| 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 | 40.8 | Very low | 33.6 | Very low | 247 Ų | 247 | 159.3 Ų | 159.3 | 100% | 1.217 | 83% | 0.829 | S | S | * | * | 0 | 85.6 | 0 | -153.6 | 163.6 | -165.7 | 0 | 0 | 104 | |||||
| 2 | E | 38.5 | Very low | 32.9 | Very low | 195 Ų | 195 | 157.3 Ų | 157.3 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -111.6 | 124.2 | -173.5 | -68.3 | -179 | 121.1 | 0 | 0 | 107.2 | ||||
| 3 | E | 34.5 | Very low | 32.3 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | trans | -77.5 | 119.1 | -173.9 | -173 | -179.4 | 111.6 | 0 | 0 | 109.4 | T5 | E3-T5 HydrophobicContact CG-CG2 4.48Å; E3-T5 PolarHBondContact O-N 3.41Å | ||
| 4 | M | 35.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 84% | 0.837 | 82% | 0.818 | S | S | * | * | trans | -87.7 | 97.9 | 174.7 | -173.5 | 177.1 | -157.2 | 0 | 0 | 108.5 | V6 | M4-V6 HydrophobicContact CG-CG2 4.47Å; M4-V6 PolarHBondContact O-N 3.43Å | ||
| 5 | T | 29.5 | Very low | 32.4 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 66% | 0.663 | 82% | 0.815 | S | S | * | * | trans | -85.5 | 105.2 | 170.5 | 32.8 | 0 | 0 | 0 | 0 | 109.6 | E3 | E3-T5 HydrophobicContact CG-CG2 4.48Å; E3-T5 PolarHBondContact O-N 3.41Å | ||
| 6 | V | 34.7 | Very low | 32.5 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 71% | 0.709 | 81% | 0.814 | S | S | * | * | trans | -77.8 | 125.7 | 168.5 | 172.9 | 0 | 0 | 0 | 0 | 107.7 | M4 | M4-V6 HydrophobicContact CG-CG2 4.47Å; M4-V6 PolarHBondContact O-N 3.43Å | ||
| 7 | T | 30.3 | Very low | 32.5 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -124.5 | 120 | 171.5 | -38.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | D | 29.2 | Very low | 32.3 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -41.8 | 136.9 | 178.8 | -104.3 | -109.8 | 0 | 0 | 0 | 116.3 | ||||
| 9 | Q | 34 | Very low | 32.3 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 131.6 | 163.5 | -75 | -83.9 | -16.8 | 0 | 0 | 108.8 | E11 | Q9-E11 PolarHBondContact O-N 3.31Š|
| 10 | P | 32.6 | Very low | 32.1 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 120.8 | 175.1 | 28.7 | -29.4 | 0 | 0 | 0 | 110.7 | ||
| 11 | E | 30.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 138.6 | 168.7 | -78 | 172.8 | 65.7 | 0 | 0 | 113 | Q9 S13 | Q9-E11 PolarHBondContact O-N 3.31Å; E11-S13 PolarHBondContact O-N 3.01Å |
| 12 | C | 25.2 | Very low | 31.2 | Very low | 135 Ų | 135 | 139 Ų | 139 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 93.4 | 169.4 | -164 | 0 | 0 | 0 | 0 | 108.8 | V14 | C12-V14 PolarHBondContact O-N 3.34Š| ||
| 13 | S | 24.7 | Very low | 30.4 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -70.6 | 113.4 | 179.9 | -171 | 0 | 0 | 0 | 0 | 111 | E11 K15 | E11-S13 PolarHBondContact O-N 3.01Å; S13-K15 PolarHBondContact O-N 3.43Å | ||
| 14 | V | 36.7 | Very low | 29.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -58.5 | 111 | 167.6 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | C12 | C12-V14 PolarHBondContact O-N 3.34Š| ||
