 0 | 0 | 0 | 110.6 | V58 L141 | V58-Y60 HydrophobicContact CB-CE2 4.45Å; V58-Y60 HydrophobicContact CG1-CD1 4.25Å; V58-Y60 HydrophobicContact CG1-CD2 4.46Å; V58-Y60 HydrophobicContact CG1-CE1 3.78Å; V58-Y60 HydrophobicContact CG1-CE2 4.03Å; Y60-L141 HydrophobicContact CD1-CB 4.46Å |
| 61 | D | 88.3 | Confident | 80.1 | Confident | 88 Ų | 88 | 113.6 Ų | 113.6 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 123.9 | 172.5 | -174.3 | -75.2 | 0 | 0 | 0 | 110.4 | K63 E64 L65 | D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 3.14Å; D61-K63 VanDerWaalsContact OD1-CA 3.31Å; D61-K63 WeakPolarHBondContact OD1-CA 3.32Å; D61-K63 WeakPolarHBondContact OD1-CB 3.03Å; D61-K63 PolarHBondContact OD1-N 3.34Å; D61-E64 HydrophobicContact CB-CB 3.97Å; D61-E64 PolarHBondContact O-N 2.9Å; D61-E64 PolarHBondContact OD1-N 2.99Å; D61-L65 WeakPolarHBondContact O-CG 3.41Å; D61-L65 PolarHBondContact O-N 2.93Å |
| 62 | R | 90.7 | Very high | 81.5 | Confident | 188 Ų | 188 | 108 Ų | 108 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -26.8 | -176.7 | -170.9 | -176.3 | 174.7 | -151.7 | 0.1 | 113.2 | R66 | R62-R66 PolarHBondContact O-N 3.32Å; R62-R66 PolarHBondContact O-NE 3.27Å; R62-R66 VanDerWaalsContact O-NE 3.08Å |
| 63 | K | 91.4 | Very high | 83 | Confident | 154 Ų | 154 | 103 Ų | 103 | 67% | 0.67 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.1 | -42.6 | 175.5 | -59.8 | 178.9 | 178.1 | 178 | 0 | 109.4 | D61 R66 K67 | D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 3.14Å; D61-K63 VanDerWaalsContact OD1-CA 3.31Å; D61-K63 WeakPolarHBondContact OD1-CA 3.32Å; D61-K63 WeakPolarHBondContact OD1-CB 3.03Å; D61-K63 PolarHBondContact OD1-N 3.34Å; K63-R66 WeakPolarHBondContact O-CB 3.49Å; K63-R66 PolarHBondContact O-N 3.42Å; K63-K67 PolarHBondContact O-N 2.98Å |
| 64 | E | 90.6 | Very high | 84.5 | Confident | 7 Ų | 7 | 97.9 Ų | 97.9 | 3% | 0.033 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 179.8 | -162 | 56.5 | -146.6 | 0 | 0 | 112.3 | D61 R66 K67 R68 M138 Q139 L141 | D61-E64 HydrophobicContact CB-CB 3.97Å; D61-E64 PolarHBondContact O-N 2.9Å; D61-E64 PolarHBondContact OD1-N 2.99Å; E64-R66 PolarHBondContact O-N 3.18Å; E64-K67 WeakPolarHBondContact O-CB 3.32Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K67 WeakPolarHBondContact OE2-CD 3.49Å; E64-K67 WeakPolarHBondContact OE2-CE 3.38Å; E64-K67 IonicContact OE2-NZ 3.99Å; E64-K67 PolarHBondContact OE2-NZ 3.19Å; E64-R68 PolarHBondContact O-N 3.43Å; E64-M138 WeakPolarHBondContact OE1-CA 3.41Å; E64-M138 WeakPolarHBondContact OE1-CB 3.18Å; E64-Q139 VanDerWaalsContact CD-N 3.35Å; E64-Q139 HydrophobicContact CG-CB 4.19Å; E64-Q139 PolarHBondContact OE1-N 2.75Å; E64-L141 HydrophobicContact CB-CD2 4.05Å; E64-L141 HydrophobicContact CG-CD2 3.79Å |
| 65 | L | 91.3 | Very high | 85.8 | Confident | 69 Ų | 69 | 96 Ų | 96 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56 | -39.1 | 171.4 | -74.6 | 172.6 | 0 | 0 | 0 | 112.6 | D61 R68 L69 L141 | D61-L65 WeakPolarHBondContact O-CG 3.41Å; D61-L65 PolarHBondContact O-N 2.93Å; L65-R68 PolarHBondContact O-N 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.38Å; L65-L141 HydrophobicContact CD2-CD1 3.76Å; L65-L141 HydrophobicContact CD2-CD2 4.36Å |
| 66 | R | 92.2 | Very high | 86.9 | Confident | 121 Ų | 121 | 91.3 Ų | 91.3 | 46% | 0.457 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 175.4 | -86.2 | -179.8 | -85.6 | 177 | -7.7 | 112.3 | R62 K63 E64 R68 N70 | R62-R66 PolarHBondContact O-N 3.32Å; R62-R66 PolarHBondContact O-NE 3.27Å; R62-R66 VanDerWaalsContact O-NE 3.08Å; K63-R66 WeakPolarHBondContact O-CB 3.49Å; K63-R66 PolarHBondContact O-N 3.42Å; E64-R66 PolarHBondContact O-N 3.18Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R66-N70 WeakPolarHBondContact O-CB 3.46Å; R66-N70 PolarHBondContact O-N 3.12Å; R66-N70 PolarHBondContact O-ND2 3.48Å; R66-N70 PolarHBondContact O-OD1 3.01Å |
| 67 | K | 92.8 | Very high | 88.5 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 39% | 0.391 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 173.5 | -63.9 | -171.4 | -161.2 | 153.7 | 0 | 111.3 | K63 E64 N70 L71 G137 | K63-K67 PolarHBondContact O-N 2.98Å; E64-K67 WeakPolarHBondContact O-CB 3.32Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K67 WeakPolarHBondContact OE2-CD 3.49Å; E64-K67 WeakPolarHBondContact OE2-CE 3.38Å; E64-K67 IonicContact OE2-NZ 3.99Å; E64-K67 PolarHBondContact OE2-NZ 3.19Å; K67-N70 PolarHBondContact O-N 3.46Å; K67-L71 WeakPolarHBondContact O-CB 3.25Å; K67-L71 PolarHBondContact O-N 2.98Å; K67-G137 PolarHBondContact NZ-O 2.96Å |
| 68 | R | 90.8 | Very high | 89.3 | Confident | 39 Ų | 39 | 86.5 Ų | 86.5 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 178 | -174.8 | 56.3 | 173.9 | -121.1 | 4 | 111.9 | E64 L65 R66 N70 L71 E72 V97 D98 M138 L141 | E64-R68 PolarHBondContact O-N 3.43Å; L65-R68 PolarHBondContact O-N 3.41Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R68-N70 PolarHBondContact O-N 3.24Å; R68-L71 WeakPolarHBondContact O-CB 3.41Å; R68-L71 PolarHBondContact O-N 2.9Å; R68-L71 VanDerWaalsContact O-N 3.15Å; R68-E72 WeakPolarHBondContact CG-OE1 3.36Å; R68-E72 IonicContact CZ-OE1 3.75Å; R68-E72 IonicContact NE-OE1 2.63Å; R68-E72 PolarHBondContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.4Å; R68-E72 PolarHBondContact O-N 2.92Å; R68-V97 VanDerWaalsContact CZ-CB 3.46Å; R68-V97 VanDerWaalsContact NH1-CB 3.25Å; R68-V97 VanDerWaalsContact NH1-CG1 3.33Å; R68-D98 IonicContact NH1-OD1 2.72Å; R68-D98 PolarHBondContact NH1-OD1 2.83Å; R68-M138 HydrophobicContact CB-CE 4.13Å; R68-L141 HydrophobicContact CB-CD1 4.28Å; R68-L141 HydrophobicContact CG-CD1 4.24Å |
| 69 | L | 91.9 | Very high | 89.7 | Confident | 95 Ų | 95 | 84.3 Ų | 84.3 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 175.1 | -69.7 | 170.7 | 0 | 0 | 0 | 112 | L65 L71 E72 E73 | L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.38Å; L69-L71 PolarHBondContact O-N 2.84Å; L69-E72 PolarHBondContact O-N 2.87Å; L69-E72 VanDerWaalsContact O-N 3.15Å; L69-E73 WeakPolarHBondContact O-CG 3.3Å; L69-E73 PolarHBondContact O-N 3.32Å |
| 70 | N | 92.8 | Very high | 90 | Very high | 97 Ų | 97 | 77.9 Ų | 77.9 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -28.9 | 178 | -68.3 | -9 | 0 | 0 | 0 | 112.9 | R66 K67 R68 W74 | R66-N70 WeakPolarHBondContact O-CB 3.46Å; R66-N70 PolarHBondContact O-N 3.12Å; R66-N70 PolarHBondContact O-ND2 3.48Å; R66-N70 PolarHBondContact O-OD1 3.01Å; K67-N70 PolarHBondContact O-N 3.46Å; R68-N70 PolarHBondContact O-N 3.24Å; N70-W74 WeakPolarHBondContact O-CB 3.28Å; N70-W74 PolarHBondContact O-N 3.35Å |