| 15 | K | 29.9 | Very low | 29.6 | Very low | 177 Ų | 177 | 137 Ų | 137 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -107.8 | 111.9 | 168.3 | -71.9 | -176 | -179.9 | 178.1 | 0 | 109.5 | S13 V17 | S13-K15 PolarHBondContact O-N 3.43Å; K15-V17 PolarHBondContact O-N 3.27Å | ||
| 16 | N | 33.8 | Very low | 29.4 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -56.6 | 123.2 | 161.8 | -63.4 | -23.1 | 0 | 0 | 0 | 108.9 | ||||
| 17 | V | 32.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -135.9 | 107 | 162.5 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | K15 | K15-V17 PolarHBondContact O-N 3.27Š| ||
| 18 | S | 29.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -73.9 | 140.8 | 168.4 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 19 | A | 32 | Very low | 28.8 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 50.7 | 116.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 20 | S | 27.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -169.9 | 94.7 | 144.2 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 21 | M | 24.9 | Very low | 27.9 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | 55.4 | 108.5 | 90.8 | -160 | 153.1 | 142.5 | 0 | 0 | 113.3 | |||||
| 22 | C | 28.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -79.7 | 137.8 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 23 | Q | 23.2 | Very low | 27.8 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 144.8 | 162.1 | -73.2 | -174.8 | -14 | 0 | 0 | 110.8 | ||||
| 24 | D | 23.7 | Very low | 27.9 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -77.7 | 164.9 | -162.9 | -71.6 | -66.8 | 0 | 0 | 0 | 116.7 | ||||
| 25 | E | 29.3 | Very low | 27.6 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 25.2 | 132.1 | 148 | -60.7 | -166.8 | 107.3 | 0 | 0 | 121.5 | ||||
| 26 | E | 25.4 | Very low | 27.4 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -152.8 | 146.6 | 130.2 | -74.6 | -153 | 111.3 | 0 | 0 | 111.5 | ||||
| 27 | V | 32 | Very low | 27.2 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -118 | 130.9 | 177.8 | 87.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 28 | E | 26 | Very low | 26.8 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -155.1 | 134.8 | 168.2 | -108 | -168.6 | 121.3 | 0 | 0 | 106.7 | ||||
| 29 | G | 23.6 | Very low | 26.8 | Very low | 64 Ų | 64 | 148.8 Ų | 148.8 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | 102.9 | 101.5 | 52.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 30 | F | 22.1 | Very low | 26.7 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | 66.5 | 127.2 | 108.8 | -157 | -108.5 | 0 | 0 | 0 | 113.1 | |||||
| 31 | D | 25.8 | Very low | 26.9 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 65% | 0.652 | 81% | 0.805 | S | S | * | * | cis | -167.1 | 162.6 | 23.9 | -138.7 | 2.4 | 0 | 0 | 0 | 108.6 | ||||
| 32 | T | 24.9 | Very low | 27.2 | Very low | 127 Ų | 127 | 152 Ų | 152 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -119.8 | 125.4 | 175.1 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 33 | Q | 28 | Very low | 27.7 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -129.5 | 125.5 | 165.9 | -170.9 | 168.5 | -49.3 | 0 | 0 | 109.8 | ||||