| 71 | L | 92.7 | Very high | 90 | Very high | 4 Ų | 4 | 79.7 Ų | 79.7 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.5 | -49.4 | 174.3 | 175.6 | 64.2 | 0 | 0 | 0 | 110.3 | K67 R68 L69 E73 W74 I75 V97 L131 K134 I135 M138 | K67-L71 WeakPolarHBondContact O-CB 3.25Å; K67-L71 PolarHBondContact O-N 2.98Å; R68-L71 WeakPolarHBondContact O-CB 3.41Å; R68-L71 PolarHBondContact O-N 2.9Å; R68-L71 VanDerWaalsContact O-N 3.15Å; L69-L71 PolarHBondContact O-N 2.84Å; L71-E73 PolarHBondContact O-N 2.66Å; L71-W74 HydrophobicContact CD1-CE3 3.93Å; L71-W74 HydrophobicContact CD1-CZ3 4.41Å; L71-W74 PolarHBondContact O-N 3.38Å; L71-W74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CD1-CD1 4.05Å; L71-I75 HydrophobicContact CD1-CG1 4.05Å; L71-I75 HydrophobicContact CD2-CD1 4.24Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 HydrophobicContact CG-CG1 4.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.46Å; L71-V97 HydrophobicContact CD2-CB 4.47Å; L71-V97 HydrophobicContact CD2-CG1 3.95Å; L71-V97 HydrophobicContact CD2-CG2 3.66Å; L71-L131 HydrophobicContact CD1-CD1 3.9Å; L71-L131 HydrophobicContact CD2-CD1 4.48Å; L71-K134 HydrophobicContact CD1-CB 3.77Å; L71-K134 HydrophobicContact CD1-CD 3.81Å; L71-K134 HydrophobicContact CD1-CG 4.41Å; L71-I135 HydrophobicContact CD2-CG2 3.79Å; L71-M138 HydrophobicContact CB-CE 4.22Å; L71-M138 HydrophobicContact CB-SD 4.07Å; L71-M138 HydrophobicContact CD2-CE 3.77Å; L71-M138 HydrophobicContact CD2-SD 3.36Å; L71-M138 WeakPolarHBondContact CD2-SD 3.44Å; L71-M138 HydrophobicContact CG-SD 4.22Å |
| 72 | E | 90.4 | Very high | 89.7 | Confident | 84 Ų | 84 | 76.5 Ų | 76.5 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | -179.6 | -73.1 | 172.4 | -165.7 | 0 | 0 | 111.4 | R68 L69 W74 I75 L76 | R68-E72 WeakPolarHBondContact CG-OE1 3.36Å; R68-E72 IonicContact CZ-OE1 3.75Å; R68-E72 IonicContact NE-OE1 2.63Å; R68-E72 PolarHBondContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.4Å; R68-E72 PolarHBondContact O-N 2.92Å; L69-E72 PolarHBondContact O-N 2.87Å; L69-E72 VanDerWaalsContact O-N 3.15Å; E72-W74 VanDerWaalsContact C-N 3.31Å; E72-W74 PolarHBondContact O-N 3.42Å; E72-I75 PolarHBondContact O-N 3.35Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.42Å |
| 73 | E | 92.1 | Very high | 89.1 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.5 | -44.3 | 173.6 | -71.6 | 176.8 | 169.6 | 0 | 0 | 111.8 | L69 L71 L76 E77 | L69-E73 WeakPolarHBondContact O-CG 3.3Å; L69-E73 PolarHBondContact O-N 3.32Å; L71-E73 PolarHBondContact O-N 2.66Å; E73-L76 PolarHBondContact O-N 3.47Å; E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å |
| 74 | W | 93.6 | Very high | 88 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 178.5 | 174.3 | 82.5 | 0 | 0 | 0 | 112.6 | N70 L71 E72 E77 Q78 F127 G130 L131 K134 | N70-W74 WeakPolarHBondContact O-CB 3.28Å; N70-W74 PolarHBondContact O-N 3.35Å; L71-W74 HydrophobicContact CD1-CE3 3.93Å; L71-W74 HydrophobicContact CD1-CZ3 4.41Å; L71-W74 PolarHBondContact O-N 3.38Å; L71-W74 VanDerWaalsContact O-N 3.12Å; E72-W74 VanDerWaalsContact C-N 3.31Å; E72-W74 PolarHBondContact O-N 3.42Å; W74-E77 PolarHBondContact O-N 3.36Å; W74-Q78 HydrophobicContact CD2-CG 3.9Å; W74-Q78 HydrophobicContact CE3-CG 4.46Å; W74-Q78 HydrophobicContact CG-CG 4.4Å; W74-Q78 HydrophobicContact CH2-CG 4.05Å; W74-Q78 HydrophobicContact CZ2-CG 3.46Å; W74-Q78 VanDerWaalsContact CZ2-CG 3.46Å; W74-Q78 WeakPolarHBondContact O-CG 3.37Å; W74-Q78 PolarHBondContact O-N 2.79Å; W74-F127 HydrophobicContact CH2-CD2 4.07Å; W74-F127 HydrophobicContact CH2-CE2 4.2Å; W74-F127 HydrophobicContact CZ3-CD2 4.41Å; W74-F127 HydrophobicContact CZ3-CE2 4.07Å; W74-G130 VanDerWaalsContact CH2-C 3.44Å; W74-L131 HydrophobicContact CH2-CB 4.01Å; W74-L131 VanDerWaalsContact CH2-N 3.28Å; W74-L131 HydrophobicContact CZ3-CB 3.85Å; W74-L131 HydrophobicContact CZ3-CD1 4.06Å; W74-K134 HydrophobicContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CE2-CE 3.41Å; W74-K134 HydrophobicContact CE3-CD 3.47Å; W74-K134 VanDerWaalsContact CE3-CD 3.47Å; W74-K134 HydrophobicContact CG-CD 3.93Å; W74-K134 HydrophobicContact CH2-CD 4.28Å; W74-K134 HydrophobicContact CZ2-CD 4.22Å; W74-K134 HydrophobicContact CZ3-CD 3.92Å |
| 75 | I | 90.1 | Very high | 86.6 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 176.8 | -73 | 172.9 | 0 | 0 | 0 | 109 | L71 E72 E77 Q78 L79 I95 V97 F127 L131 | L71-I75 HydrophobicContact CD1-CD1 4.05Å; L71-I75 HydrophobicContact CD1-CG1 4.05Å; L71-I75 HydrophobicContact CD2-CD1 4.24Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 HydrophobicContact CG-CG1 4.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.46Å; E72-I75 PolarHBondContact O-N 3.35Å; I75-E77 PolarHBondContact O-N 3.1Å; I75-Q78 PolarHBondContact O-N 3.14Å; I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.22Å; I75-L79 WeakPolarHBondContact O-CB 3.3Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 2.95Å; I75-I95 HydrophobicContact CG2-CD1 3.95Å; I75-V97 HydrophobicContact CD1-CG2 4.47Å; I75-F127 HydrophobicContact CG2-CZ 4.31Å; I75-L131 HydrophobicContact CD1-CD1 3.82Å; I75-L131 HydrophobicContact CG1-CD1 4.05Å |
| 76 | L | 86.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 178.2 | -69.5 | 171.7 | 0 | 0 | 0 | 111.2 | E72 E73 Q78 L79 T80 | E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.42Å; E73-L76 PolarHBondContact O-N 3.47Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.38Å; L76-L79 PolarHBondContact O-N 3.42Å; L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.42Å |
| 77 | E | 88.9 | Confident | 83 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 177.7 | -79.6 | -171 | -175.9 | 0 | 0 | 113.1 | E73 W74 I75 R81 | E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å; W74-E77 PolarHBondContact O-N 3.36Å; I75-E77 PolarHBondContact O-N 3.1Å; E77-R81 VanDerWaalsContact O-CG 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE2-NH2 2.7Å; E77-R81 PolarHBondContact OE2-NH2 3.28Å |
| 78 | Q | 89.3 | Confident | 81 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 178.7 | -66.7 | -40 | -78.3 | 0 | 0 | 111.7 | W74 I75 L76 R81 L82 F127 | W74-Q78 HydrophobicContact CD2-CG 3.9Å; W74-Q78 HydrophobicContact CE3-CG 4.46Å; W74-Q78 HydrophobicContact CG-CG 4.4Å; W74-Q78 HydrophobicContact CH2-CG 4.05Å; W74-Q78 HydrophobicContact CZ2-CG 3.46Å; W74-Q78 VanDerWaalsContact CZ2-CG 3.46Å; W74-Q78 WeakPolarHBondContact O-CG 3.37Å; W74-Q78 PolarHBondContact O-N 2.79Å; I75-Q78 PolarHBondContact O-N 3.14Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.38Å; Q78-R81 VanDerWaalsContact NE2-NH1 3.19Å; Q78-R81 PolarHBondContact O-N 3.35Å; Q78-L82 VanDerWaalsContact O-CB 3.28Å; Q78-L82 WeakPolarHBondContact O-CB 3.33Å; Q78-L82 PolarHBondContact O-N 2.91Å; Q78-F127 HydrophobicContact CB-CD2 3.55Å; Q78-F127 HydrophobicContact CB-CE2 3.84Å; Q78-F127 HydrophobicContact CG-CD2 4.19Å |