| 34 | T | 27.3 | Very low | 28.2 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -112.1 | 135.5 | 178.7 | -56 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 35 | D | 29.1 | Very low | 29 | Very low | 144 Ų | 144 | 150 Ų | 150 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -115.5 | 158.2 | 177.7 | -169.5 | -109.8 | 0 | 0 | 0 | 111.4 | ||||
| 36 | D | 26.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -84.1 | 155.9 | -153.4 | -74.2 | -68.9 | 0 | 0 | 0 | 118.4 | ||||
| 37 | G | 28.4 | Very low | 30 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | 63.8 | 129.2 | 129.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 38 | Q | 25.3 | Very low | 30.4 | Very low | 204 Ų | 204 | 143.4 Ų | 143.4 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | 173.8 | 141.1 | 112.2 | -167.1 | 144.6 | -94.6 | 0 | 0 | 113.3 | |||||
| 39 | R | 29.6 | Very low | 31.2 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -95.6 | 143.2 | 178.3 | 166.7 | -173.7 | 172.2 | -145.5 | 1.6 | 110.8 | ||||
| 40 | S | 28.2 | Very low | 32.2 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -162.1 | 138.5 | 146.8 | -99.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 41 | N | 32.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | -89.7 | 137.3 | -175.5 | -31.9 | -79.1 | 0 | 0 | 0 | 110.5 | ||||
| 42 | E | 32.1 | Very low | 35 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -150.1 | 130.4 | 149.4 | -65.6 | -159.4 | 127.2 | 0 | 0 | 109.2 | ||||
| 43 | V | 38.7 | Very low | 36.1 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -111.5 | 129.8 | 166.9 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 44 | P | 33.6 | Very low | 37.5 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -133.5 | 145.7 | 132.6 | 23.3 | -4.5 | 0 | 0 | 0 | 112.8 | S46 | P44-S46 PolarHBondContact O-N 2.91Š| ||
| 45 | V | 41.7 | Very low | 38.6 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -43.5 | 126.1 | -178.8 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 46 | S | 36.9 | Very low | 39.5 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -128.6 | 128.2 | 162 | -171 | 0 | 0 | 0 | 0 | 108.5 | P44 S48 | P44-S46 PolarHBondContact O-N 2.91Å; S46-S48 PolarHBondContact O-N 2.87Å | ||
| 47 | M | 38.5 | Very low | 40.7 | Very low | 172 Ų | 172 | 134 Ų | 134 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -48.4 | 134.3 | -177.6 | -68.3 | 175.4 | 175.1 | 0 | 0 | 110.9 | P49 | M47-P49 WeakPolarHBondContact O-CD 3.5Š| ||
| 48 | S | 39.8 | Very low | 42 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -64.5 | 118.7 | 166.6 | 46.1 | 0 | 0 | 0 | 0 | 108.6 | S46 V50 | S46-S48 PolarHBondContact O-N 2.87Å; S48-V50 VanDerWaalsContact C-N 3.31Å; S48-V50 PolarHBondContact O-N 3.2Å | ||
| 49 | P | 42.5 | Very low | 43.2 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 99.2 | 159.7 | 31.9 | -31 | 0 | 0 | 0 | 105.9 | M47 V51 | M47-P49 WeakPolarHBondContact O-CD 3.5Å; P49-V51 HydrophobicContact CB-CG2 4.09Å; P49-V51 PolarHBondContact O-N 3.1Å | ||
| 50 | V | 44.6 | Very low | 44.6 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -65.8 | 92 | 162 | 172.7 | 0 | 0 | 0 | 0 | 106.1 | S48 T52 | S48-V50 VanDerWaalsContact C-N 3.31Å; S48-V50 PolarHBondContact O-N 3.2Å; V50-T52 WeakPolarHBondContact CG1-OG1 3.16Å | ||
| 51 | V | 50.7 | Low | 45.9 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 58% | 0.576 | 75% | 0.748 | S | S | * | * | trans | -98.3 | 77.5 | 167.6 | -178.3 | 0 | 0 | 0 | 0 | 105.8 | P49 Q53 | P49-V51 HydrophobicContact CB-CG2 4.09Å; P49-V51 PolarHBondContact O-N 3.1Å; V51-Q53 HydrophobicContact CG1-CB 4.09Å; V51-Q53 HydrophobicContact CG1-CG 3.55Å; V51-Q53 VanDerWaalsContact CG1-NE2 3.34Å; V51-Q53 PolarHBondContact O-N 2.86Å; V51-Q53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | T | 55.9 | Low | 47.1 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -75.8 | 88.7 | 156 | -39.3 | 0 | 0 | 0 | 0 | 105.9 | V50 | V50-T52 WeakPolarHBondContact CG1-OG1 3.16Š| ||
| 53 | Q | 47.3 | Very low | 48.5 | Very low | 160 Ų | 160 | 119.5 Ų | 119.5 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -94.7 | 114.5 | 164 | -83.1 | -172.4 | 61.2 | 0 | 0 | 108.2 | V51 | V51-Q53 HydrophobicContact CG1-CB 4.09Å; V51-Q53 HydrophobicContact CG1-CG 3.55Å; V51-Q53 VanDerWaalsContact CG1-NE2 3.34Å; V51-Q53 PolarHBondContact O-N 2.86Å; V51-Q53 VanDerWaalsContact O-N 3.1Å | ||
| 54 | P | 57.9 | Low | 49.4 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | trans | -73.1 | 131.2 | 158.7 | 15.1 | -1.9 | 0 | 0 | 0 | 108.1 | ||||
| 55 | G | 50.3 | Low | 50.6 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | 98.3 | 72.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 56 | R | 49.6 | Very low | 51.6 | Low | 237 Ų | 237 | 112.8 Ų | 112.8 | 89% | 0.894 | 68% | 0.682 | S | S | * | * | trans | -141.5 | 83.3 | 133.8 | -166.4 | 162.4 | 163.4 | -164.7 | -5.6 | 106.7 | I58 | R56-I58 PolarHBondContact O-N 3Š| ||
| 57 | G | 51.3 | Low | 53 | Low | 74 Ų | 74 | 109.5 Ų | 109.5 | 76% | 0.763 | 66% | 0.657 | S | S | * | * | trans | -50.7 | 107.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | A59 | G57-A59 PolarHBondContact O-N 3.32Š| ||
| 58 | I | 54.8 | Low | 54.2 | Low | 148 Ų | 148 | 108.4 Ų | 108.4 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | trans | -63.4 | 102.4 | 162.4 | -70.1 | 168.4 | 0 | 0 | 0 | 102.9 | R56 T60 | R56-I58 PolarHBondContact O-N 3Å; I58-T60 PolarHBondContact O-N 2.93Å | ||
| 59 | A | 51.4 | Low | 55.7 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -66.6 | 85.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | G57 T61 | G57-A59 PolarHBondContact O-N 3.32Å; A59-T61 PolarHBondContact O-N 3.48Å; A59-T61 PolarHBondContact O-OG1 3.37Å | ||
| 60 | T | 58 | Low | 57.4 | Low | 103 Ų | 103 | 105.2 Ų | 105.2 | 63% | 0.632 | 62% | 0.622 | S | S | * | * | trans | -65 | 95 | 169.6 | -55.9 | 0 | 0 | 0 | 0 | 106.1 | I58 T62 | I58-T60 PolarHBondContact O-N 2.93Å; T60-T62 VanDerWaalsContact C-N 3.28Å; T60-T62 PolarHBondContact O-N 2.88Å | ||