| 79 | L | 86 | Confident | 79.1 | Confident | 6 Ų | 6 | 84.8 Ų | 84.8 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177 | -71.7 | 176 | 0 | 0 | 0 | 111.4 | I75 L76 R81 L82 Y83 L93 L117 F127 | I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.22Å; I75-L79 WeakPolarHBondContact O-CB 3.3Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 2.95Å; L76-L79 PolarHBondContact O-N 3.42Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; L79-L82 HydrophobicContact CD2-CD2 4.45Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L79-Y83 HydrophobicContact CD2-CD2 4.44Å; L79-Y83 HydrophobicContact CD2-CE2 4.05Å; L79-Y83 WeakPolarHBondContact O-CD2 3.23Å; L79-Y83 PolarHBondContact O-N 3.4Å; L79-L93 HydrophobicContact CD1-CD2 4.32Å; L79-L93 HydrophobicContact CD2-CD2 4.21Å; L79-L117 HydrophobicContact CD2-CD2 3.85Å; L79-F127 HydrophobicContact CD2-CE2 4.33Å; L79-F127 HydrophobicContact CD2-CZ 4.11Å; L79-F127 HydrophobicContact CG-CE2 4.35Å; L79-F127 HydrophobicContact CG-CZ 4.36Å |
| 80 | T | 84.2 | Confident | 77.7 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 39% | 0.387 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 173.8 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | L76 D84 | L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.42Å; T80-D84 WeakPolarHBondContact O-CA 3.24Å; T80-D84 PolarHBondContact O-N 3.37Å |
| 81 | R | 84.4 | Confident | 76.5 | Confident | 148 Ų | 148 | 80 Ų | 80 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 176.4 | -66.9 | 172.3 | -167.3 | 169.9 | 11.3 | 112.4 | E77 Q78 L79 K122 | E77-R81 VanDerWaalsContact O-CG 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE2-NH2 2.7Å; E77-R81 PolarHBondContact OE2-NH2 3.28Å; Q78-R81 VanDerWaalsContact NE2-NH1 3.19Å; Q78-R81 PolarHBondContact O-N 3.35Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; R81-K122 PolarHBondContact O-NZ 3.33Å |
| 82 | L | 81.8 | Confident | 75.3 | Confident | 21 Ų | 21 | 89.9 Ų | 89.9 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | -178 | -164.6 | 92.2 | 0 | 0 | 0 | 110.7 | Q78 L79 L117 C120 K122 T124 F127 | Q78-L82 VanDerWaalsContact O-CB 3.28Å; Q78-L82 WeakPolarHBondContact O-CB 3.33Å; Q78-L82 PolarHBondContact O-N 2.91Å; L79-L82 HydrophobicContact CD2-CD2 4.45Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L82-L117 HydrophobicContact CD2-CD2 4.27Å; L82-C120 HydrophobicContact CD2-CB 4.31Å; L82-C120 WeakPolarHBondContact CD2-SG 3.41Å; L82-K122 WeakPolarHBondContact O-CD 3.43Å; L82-K122 WeakPolarHBondContact O-CE 3.44Å; L82-K122 PolarHBondContact O-NZ 2.9Å; L82-T124 HydrophobicContact CD2-CG2 4.21Å; L82-F127 HydrophobicContact CD1-CB 4.47Å |
| 83 | Y | 77.4 | Confident | 74.6 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 18% | 0.184 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -89.8 | -11.3 | -177.4 | -72.9 | -88.2 | 0 | 0 | 0 | 114.1 | L79 C85 L117 C120 | L79-Y83 HydrophobicContact CD2-CD2 4.44Å; L79-Y83 HydrophobicContact CD2-CE2 4.05Å; L79-Y83 WeakPolarHBondContact O-CD2 3.23Å; L79-Y83 PolarHBondContact O-N 3.4Å; Y83-C85 WeakPolarHBondContact CB-SG 3.38Å; Y83-C85 PolarHBondContact O-N 3.46Å; Y83-L117 HydrophobicContact CE2-CD2 4.1Å; Y83-C120 HydrophobicContact CE1-CB 3.95Å; Y83-C120 WeakPolarHBondContact OH-CB 3.43Å |
| 84 | D | 69 | Low | 74.2 | Confident | 133 Ų | 133 | 89.8 Ų | 89.8 | 71% | 0.711 | 43% | 0.431 | S | S | * | . | trans | 52.9 | 17.2 | -176.3 | -98.1 | -24.7 | 0 | 0 | 0 | 114 | T80 K122 | T80-D84 WeakPolarHBondContact O-CA 3.24Å; T80-D84 PolarHBondContact O-N 3.37Å; D84-K122 IonicContact OD1-NZ 3.25Å; D84-K122 IonicContact OD2-NZ 3.37Å; D84-K122 PolarHBondContact OD2-NZ 3.16Å | ||
| 85 | C | 60 | Low | 74 | Confident | 16 Ų | 16 | 88.9 Ų | 88.9 | 11% | 0.108 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -104.2 | 156.4 | -175.1 | 63 | 0 | 0 | 0 | 0 | 111.4 | Y83 E89 I90 | Y83-C85 WeakPolarHBondContact CB-SG 3.38Å; Y83-C85 PolarHBondContact O-N 3.46Å; C85-E89 HydrophobicContact CB-CB 3.64Å; C85-E89 WeakPolarHBondContact CB-OE2 3.25Å; C85-I90 VanDerWaalsContact SG-CG1 3.51Å |
| 86 | Q | 53.6 | Low | 74 | Confident | 155 Ų | 155 | 91.2 Ų | 91.2 | 72% | 0.724 | 44% | 0.441 | S | S | * | . | trans | -65 | 150.1 | 164.2 | -80.9 | 175.6 | 59.8 | 0 | 0 | 108.5 | E88 E89 | Q86-E88 PolarHBondContact O-N 3.41Å; Q86-E89 PolarHBondContact O-N 3.46Å | ||
| 87 | E | 55.1 | Low | 74.2 | Confident | 161 Ų | 161 | 86.7 Ų | 86.7 | 75% | 0.752 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -45.2 | -27.9 | -176.7 | -169.4 | 175.6 | -179.6 | 0 | 0 | 114 | E89 I90 | E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.02Å; E87-I90 PolarHBondContact O-N 3.21Å |
| 88 | E | 49.9 | Very low | 74.3 | Confident | 180 Ų | 180 | 83 Ų | 83 | 84% | 0.841 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -70.1 | -15.4 | 178.9 | -63 | 176.2 | 154.4 | 0 | 0 | 115.7 | Q86 | Q86-E88 PolarHBondContact O-N 3.41Š|
| 89 | E | 52.4 | Low | 74.4 | Confident | 149 Ų | 149 | 83.9 Ų | 83.9 | 70% | 0.696 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -108 | -5.3 | 178.9 | -94.4 | 179.9 | -179.9 | 0 | 0 | 113.1 | C85 Q86 E87 P91 | C85-E89 HydrophobicContact CB-CB 3.64Å; C85-E89 WeakPolarHBondContact CB-OE2 3.25Å; Q86-E89 PolarHBondContact O-N 3.46Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.02Å; E89-P91 WeakPolarHBondContact O-CD 3.3Å |
| 90 | I | 62.6 | Low | 74.7 | Confident | 32 Ų | 32 | 83.7 Ų | 83.7 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -69 | 120.9 | 169.3 | -56.1 | 178.7 | 0 | 0 | 0 | 105.7 | C85 E87 | C85-I90 VanDerWaalsContact SG-CG1 3.51Å; E87-I90 PolarHBondContact O-N 3.21Å |
| 91 | P | 65.9 | Low | 75 | Confident | 61 Ų | 61 | 82.2 Ų | 82.2 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | trans | -51.4 | 156.3 | 172.8 | -21.5 | 31.2 | 0 | 0 | 0 | 110 | E89 L93 | E89-P91 WeakPolarHBondContact O-CD 3.3Å; P91-L93 PolarHBondContact O-N 3.15Å | ||
| 92 | E | 68.8 | Low | 75.3 | Confident | 210 Ų | 210 | 79.9 Ų | 79.9 | 98% | 0.981 | 39% | 0.393 | S | S | * | . | trans | -64.6 | 73.9 | 171 | -69.8 | 178 | -132.2 | 0 | 0 | 110.1 | ||||
| 93 | L | 75.6 | Confident | 75.9 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | trans | -94.8 | 100.6 | -173.8 | -172.7 | 66.3 | 0 | 0 | 0 | 108.7 | L79 P91 I95 L116 L117 | L79-L93 HydrophobicContact CD1-CD2 4.32Å; L79-L93 HydrophobicContact CD2-CD2 4.21Å; P91-L93 PolarHBondContact O-N 3.15Å; L93-I95 HydrophobicContact CG-CG1 4.49Å; L93-L116 HydrophobicContact CD1-CB 3.73Å; L93-L116 HydrophobicContact CD1-CD2 4.13Å; L93-L116 HydrophobicContact CD1-CG 4.45Å; L93-L116 WeakPolarHBondContact CD1-O 3.44Å; L93-L117 HydrophobicContact CD2-CD2 3.6Å | ||
| 94 | E | 83.9 | Confident | 76.4 | Confident | 163 Ų | 163 | 88.1 Ų | 88.1 | 76% | 0.762 | 43% | 0.433 | S | S | * | . | trans | -92.7 | 109.2 | 176.5 | -169.1 | 175.2 | 177.9 | 0 | 0 | 110.3 | ||||
| 95 | I | 88.8 | Confident | 77.5 | Confident | 21 Ų | 21 | 84.3 Ų | 84.3 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | trans | -90.9 | 99.9 | 170.6 | -57.3 | -179.6 | 0 | 0 | 0 | 108.2 | I75 L93 V97 L100 L116 F127 L131 | I75-I95 HydrophobicContact CG2-CD1 3.95Å; L93-I95 HydrophobicContact CG-CG1 4.49Å; I95-V97 PolarHBondContact O-N 3.5Å; I95-V97 VanDerWaalsContact O-N 3.1Å; I95-L100 HydrophobicContact CG2-CD1 3.78Å; I95-L116 HydrophobicContact CG1-CD1 4.22Å; I95-F127 HydrophobicContact CD1-CE1 4.12Å; I95-F127 HydrophobicContact CD1-CZ 3.81Å; I95-L131 HydrophobicContact CD1-CD2 4.41Å; I95-L131 HydrophobicContact CG2-CD2 4.25Å | ||
| 96 | D | 89.9 | Confident | 79.1 | Confident | 65 Ų | 65 | 85.7 Ų | 85.7 | 35% | 0.348 | 42% | 0.423 | S | S | . | . | trans | -75.6 | 99.1 | 173.6 | -170.8 | -13.7 | 0 | 0 | 0 | 110.6 | D98 E99 L100 | D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 3.15Å; D96-D98 WeakPolarHBondContact OD1-CA 3.48Å; D96-D98 WeakPolarHBondContact OD1-CB 3.46Å; D96-D98 PolarHBondContact OD1-N 3.24Å; D96-E99 HydrophobicContact CB-CB 3.81Å; D96-E99 WeakPolarHBondContact O-CB 3.37Å; D96-E99 PolarHBondContact O-N 3.47Å; D96-E99 PolarHBondContact OD1-N 3.01Å; D96-E99 VanDerWaalsContact OD1-N 3.16Å; D96-L100 WeakPolarHBondContact O-CG 3.46Å; D96-L100 PolarHBondContact O-N 2.98Å; D96-L100 VanDerWaalsContact O-N 3.08Å | ||
| 97 | V | 91.1 | Very high | 81 | Confident | 2 Ų | 2 | 84.8 Ų | 84.8 | 1% | 0.012 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.8 | -27.7 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 112 | R68 L71 I75 I95 L100 L101 I135 M138 | R68-V97 VanDerWaalsContact CZ-CB 3.46Å; R68-V97 VanDerWaalsContact NH1-CB 3.25Å; R68-V97 VanDerWaalsContact NH1-CG1 3.33Å; L71-V97 HydrophobicContact CD2-CB 4.47Å; L71-V97 HydrophobicContact CD2-CG1 3.95Å; L71-V97 HydrophobicContact CD2-CG2 3.66Å; I75-V97 HydrophobicContact CD1-CG2 4.47Å; I95-V97 PolarHBondContact O-N 3.5Å; I95-V97 VanDerWaalsContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 2.97Å; V97-L101 HydrophobicContact CG1-CD1 4.08Å; V97-L101 HydrophobicContact CG1-CG 4.27Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.22Å; V97-L101 WeakPolarHBondContact O-CG 3.37Å; V97-L101 PolarHBondContact O-N 3.39Å; V97-I135 HydrophobicContact CG1-CG2 4.01Å; V97-M138 HydrophobicContact CG1-CE 4.28Å |
| 98 | D | 89.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 176.4 | -72 | 2.3 | 0 | 0 | 0 | 110.3 | R68 D96 L101 D102 | R68-D98 IonicContact NH1-OD1 2.72Å; R68-D98 PolarHBondContact NH1-OD1 2.83Å; D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 3.15Å; D96-D98 WeakPolarHBondContact OD1-CA 3.48Å; D96-D98 WeakPolarHBondContact OD1-CB 3.46Å; D96-D98 PolarHBondContact OD1-N 3.24Å; D98-L101 PolarHBondContact O-N 3.39Å; D98-D102 VanDerWaalsContact O-CG 3.29Å; D98-D102 PolarHBondContact O-N 3.14Å |
| 99 | E | 92.2 | Very high | 85.1 | Confident | 64 Ų | 64 | 72 Ų | 72 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 169.8 | -165.1 | -163 | 145.2 | 0 | 0 | 110.8 | D96 L101 D102 M103 R112 | D96-E99 HydrophobicContact CB-CB 3.81Å; D96-E99 WeakPolarHBondContact O-CB 3.37Å; D96-E99 PolarHBondContact O-N 3.47Å; D96-E99 PolarHBondContact OD1-N 3.01Å; D96-E99 VanDerWaalsContact OD1-N 3.16Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.17Å; E99-D102 PolarHBondContact O-N 3.3Å; E99-M103 HydrophobicContact CG-CE 4.13Å; E99-M103 PolarHBondContact O-N 3.13Å; E99-M103 WeakPolarHBondContact OE1-CE 3.21Å; E99-R112 IonicContact OE1-CZ 3.71Å; E99-R112 IonicContact OE1-NE 2.96Å; E99-R112 PolarHBondContact OE1-NE 3.31Å; E99-R112 IonicContact OE1-NH2 2.81Å; E99-R112 PolarHBondContact OE1-NH2 3.5Å; E99-R112 IonicContact OE2-CZ 2.66Å; E99-R112 IonicContact OE2-NE 3.66Å; E99-R112 IonicContact OE2-NH2 3.42Å; E99-R112 PolarHBondContact OE2-NH2 3.04Å |
| 100 | L | 92.3 | Very high | 87 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 178.3 | -63.9 | 179.6 | 0 | 0 | 0 | 112.5 | I95 D96 V97 D102 M103 R109 R112 V113 L131 I135 | I95-L100 HydrophobicContact CG2-CD1 3.78Å; D96-L100 WeakPolarHBondContact O-CG 3.46Å; D96-L100 PolarHBondContact O-N 2.98Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 2.97Å; L100-D102 VanDerWaalsContact C-N 3.3Å; L100-D102 PolarHBondContact O-N 2.78Å; L100-M103 HydrophobicContact CD2-SD 4.38Å; L100-M103 PolarHBondContact O-N 3.46Å; L100-R109 HydrophobicContact CD2-CB 4.28Å; L100-R109 WeakPolarHBondContact O-CD 3.26Å; L100-R109 WeakPolarHBondContact O-CG 3.35Å; L100-R109 PolarHBondContact O-NE 2.92Å; L100-R112 HydrophobicContact CD2-CB 4.09Å; L100-R112 HydrophobicContact CD2-CG 4.04Å; L100-V113 HydrophobicContact CD1-CG2 3.87Å; L100-V113 HydrophobicContact CD2-CG2 4Å; L100-L131 HydrophobicContact CD1-CD2 4.25Å; L100-I135 HydrophobicContact CB-CD1 3.99Å; L100-I135 HydrophobicContact CD1-CD1 4.33Å |
| 101 | L | 91.3 | Very high | 88.6 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.9 | -28 | 176.9 | -74.3 | 173 | 0 | 0 | 0 | 112.7 | V97 D98 E99 M103 I135 M138 | V97-L101 HydrophobicContact CG1-CD1 4.08Å; V97-L101 HydrophobicContact CG1-CG 4.27Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.22Å; V97-L101 WeakPolarHBondContact O-CG 3.37Å; V97-L101 PolarHBondContact O-N 3.39Å; D98-L101 PolarHBondContact O-N 3.39Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.17Å; L101-M103 VanDerWaalsContact C-N 3.3Å; L101-I135 HydrophobicContact CD2-CB 4.3Å; L101-I135 WeakPolarHBondContact CD2-O 3.39Å; L101-M138 HydrophobicContact CD1-CB 4.36Å; L101-M138 HydrophobicContact CD2-CB 4.37Å |
| 102 | D | 90.6 | Very high | 89.9 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.7 | -19.7 | 175.9 | -73.3 | -21.3 | 0 | 0 | 0 | 113 | D98 E99 L100 K140 | D98-D102 VanDerWaalsContact O-CG 3.29Å; D98-D102 PolarHBondContact O-N 3.14Å; E99-D102 PolarHBondContact O-N 3.3Å; L100-D102 VanDerWaalsContact C-N 3.3Å; L100-D102 PolarHBondContact O-N 2.78Å; D102-K140 IonicContact OD1-NZ 3.04Å; D102-K140 PolarHBondContact OD1-NZ 2.7Å; D102-K140 IonicContact OD2-NZ 3.43Å; D102-K140 PolarHBondContact OD2-NZ 2.82Å |
| 103 | M | 92.8 | Very high | 91 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 20% | 0.197 | 31% | 0.306 | C | S | . | . | trans | -74.7 | 140.6 | 176.2 | -63.1 | -177.1 | -175.2 | 0 | 0 | 111.7 | E99 L100 L101 A108 R109 R112 | E99-M103 HydrophobicContact CG-CE 4.13Å; E99-M103 PolarHBondContact O-N 3.13Å; E99-M103 WeakPolarHBondContact OE1-CE 3.21Å; L100-M103 HydrophobicContact CD2-SD 4.38Å; L100-M103 PolarHBondContact O-N 3.46Å; L101-M103 VanDerWaalsContact C-N 3.3Å; M103-A108 HydrophobicContact SD-CB 4.26Å; M103-R109 HydrophobicContact CB-CG 3.69Å; M103-R109 HydrophobicContact CG-CG 4.41Å; M103-R109 PolarHBondContact O-NE 3.46Å; M103-R109 VanDerWaalsContact O-NE 3.13Å; M103-R109 PolarHBondContact O-NH2 3.13Å; M103-R109 HydrophobicContact SD-CG 4.08Å; M103-R112 HydrophobicContact CE-CB 3.83Å; M103-R112 HydrophobicContact CE-CG 3.69Å; M103-R112 HydrophobicContact SD-CB 4.15Å | ||