| 61 | T | 55.4 | Low | 59.5 | Low | 89 Ų | 89 | 101.2 Ų | 101.2 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | trans | -74.7 | 88.8 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 106.6 | A59 I63 | A59-T61 PolarHBondContact O-N 3.48Å; A59-T61 PolarHBondContact O-OG1 3.37Å; T61-I63 VanDerWaalsContact C-N 3.29Å; T61-I63 HydrophobicContact CG2-CG1 4.1Å; T61-I63 PolarHBondContact O-N 2.85Å | ||
| 62 | T | 59.2 | Low | 61.5 | Low | 87 Ų | 87 | 100.9 Ų | 100.9 | 53% | 0.534 | 60% | 0.599 | S | S | . | * | trans | -73.8 | 89.6 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | T60 T64 | T60-T62 VanDerWaalsContact C-N 3.28Å; T60-T62 PolarHBondContact O-N 2.88Å; T62-T64 PolarHBondContact O-N 2.81Å; T62-T64 PolarHBondContact O-OG1 3.48Å | ||
| 63 | I | 61.6 | Low | 63.1 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 52% | 0.523 | 57% | 0.569 | S | S | . | * | trans | -60 | 102.9 | 171.9 | -68.3 | 179.3 | 0 | 0 | 0 | 108.5 | T61 T65 Q167 | T61-I63 VanDerWaalsContact C-N 3.29Å; T61-I63 HydrophobicContact CG2-CG1 4.1Å; T61-I63 PolarHBondContact O-N 2.85Å; I63-T65 HydrophobicContact CG2-CG2 4.04Å; I63-Q167 VanDerWaalsContact CG2-NE2 3.34Å | ||
| 64 | T | 56.7 | Low | 65.1 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | trans | -106.8 | 97 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | T62 V66 | T62-T64 PolarHBondContact O-N 2.81Å; T62-T64 PolarHBondContact O-OG1 3.48Å; T64-V66 HydrophobicContact CG2-CG2 4.21Å; T64-V66 PolarHBondContact O-N 3.43Å | ||
| 65 | T | 58.1 | Low | 66.6 | Low | 75 Ų | 75 | 85.3 Ų | 85.3 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | trans | -80 | 100 | 176.5 | 53 | 0 | 0 | 0 | 0 | 110.2 | I63 T67 | I63-T65 HydrophobicContact CG2-CG2 4.04Å; T65-T67 PolarHBondContact O-N 3.47Å | ||
| 66 | V | 63.3 | Low | 68.4 | Low | 104 Ų | 104 | 84 Ų | 84 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | trans | -87.1 | 90.1 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | T64 | T64-V66 HydrophobicContact CG2-CG2 4.21Å; T64-V66 PolarHBondContact O-N 3.43Å | ||
| 67 | T | 65.4 | Low | 70.1 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | trans | -92.8 | 114.9 | 170.9 | 137.4 | 0 | 0 | 0 | 0 | 108.4 | T65 M69 Q164 | T65-T67 PolarHBondContact O-N 3.47Å; T67-M69 PolarHBondContact O-N 3.5Å; T67-M69 WeakPolarHBondContact OG1-CG 3.4Å; T67-Q164 HydrophobicContact CG2-CG 4.45Å | ||
| 68 | Q | 64.8 | Low | 71.7 | Confident | 149 Ų | 149 | 77.7 Ų | 77.7 | 70% | 0.696 | 46% | 0.457 | S | S | * | . | trans | -62 | 102.1 | 167.5 | -71.4 | -94.1 | 95.1 | 0 | 0 | 107 | R160 | Q68-R160 PolarHBondContact O-NH1 3.44Š| ||
| 69 | M | 71.5 | Confident | 72.9 | Confident | 118 Ų | 118 | 73.8 Ų | 73.8 | 58% | 0.581 | 44% | 0.437 | S | S | * | . | trans | -99.3 | 130.3 | 171.1 | -65.1 | -168.6 | 58.2 | 0 | 0 | 108 | T67 R128 | T67-M69 PolarHBondContact O-N 3.5Å; T67-M69 WeakPolarHBondContact OG1-CG 3.4Å; M69-R128 WeakPolarHBondContact CE-O 3.26Å | ||
| 70 | G | 78.8 | Confident | 73.7 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 24% | 0.237 | 42% | 0.424 | C | S | . | . | trans | 99.3 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y129 K130 | G70-Y129 WeakPolarHBondContact CA-O 3.48Å; G70-Y129 PolarHBondContact N-O 3.13Å; G70-K130 VanDerWaalsContact CA-O 3.29Å; G70-K130 WeakPolarHBondContact CA-O 3.21Å | ||