| 104 | E | 87.9 | Confident | 91.7 | Very high | 201 Ų | 201 | 61 Ų | 61 | 94% | 0.939 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -83.8 | -24.8 | -173.6 | -61 | -177 | 127.6 | 0 | 0 | 114 | ||
| 105 | S | 92.6 | Very high | 92 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | trans | -122.7 | 145.1 | -176.2 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | D107 A108 R109 | S105-D107 PolarHBondContact O-N 3.42Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-A108 VanDerWaalsContact OG-CB 3.26Å; S105-A108 WeakPolarHBondContact OG-CB 3.42Å; S105-A108 PolarHBondContact OG-N 2.96Å; S105-A108 VanDerWaalsContact OG-N 3.17Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 3.35Å; S105-R109 VanDerWaalsContact O-N 3.14Å | ||
| 106 | D | 93.8 | Very high | 92 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -31.5 | 174.5 | -66.1 | -31.2 | 0 | 0 | 0 | 112 | R109 A110 L132 R136 | D106-R109 PolarHBondContact O-N 3.36Å; D106-R109 IonicContact OD1-NH1 3.06Å; D106-R109 PolarHBondContact OD1-NH1 3.5Å; D106-A110 VanDerWaalsContact O-CB 3.25Å; D106-A110 WeakPolarHBondContact O-CB 3.45Å; D106-A110 PolarHBondContact O-N 2.92Å; D106-L132 HydrophobicContact CB-CD1 4.33Å; D106-R136 IonicContact OD1-CZ 3.34Å; D106-R136 IonicContact OD1-NH1 2.71Å; D106-R136 IonicContact OD1-NH2 3.02Å; D106-R136 IonicContact OD2-CZ 3.98Å; D106-R136 IonicContact OD2-NH1 3.95Å; D106-R136 PolarHBondContact OD2-NH1 2.76Å; D106-R136 IonicContact OD2-NH2 2.88Å; D106-R136 PolarHBondContact OD2-NH2 3.06Å |
| 107 | D | 94.1 | Very high | 91.9 | Very high | 137 Ų | 137 | 57.4 Ų | 57.4 | 73% | 0.733 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 176.6 | -65.5 | -27 | 0 | 0 | 0 | 111.6 | S105 A110 A111 | S105-D107 PolarHBondContact O-N 3.42Å; D107-A110 PolarHBondContact O-N 2.89Å; D107-A111 WeakPolarHBondContact O-CB 3.42Å; D107-A111 PolarHBondContact O-N 3.03Å |
| 108 | A | 94.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M103 S105 A110 A111 R112 | M103-A108 HydrophobicContact SD-CB 4.26Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-A108 VanDerWaalsContact OG-CB 3.26Å; S105-A108 WeakPolarHBondContact OG-CB 3.42Å; S105-A108 PolarHBondContact OG-N 2.96Å; S105-A108 VanDerWaalsContact OG-N 3.17Å; A108-A110 PolarHBondContact O-N 2.81Å; A108-A111 PolarHBondContact O-N 3.26Å; A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.05Å |
| 109 | R | 95.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 175 | -65.4 | 168.7 | -175.2 | -178.9 | -4.6 | 111.4 | L100 M103 S105 D106 R112 V113 L132 | L100-R109 HydrophobicContact CD2-CB 4.28Å; L100-R109 WeakPolarHBondContact O-CD 3.26Å; L100-R109 WeakPolarHBondContact O-CG 3.35Å; L100-R109 PolarHBondContact O-NE 2.92Å; M103-R109 HydrophobicContact CB-CG 3.69Å; M103-R109 HydrophobicContact CG-CG 4.41Å; M103-R109 PolarHBondContact O-NE 3.46Å; M103-R109 VanDerWaalsContact O-NE 3.13Å; M103-R109 PolarHBondContact O-NH2 3.13Å; M103-R109 HydrophobicContact SD-CG 4.08Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 3.35Å; S105-R109 VanDerWaalsContact O-N 3.14Å; D106-R109 PolarHBondContact O-N 3.36Å; D106-R109 IonicContact OD1-NH1 3.06Å; D106-R109 PolarHBondContact OD1-NH1 3.5Å; R109-R112 PolarHBondContact O-N 3.18Å; R109-V113 VanDerWaalsContact O-CG2 3.3Å; R109-V113 WeakPolarHBondContact O-CG2 3.4Å; R109-V113 PolarHBondContact O-N 3.03Å; R109-L132 HydrophobicContact CB-CD2 3.39Å; R109-L132 HydrophobicContact CG-CD2 4.37Å |
| 110 | A | 94.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 64 Ų | 64 | 20% | 0.198 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D106 D107 A108 R112 V113 K114 I128 L132 | D106-A110 VanDerWaalsContact O-CB 3.25Å; D106-A110 WeakPolarHBondContact O-CB 3.45Å; D106-A110 PolarHBondContact O-N 2.92Å; D107-A110 PolarHBondContact O-N 2.89Å; A108-A110 PolarHBondContact O-N 2.81Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 3.02Å; A110-V113 PolarHBondContact O-N 3.18Å; A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.33Å; A110-K114 PolarHBondContact O-N 3.35Å; A110-I128 HydrophobicContact CB-CG2 3.71Å; A110-L132 HydrophobicContact CB-CD1 4.08Å |
| 111 | A | 94.4 | Very high | 89.5 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D107 A108 V113 K114 E115 | D107-A111 WeakPolarHBondContact O-CB 3.42Å; D107-A111 PolarHBondContact O-N 3.03Å; A108-A111 PolarHBondContact O-N 3.26Å; A111-V113 PolarHBondContact O-N 2.89Å; A111-K114 WeakPolarHBondContact O-CB 3.39Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-K114 VanDerWaalsContact O-N 3.13Å; A111-E115 WeakPolarHBondContact O-CG 3.38Å; A111-E115 PolarHBondContact O-N 3.01Å |
| 112 | R | 94.1 | Very high | 89.1 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 30% | 0.302 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 177.5 | -174.2 | 60.8 | 167.7 | 147 | 7.7 | 112.6 | E99 L100 M103 A108 R109 A110 K114 E115 L116 | E99-R112 IonicContact OE1-CZ 3.71Å; E99-R112 IonicContact OE1-NE 2.96Å; E99-R112 PolarHBondContact OE1-NE 3.31Å; E99-R112 IonicContact OE1-NH2 2.81Å; E99-R112 PolarHBondContact OE1-NH2 3.5Å; E99-R112 IonicContact OE2-CZ 2.66Å; E99-R112 IonicContact OE2-NE 3.66Å; E99-R112 IonicContact OE2-NH2 3.42Å; E99-R112 PolarHBondContact OE2-NH2 3.04Å; L100-R112 HydrophobicContact CD2-CB 4.09Å; L100-R112 HydrophobicContact CD2-CG 4.04Å; M103-R112 HydrophobicContact CE-CB 3.83Å; M103-R112 HydrophobicContact CE-CG 3.69Å; M103-R112 HydrophobicContact SD-CB 4.15Å; A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.05Å; R109-R112 PolarHBondContact O-N 3.18Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 3.02Å; R112-K114 VanDerWaalsContact C-N 3.27Å; R112-K114 PolarHBondContact O-N 2.63Å; R112-E115 IonicContact NH1-OE2 3.96Å; R112-E115 PolarHBondContact O-N 3.1Å; R112-L116 WeakPolarHBondContact O-CG 3.3Å; R112-L116 PolarHBondContact O-N 3.08Å |
| 113 | V | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -34.8 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 111 | L100 R109 A110 A111 L116 L117 F127 I128 L131 | L100-V113 HydrophobicContact CD1-CG2 3.87Å; L100-V113 HydrophobicContact CD2-CG2 4Å; R109-V113 VanDerWaalsContact O-CG2 3.3Å; R109-V113 WeakPolarHBondContact O-CG2 3.4Å; R109-V113 PolarHBondContact O-N 3.03Å; A110-V113 PolarHBondContact O-N 3.18Å; A111-V113 PolarHBondContact O-N 2.89Å; V113-L116 WeakPolarHBondContact O-CB 3.49Å; V113-L116 PolarHBondContact O-N 3.32Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 WeakPolarHBondContact O-CG 3.46Å; V113-L117 PolarHBondContact O-N 2.96Å; V113-F127 HydrophobicContact CG1-CD1 4.19Å; V113-F127 HydrophobicContact CG1-CE1 3.78Å; V113-I128 HydrophobicContact CB-CG1 4.41Å; V113-I128 HydrophobicContact CG1-CG1 3.87Å; V113-L131 HydrophobicContact CG1-CD2 4.01Å; V113-L131 HydrophobicContact CG2-CD2 3.71Å |
| 114 | K | 90.6 | Very high | 88.8 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 177.8 | -167 | 165.8 | -172.9 | 155.2 | 0 | 112.7 | A110 A111 R112 L116 L117 V118 E125 I128 | A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.33Å; A110-K114 PolarHBondContact O-N 3.35Å; A111-K114 WeakPolarHBondContact O-CB 3.39Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-K114 VanDerWaalsContact O-N 3.13Å; R112-K114 VanDerWaalsContact C-N 3.27Å; R112-K114 PolarHBondContact O-N 2.63Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L117 CarbonylContact O-C 3.5Å; K114-L117 PolarHBondContact O-N 3.49Å; K114-V118 PolarHBondContact O-N 3.06Å; K114-E125 IonicContact NZ-OE1 2.74Å; K114-E125 PolarHBondContact NZ-OE1 3.37Å; K114-I128 HydrophobicContact CB-CD1 4.12Å; K114-I128 HydrophobicContact CG-CD1 4.45Å |
| 115 | E | 90.7 | Very high | 88.9 | Confident | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 172 | -72.7 | 177.5 | 173.1 | 0 | 0 | 111.7 | A111 R112 L117 V118 | A111-E115 WeakPolarHBondContact O-CG 3.38Å; A111-E115 PolarHBondContact O-N 3.01Å; R112-E115 IonicContact NH1-OE2 3.96Å; R112-E115 PolarHBondContact O-N 3.1Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.18Å; E115-V118 WeakPolarHBondContact O-CB 3.43Å; E115-V118 WeakPolarHBondContact O-CG1 3.2Å; E115-V118 PolarHBondContact O-N 3.37Å |
| 116 | L | 88.6 | Confident | 88.8 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 174.9 | -72.2 | 176.8 | 0 | 0 | 0 | 111.3 | L93 I95 R112 V113 K114 V118 | L93-L116 HydrophobicContact CD1-CB 3.73Å; L93-L116 HydrophobicContact CD1-CD2 4.13Å; L93-L116 HydrophobicContact CD1-CG 4.45Å; L93-L116 WeakPolarHBondContact CD1-O 3.44Å; I95-L116 HydrophobicContact CG1-CD1 4.22Å; R112-L116 WeakPolarHBondContact O-CG 3.3Å; R112-L116 PolarHBondContact O-N 3.08Å; V113-L116 WeakPolarHBondContact O-CB 3.49Å; V113-L116 PolarHBondContact O-N 3.32Å; K114-L116 VanDerWaalsContact C-N 3.33Å; L116-V118 VanDerWaalsContact C-N 3.33Å; L116-V118 PolarHBondContact O-N 3.19Å |
| 117 | L | 87.3 | Confident | 88.7 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 21.4 | -180 | -63.2 | 171.8 | 0 | 0 | 0 | 114.5 | L79 L82 Y83 L93 V113 K114 E115 D119 C120 T124 F127 | L79-L117 HydrophobicContact CD2-CD2 3.85Å; L82-L117 HydrophobicContact CD2-CD2 4.27Å; Y83-L117 HydrophobicContact CE2-CD2 4.1Å; L93-L117 HydrophobicContact CD2-CD2 3.6Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 WeakPolarHBondContact O-CG 3.46Å; V113-L117 PolarHBondContact O-N 2.96Å; K114-L117 CarbonylContact O-C 3.5Å; K114-L117 PolarHBondContact O-N 3.49Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.18Å; L117-D119 PolarHBondContact O-N 3.33Å; L117-D119 VanDerWaalsContact O-N 3.16Å; L117-C120 HydrophobicContact CB-CB 4.35Å; L117-C120 VanDerWaalsContact O-CB 3.25Å; L117-C120 WeakPolarHBondContact O-CB 3.44Å; L117-C120 PolarHBondContact O-N 2.82Å; L117-T124 HydrophobicContact CB-CG2 4.05Å; L117-T124 HydrophobicContact CD1-CG2 3.85Å; L117-F127 HydrophobicContact CD1-CD1 3.55Å; L117-F127 HydrophobicContact CD1-CE1 3.78Å |
| 118 | V | 82.4 | Confident | 88.7 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 65% | 0.648 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.5 | -174.1 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | K114 E115 L116 C120 | K114-V118 PolarHBondContact O-N 3.06Å; E115-V118 WeakPolarHBondContact O-CB 3.43Å; E115-V118 WeakPolarHBondContact O-CG1 3.2Å; E115-V118 PolarHBondContact O-N 3.37Å; L116-V118 VanDerWaalsContact C-N 3.33Å; L116-V118 PolarHBondContact O-N 3.19Å; V118-C120 VanDerWaalsContact C-N 3.27Å; V118-C120 PolarHBondContact O-N 3.35Å |
| 119 | D | 78.5 | Confident | 88.7 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.1 | 179.9 | -62.2 | -43.4 | 0 | 0 | 0 | 113.2 | L117 Y121 | L117-D119 PolarHBondContact O-N 3.33Å; L117-D119 VanDerWaalsContact O-N 3.16Å; D119-Y121 WeakPolarHBondContact O-CD2 3.43Å; D119-Y121 WeakPolarHBondContact O-CE2 3.21Å |
| 120 | C | 79.7 | Confident | 88.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | trans | -81.7 | 122.4 | 176 | -163.6 | 0 | 0 | 0 | 0 | 111.8 | L82 Y83 L117 V118 K122 T124 | L82-C120 HydrophobicContact CD2-CB 4.31Å; L82-C120 WeakPolarHBondContact CD2-SG 3.41Å; Y83-C120 HydrophobicContact CE1-CB 3.95Å; Y83-C120 WeakPolarHBondContact OH-CB 3.43Å; L117-C120 HydrophobicContact CB-CB 4.35Å; L117-C120 VanDerWaalsContact O-CB 3.25Å; L117-C120 WeakPolarHBondContact O-CB 3.44Å; L117-C120 PolarHBondContact O-N 2.82Å; V118-C120 VanDerWaalsContact C-N 3.27Å; V118-C120 PolarHBondContact O-N 3.35Å; C120-K122 VanDerWaalsContact C-N 3.35Å; C120-T124 HydrophobicContact CB-CG2 3.9Å | ||
| 121 | Y | 74.9 | Confident | 88.6 | Confident | 230 Ų | 230 | 64.9 Ų | 64.9 | 90% | 0.902 | 35% | 0.347 | S | S | * | . | trans | -86.9 | -3.1 | 176.3 | -58.4 | -83.5 | 0 | 0 | 0 | 113.8 | D119 | D119-Y121 WeakPolarHBondContact O-CD2 3.43Å; D119-Y121 WeakPolarHBondContact O-CE2 3.21Å | ||
| 122 | K | 82.8 | Confident | 88.6 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -100.4 | 158.2 | 180 | -66.3 | -154.3 | -157.5 | 160.5 | 0 | 111.3 | R81 L82 D84 C120 T124 | R81-K122 PolarHBondContact O-NZ 3.33Å; L82-K122 WeakPolarHBondContact O-CD 3.43Å; L82-K122 WeakPolarHBondContact O-CE 3.44Å; L82-K122 PolarHBondContact O-NZ 2.9Å; D84-K122 IonicContact OD1-NZ 3.25Å; D84-K122 IonicContact OD2-NZ 3.37Å; D84-K122 PolarHBondContact OD2-NZ 3.16Å; C120-K122 VanDerWaalsContact C-N 3.35Å; K122-T124 WeakPolarHBondContact O-CG2 3.31Å; K122-T124 PolarHBondContact O-N 3.41Å |
| 123 | P | 85.3 | Confident | 88.6 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 73% | 0.734 | 34% | 0.343 | S | S | * | . | trans | -63 | 118.8 | 175.8 | 25.2 | -34.6 | 0 | 0 | 0 | 111.5 | ||||
| 124 | T | 90.6 | Very high | 88.6 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 9% | 0.086 | 36% | 0.36 | C | S | . | . | trans | -94.3 | -9.4 | -177.2 | 58 | 0 | 0 | 0 | 0 | 113.9 | L82 L117 C120 K122 A126 F127 I128 | L82-T124 HydrophobicContact CD2-CG2 4.21Å; L117-T124 HydrophobicContact CB-CG2 4.05Å; L117-T124 HydrophobicContact CD1-CG2 3.85Å; C120-T124 HydrophobicContact CB-CG2 3.9Å; K122-T124 WeakPolarHBondContact O-CG2 3.31Å; K122-T124 PolarHBondContact O-N 3.41Å; T124-A126 VanDerWaalsContact C-N 3.3Å; T124-A126 PolarHBondContact O-N 3.08Å; T124-F127 WeakPolarHBondContact O-CA 3.43Å; T124-F127 WeakPolarHBondContact O-CB 3.43Å; T124-F127 PolarHBondContact O-N 3.16Å; T124-I128 WeakPolarHBondContact O-CG1 3.43Å; T124-I128 PolarHBondContact O-N 3.29Å | ||