| 71 | G | 88.6 | Confident | 73.9 | Confident | 32 Ų | 32 | 72.7 Ų | 72.7 | 33% | 0.33 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | 105.4 | -156.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | I131 R132 | G71-I131 CarbonylContact O-C 3.59Å; G71-I131 VanDerWaalsContact O-CA 3.24Å; G71-I131 WeakPolarHBondContact O-CA 3.15Å; G71-R132 PolarHBondContact O-N 3.34Å |
| 72 | D | 91.3 | Very high | 74.5 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -91.4 | 172.2 | 175.4 | -58.4 | -34.3 | 0 | 0 | 0 | 111.2 | S74 R132 | D72-S74 PolarHBondContact O-N 2.85Å; D72-R132 IonicContact OD1-CZ 3.62Å; D72-R132 VanDerWaalsContact OD1-CZ 3.24Å; D72-R132 IonicContact OD1-NE 3.82Å; D72-R132 PolarHBondContact OD1-NE 3.27Å; D72-R132 IonicContact OD1-NH2 3.45Å; D72-R132 PolarHBondContact OD1-NH2 3.28Å; D72-R132 IonicContact OD2-CZ 2.65Å; D72-R132 IonicContact OD2-NH2 2.74Å; D72-R132 PolarHBondContact OD2-NH2 2.85Å |
| 73 | W | 90.2 | Very high | 75.3 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | trans | -50.7 | 133.5 | 165.4 | -69.8 | 97.9 | 0 | 0 | 0 | 109.5 | T75 R122 I125 I131 Q152 M153 E156 | W73-T75 WeakPolarHBondContact CB-O 3.33Å; W73-T75 PolarHBondContact O-N 3.35Å; W73-R122 HydrophobicContact CH2-CG 3.97Å; W73-R122 HydrophobicContact CZ2-CG 3.88Å; W73-I125 HydrophobicContact CH2-CG2 3.85Å; W73-I125 HydrophobicContact CZ3-CG2 3.93Å; W73-I131 HydrophobicContact CD2-CD1 4.19Å; W73-I131 HydrophobicContact CD2-CG2 4.23Å; W73-I131 HydrophobicContact CE3-CD1 3.96Å; W73-I131 HydrophobicContact CG-CG2 4.09Å; W73-I131 HydrophobicContact CH2-CD1 4.32Å; W73-I131 HydrophobicContact CZ3-CD1 4.03Å; W73-Q152 HydrophobicContact CD2-CG 4.35Å; W73-Q152 HydrophobicContact CE3-CG 4Å; W73-Q152 VanDerWaalsContact CG-NE2 3.3Å; W73-M153 HydrophobicContact CH2-CG 4.01Å; W73-M153 HydrophobicContact CZ3-CG 4.24Å; W73-E156 HydrophobicContact CE3-CB 4.08Å; W73-E156 HydrophobicContact CE3-CG 3.98Å; W73-E156 HydrophobicContact CZ3-CB 3.93Å; W73-E156 HydrophobicContact CZ3-CG 3.95Å | ||
| 74 | S | 88.5 | Confident | 76.2 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 22% | 0.217 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -67.2 | -12.3 | -174.3 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | D72 E156 R159 | D72-S74 PolarHBondContact O-N 2.85Å; S74-E156 WeakPolarHBondContact CA-OE2 3.45Å; S74-E156 WeakPolarHBondContact CB-OE2 3.37Å; S74-E156 PolarHBondContact N-OE2 2.93Å; S74-E156 PolarHBondContact OG-OE2 3.4Å; S74-R159 PolarHBondContact O-NH1 3.37Å; S74-R159 PolarHBondContact OG-NE 3.02Å; S74-R159 PolarHBondContact OG-NH1 3.45Å; S74-R159 PolarHBondContact OG-NH2 3.26Å |
| 75 | T | 89.2 | Confident | 77.4 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.117 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -152 | 154.7 | 171.2 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | W73 Q152 R155 | W73-T75 WeakPolarHBondContact CB-O 3.33Å; W73-T75 PolarHBondContact O-N 3.35Å; T75-Q152 PolarHBondContact O-NE2 2.83Å; T75-R155 PolarHBondContact OG1-NH1 2.82Å; T75-R155 PolarHBondContact OG1-NH2 3.43Å |