| 125 | E | 90.3 | Very high | 88.7 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -37.5 | -173.1 | -58.9 | -62.4 | 151.4 | 0 | 0 | 113.1 | K114 S129 | K114-E125 IonicContact NZ-OE1 2.74Å; K114-E125 PolarHBondContact NZ-OE1 3.37Å; E125-S129 WeakPolarHBondContact O-CB 3.48Å; E125-S129 PolarHBondContact O-N 3.04Å; E125-S129 PolarHBondContact O-OG 2.74Å |
| 126 | A | 91.1 | Very high | 88.6 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 66% | 0.661 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.6 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T124 S129 G130 | T124-A126 VanDerWaalsContact C-N 3.3Å; T124-A126 PolarHBondContact O-N 3.08Å; A126-S129 WeakPolarHBondContact CA-OG 3.5Å; A126-S129 PolarHBondContact O-OG 3.06Å; A126-S129 VanDerWaalsContact O-OG 3.12Å; A126-G130 PolarHBondContact O-N 2.81Å; A126-G130 VanDerWaalsContact O-N 3.14Å |
| 127 | F | 91.8 | Very high | 88.4 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.3 | -47.6 | 174.7 | 170.8 | -99 | 0 | 0 | 0 | 110.9 | W74 I75 Q78 L79 L82 I95 V113 L117 T124 G130 L131 | W74-F127 HydrophobicContact CH2-CD2 4.07Å; W74-F127 HydrophobicContact CH2-CE2 4.2Å; W74-F127 HydrophobicContact CZ3-CD2 4.41Å; W74-F127 HydrophobicContact CZ3-CE2 4.07Å; I75-F127 HydrophobicContact CG2-CZ 4.31Å; Q78-F127 HydrophobicContact CB-CD2 3.55Å; Q78-F127 HydrophobicContact CB-CE2 3.84Å; Q78-F127 HydrophobicContact CG-CD2 4.19Å; L79-F127 HydrophobicContact CD2-CE2 4.33Å; L79-F127 HydrophobicContact CD2-CZ 4.11Å; L79-F127 HydrophobicContact CG-CE2 4.35Å; L79-F127 HydrophobicContact CG-CZ 4.36Å; L82-F127 HydrophobicContact CD1-CB 4.47Å; I95-F127 HydrophobicContact CD1-CE1 4.12Å; I95-F127 HydrophobicContact CD1-CZ 3.81Å; V113-F127 HydrophobicContact CG1-CD1 4.19Å; V113-F127 HydrophobicContact CG1-CE1 3.78Å; L117-F127 HydrophobicContact CD1-CD1 3.55Å; L117-F127 HydrophobicContact CD1-CE1 3.78Å; T124-F127 WeakPolarHBondContact O-CA 3.43Å; T124-F127 WeakPolarHBondContact O-CB 3.43Å; T124-F127 PolarHBondContact O-N 3.16Å; F127-G130 PolarHBondContact O-N 3.4Å; F127-L131 HydrophobicContact CE1-CD2 4.05Å; F127-L131 HydrophobicContact CZ-CD2 4.15Å; F127-L131 WeakPolarHBondContact O-CB 3.36Å; F127-L131 PolarHBondContact O-N 2.63Å |
| 128 | I | 93.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.8 | -52.6 | -179.8 | -65.8 | 167.4 | 0 | 0 | 0 | 109.9 | A110 V113 K114 T124 G130 L131 L132 | A110-I128 HydrophobicContact CB-CG2 3.71Å; V113-I128 HydrophobicContact CB-CG1 4.41Å; V113-I128 HydrophobicContact CG1-CG1 3.87Å; K114-I128 HydrophobicContact CB-CD1 4.12Å; K114-I128 HydrophobicContact CG-CD1 4.45Å; T124-I128 WeakPolarHBondContact O-CG1 3.43Å; T124-I128 PolarHBondContact O-N 3.29Å; I128-G130 PolarHBondContact O-N 2.93Å; I128-L131 PolarHBondContact O-N 2.72Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.37Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 2.94Å |
| 129 | S | 94.4 | Very high | 88.8 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58 | -46.5 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | E125 A126 L131 L132 D133 | E125-S129 WeakPolarHBondContact O-CB 3.48Å; E125-S129 PolarHBondContact O-N 3.04Å; E125-S129 PolarHBondContact O-OG 2.74Å; A126-S129 WeakPolarHBondContact CA-OG 3.5Å; A126-S129 PolarHBondContact O-OG 3.06Å; A126-S129 VanDerWaalsContact O-OG 3.12Å; S129-L131 VanDerWaalsContact C-N 3.32Å; S129-L131 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.37Å; S129-D133 PolarHBondContact O-N 2.74Å |
| 130 | G | 94.2 | Very high | 89 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W74 A126 F127 I128 K134 | W74-G130 VanDerWaalsContact CH2-C 3.44Å; A126-G130 PolarHBondContact O-N 2.81Å; A126-G130 VanDerWaalsContact O-N 3.14Å; F127-G130 PolarHBondContact O-N 3.4Å; I128-G130 PolarHBondContact O-N 2.93Å; G130-K134 WeakPolarHBondContact O-CG 3.43Å; G130-K134 PolarHBondContact O-N 3.15Å |
| 131 | L | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -48.2 | 177 | 175.6 | 57.3 | 0 | 0 | 0 | 110.2 | L71 W74 I75 I95 L100 V113 F127 I128 S129 D133 K134 I135 | L71-L131 HydrophobicContact CD1-CD1 3.9Å; L71-L131 HydrophobicContact CD2-CD1 4.48Å; W74-L131 HydrophobicContact CH2-CB 4.01Å; W74-L131 VanDerWaalsContact CH2-N 3.28Å; W74-L131 HydrophobicContact CZ3-CB 3.85Å; W74-L131 HydrophobicContact CZ3-CD1 4.06Å; I75-L131 HydrophobicContact CD1-CD1 3.82Å; I75-L131 HydrophobicContact CG1-CD1 4.05Å; I95-L131 HydrophobicContact CD1-CD2 4.41Å; I95-L131 HydrophobicContact CG2-CD2 4.25Å; L100-L131 HydrophobicContact CD1-CD2 4.25Å; V113-L131 HydrophobicContact CG1-CD2 4.01Å; V113-L131 HydrophobicContact CG2-CD2 3.71Å; F127-L131 HydrophobicContact CE1-CD2 4.05Å; F127-L131 HydrophobicContact CZ-CD2 4.15Å; F127-L131 WeakPolarHBondContact O-CB 3.36Å; F127-L131 PolarHBondContact O-N 2.63Å; I128-L131 PolarHBondContact O-N 2.72Å; S129-L131 VanDerWaalsContact C-N 3.32Å; S129-L131 PolarHBondContact O-N 2.94Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.89Å; L131-K134 PolarHBondContact O-N 3.03Å; L131-K134 VanDerWaalsContact O-N 3.14Å; L131-I135 HydrophobicContact CD1-CG2 4.03Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 3.08Å |
| 132 | L | 94.3 | Very high | 88.8 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 177.6 | -66.8 | 176.1 | 0 | 0 | 0 | 111.6 | D106 R109 A110 I128 S129 K134 I135 R136 | D106-L132 HydrophobicContact CB-CD1 4.33Å; R109-L132 HydrophobicContact CB-CD2 3.39Å; R109-L132 HydrophobicContact CG-CD2 4.37Å; A110-L132 HydrophobicContact CB-CD1 4.08Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.37Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.37Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 2.89Å; L132-I135 HydrophobicContact CD2-CD1 4Å; L132-I135 VanDerWaalsContact O-CG1 3.23Å; L132-I135 WeakPolarHBondContact O-CG1 3.22Å; L132-I135 PolarHBondContact O-N 3.34Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.02Å; L132-R136 VanDerWaalsContact O-N 3.09Å |
| 133 | D | 94.2 | Very high | 87.8 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.7 | -35.8 | 178.7 | -74.9 | -18.9 | 0 | 0 | 0 | 112.9 | S129 L131 R136 | S129-D133 PolarHBondContact O-N 2.74Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.89Å; D133-R136 IonicContact OD1-NE 3.51Å; D133-R136 PolarHBondContact OD1-NE 3.24Å |
| 134 | K | 91.9 | Very high | 86.4 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 176.4 | -76.5 | 171 | 171.1 | -103.3 | 0 | 112.4 | L71 W74 G130 L131 L132 R136 G137 | L71-K134 HydrophobicContact CD1-CB 3.77Å; L71-K134 HydrophobicContact CD1-CD 3.81Å; L71-K134 HydrophobicContact CD1-CG 4.41Å; W74-K134 HydrophobicContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CE2-CE 3.41Å; W74-K134 HydrophobicContact CE3-CD 3.47Å; W74-K134 VanDerWaalsContact CE3-CD 3.47Å; W74-K134 HydrophobicContact CG-CD 3.93Å; W74-K134 HydrophobicContact CH2-CD 4.28Å; W74-K134 HydrophobicContact CZ2-CD 4.22Å; W74-K134 HydrophobicContact CZ3-CD 3.92Å; G130-K134 WeakPolarHBondContact O-CG 3.43Å; G130-K134 PolarHBondContact O-N 3.15Å; L131-K134 PolarHBondContact O-N 3.03Å; L131-K134 VanDerWaalsContact O-N 3.14Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 2.89Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 2.8Å; K134-G137 PolarHBondContact O-N 3.24Å |
| 135 | I | 92 | Very high | 84.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.7 | -24.1 | -178.4 | 64.6 | 175.2 | 0 | 0 | 0 | 112.9 | L71 V97 L100 L101 L131 L132 G137 M138 | L71-I135 HydrophobicContact CD2-CG2 3.79Å; V97-I135 HydrophobicContact CG1-CG2 4.01Å; L100-I135 HydrophobicContact CB-CD1 3.99Å; L100-I135 HydrophobicContact CD1-CD1 4.33Å; L101-I135 HydrophobicContact CD2-CB 4.3Å; L101-I135 WeakPolarHBondContact CD2-O 3.39Å; L131-I135 HydrophobicContact CD1-CG2 4.03Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 3.08Å; L132-I135 HydrophobicContact CD2-CD1 4Å; L132-I135 VanDerWaalsContact O-CG1 3.23Å; L132-I135 WeakPolarHBondContact O-CG1 3.22Å; L132-I135 PolarHBondContact O-N 3.34Å; I135-G137 PolarHBondContact O-N 2.76Å; I135-G137 VanDerWaalsContact O-N 3.1Å; I135-M138 HydrophobicContact CG2-SD 4.32Å; I135-M138 PolarHBondContact O-N 2.7Å |
| 136 | R | 89.1 | Confident | 82.5 | Confident | 140 Ų | 140 | 69.6 Ų | 69.6 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.8 | 173.2 | -78.2 | 178.9 | -154.2 | -80.6 | -3.1 | 113.3 | D106 L132 D133 K134 | D106-R136 IonicContact OD1-CZ 3.34Å; D106-R136 IonicContact OD1-NH1 2.71Å; D106-R136 IonicContact OD1-NH2 3.02Å; D106-R136 IonicContact OD2-CZ 3.98Å; D106-R136 IonicContact OD2-NH1 3.95Å; D106-R136 PolarHBondContact OD2-NH1 2.76Å; D106-R136 IonicContact OD2-NH2 2.88Å; D106-R136 PolarHBondContact OD2-NH2 3.06Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.02Å; L132-R136 VanDerWaalsContact O-N 3.09Å; D133-R136 IonicContact OD1-NE 3.51Å; D133-R136 PolarHBondContact OD1-NE 3.24Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 2.8Å |
| 137 | G | 84.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K67 K134 I135 | K67-G137 PolarHBondContact NZ-O 2.96Å; K134-G137 PolarHBondContact O-N 3.24Å; I135-G137 PolarHBondContact O-N 2.76Å; I135-G137 VanDerWaalsContact O-N 3.1Å |
| 138 | M | 89.5 | Confident | 79.6 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | trans | -101.7 | 152.5 | -174.1 | -67.3 | -180 | 70 | 0 | 0 | 112.2 | E64 R68 L71 V97 L101 I135 | E64-M138 WeakPolarHBondContact OE1-CA 3.41Å; E64-M138 WeakPolarHBondContact OE1-CB 3.18Å; R68-M138 HydrophobicContact CB-CE 4.13Å; L71-M138 HydrophobicContact CB-CE 4.22Å; L71-M138 HydrophobicContact CB-SD 4.07Å; L71-M138 HydrophobicContact CD2-CE 3.77Å; L71-M138 HydrophobicContact CD2-SD 3.36Å; L71-M138 WeakPolarHBondContact CD2-SD 3.44Å; L71-M138 HydrophobicContact CG-SD 4.22Å; V97-M138 HydrophobicContact CG1-CE 4.28Å; L101-M138 HydrophobicContact CD1-CB 4.36Å; L101-M138 HydrophobicContact CD2-CB 4.37Å; I135-M138 HydrophobicContact CG2-SD 4.32Å; I135-M138 PolarHBondContact O-N 2.7Å | ||
| 139 | Q | 86.7 | Confident | 78.9 | Confident | 140 Ų | 140 | 86.3 Ų | 86.3 | 65% | 0.654 | 44% | 0.442 | S | S | * | . | trans | -116.3 | 138.9 | 175.1 | -61.4 | -163.7 | -73.6 | 0 | 0 | 109.7 | E64 L141 | E64-Q139 VanDerWaalsContact CD-N 3.35Å; E64-Q139 HydrophobicContact CG-CB 4.19Å; E64-Q139 PolarHBondContact OE1-N 2.75Å; Q139-L141 PolarHBondContact O-N 3.13Å | ||
| 140 | K | 84.6 | Confident | 78 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | trans | -57.5 | 122.2 | 177.2 | -170.1 | 172.8 | -168.9 | 170 | 0 | 110.1 | D102 S142 | D102-K140 IonicContact OD1-NZ 3.04Å; D102-K140 PolarHBondContact OD1-NZ 2.7Å; D102-K140 IonicContact OD2-NZ 3.43Å; D102-K140 PolarHBondContact OD2-NZ 2.82Å; K140-S142 PolarHBondContact O-N 2.94Å; K140-S142 VanDerWaalsContact O-N 3.15Å | ||
| 141 | L | 80.4 | Confident | 77 | Confident | 29 Ų | 29 | 91.7 Ų | 91.7 | 15% | 0.152 | 46% | 0.457 | C | S | . | . | trans | -73.7 | 106.9 | 171.5 | -63.6 | 176.9 | 0 | 0 | 0 | 106.6 | Y60 E64 L65 R68 Q139 T143 | Y60-L141 HydrophobicContact CD1-CB 4.46Å; E64-L141 HydrophobicContact CB-CD2 4.05Å; E64-L141 HydrophobicContact CG-CD2 3.79Å; L65-L141 HydrophobicContact CD2-CD1 3.76Å; L65-L141 HydrophobicContact CD2-CD2 4.36Å; R68-L141 HydrophobicContact CB-CD1 4.28Å; R68-L141 HydrophobicContact CG-CD1 4.24Å; Q139-L141 PolarHBondContact O-N 3.13Å; L141-T143 PolarHBondContact O-N 3.17Å | ||
| 142 | S | 69.9 | Low | 76 | Confident | 87 Ų | 87 | 97.4 Ų | 97.4 | 61% | 0.608 | 49% | 0.486 | S | S | * | . | trans | -60.5 | 110.2 | -179.7 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | V58 K140 | V58-S142 WeakPolarHBondContact CG1-O 3.11Å; K140-S142 PolarHBondContact O-N 2.94Å; K140-S142 VanDerWaalsContact O-N 3.15Å | ||
| 143 | T | 61 | Low | 74.7 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | trans | -79.5 | 132.1 | 163 | 52.6 | 0 | 0 | 0 | 0 | 107.6 | L141 Q145 | L141-T143 PolarHBondContact O-N 3.17Å; T143-Q145 PolarHBondContact O-N 2.94Å | ||
| 144 | P | 55.6 | Low | 73.3 | Confident | 80 Ų | 80 | 102.9 Ų | 102.9 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | trans | -69.2 | 99.7 | 175.7 | 25.8 | -25.2 | 0 | 0 | 0 | 107.8 | V58 K146 | V58-P144 HydrophobicContact CB-CG 4.22Å; V58-P144 HydrophobicContact CG2-CB 3.41Å; V58-P144 VanDerWaalsContact CG2-CB 3.41Å; V58-P144 HydrophobicContact CG2-CG 3.36Å; P144-K146 PolarHBondContact O-N 3.49Å; P144-K146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | Q | 52.5 | Low | 71.9 | Confident | 163 Ų | 163 | 104.5 Ų | 104.5 | 76% | 0.762 | 52% | 0.522 | S | S | * | . | trans | -66.5 | 111.1 | 167.8 | -66.1 | -155.9 | -20 | 0 | 0 | 107.8 | T143 K147 | T143-Q145 PolarHBondContact O-N 2.94Å; Q145-K147 PolarHBondContact O-N 3.41Å | ||
| 146 | K | 45.8 | Very low | 70.2 | Confident | 207 Ų | 207 | 113.3 Ų | 113.3 | 90% | 0.9 | 57% | 0.566 | S | S | * | * | trans | -61.4 | 106.7 | 164.7 | -90.7 | -171.9 | 169.1 | 179.1 | 0 | 107.1 | P144 | P144-K146 PolarHBondContact O-N 3.49Å; P144-K146 VanDerWaalsContact O-N 3.08Å | ||
| 147 | K | 42.8 | Very low | 68.5 | Low | 273 Ų | 273 | 110.8 Ų | 110.8 | 100% | 1.187 | 57% | 0.569 | S | S | * | * | trans | -78.4 | 0 | 160.2 | -74.4 | -170.9 | 173.2 | -174.3 | 0 | 110 | Q145 | Q145-K147 PolarHBondContact O-N 3.41Š|
Retrieved 147 of 147 residues in 1166.6 ms
(Link to these results)