| 76 | G | 88.9 | Confident | 78.5 | Confident | 47 Ų | 47 | 67.3 Ų | 67.3 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | -68.6 | 161.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F78 N79 | G76-F78 PolarHBondContact O-N 3.21Å; G76-N79 WeakPolarHBondContact O-CB 3.49Å; G76-N79 PolarHBondContact O-N 2.98Å | ||
| 77 | L | 86 | Confident | 79.4 | Confident | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -43.2 | -178.1 | -170.4 | 67.2 | 0 | 0 | 0 | 112.9 | N79 A141 C145 L148 A149 Q152 | L77-N79 PolarHBondContact O-N 2.98Å; L77-A141 HydrophobicContact CD1-CB 4.12Å; L77-A141 HydrophobicContact CD2-CB 3.8Å; L77-C145 HydrophobicContact CD2-CB 3.97Å; L77-L148 HydrophobicContact CD1-CB 4.22Å; L77-L148 HydrophobicContact CG-CB 4.14Å; L77-A149 VanDerWaalsContact CD1-CA 3.42Å; L77-A149 HydrophobicContact CD1-CB 3.94Å; L77-Q152 HydrophobicContact CD1-CB 4.32Å |
| 78 | F | 83.3 | Confident | 80.2 | Confident | 146 Ų | 146 | 65.6 Ų | 65.6 | 64% | 0.64 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 16.1 | -177.5 | -61.8 | -79.1 | 0 | 0 | 0 | 114.2 | G76 V80 L148 | G76-F78 PolarHBondContact O-N 3.21Å; F78-V80 PolarHBondContact O-N 3.24Å; F78-L148 HydrophobicContact CD1-CD1 3.46Å; F78-L148 VanDerWaalsContact CD1-CD1 3.46Å; F78-L148 HydrophobicContact CE1-CD1 3.63Å; F78-L148 HydrophobicContact CG-CD1 4.44Å |
| 79 | N | 81.7 | Confident | 81.1 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | trans | -79.8 | 64.5 | 179.5 | -168.4 | -5.1 | 0 | 0 | 0 | 111.9 | G76 L77 C81 G82 R155 | G76-N79 WeakPolarHBondContact O-CB 3.49Å; G76-N79 PolarHBondContact O-N 2.98Å; L77-N79 PolarHBondContact O-N 2.98Å; N79-C81 PolarHBondContact O-N 3.5Å; N79-G82 PolarHBondContact O-N 3.36Å; N79-G82 PolarHBondContact OD1-N 2.84Å; N79-R155 PolarHBondContact ND2-NH2 3.3Å; N79-R155 VanDerWaalsContact ND2-NH2 3.2Å | ||
| 80 | V | 67.1 | Low | 81.6 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -62.2 | -32 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | F78 G82 C87 L148 | F78-V80 PolarHBondContact O-N 3.24Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.39Å; V80-C87 HydrophobicContact CG1-CB 4.06Å; V80-L148 HydrophobicContact CG2-CD2 3.9Å |
| 81 | C | 62.3 | Low | 81.7 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -72.9 | -16.1 | -178.6 | -71.4 | 0 | 0 | 0 | 0 | 114 | N79 | N79-C81 PolarHBondContact O-N 3.5Š|
| 82 | G | 68.9 | Low | 81.5 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -74.5 | -22.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N79 V80 | N79-G82 PolarHBondContact O-N 3.36Å; N79-G82 PolarHBondContact OD1-N 2.84Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.39Å |
| 83 | D | 75.7 | Confident | 81.2 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -157.3 | 73.8 | 173.8 | -155.4 | -41.6 | 0 | 0 | 0 | 109.6 | T85 T86 C87 R155 K158 | D83-T85 VanDerWaalsContact C-N 3.26Å; D83-T85 PolarHBondContact O-N 3.47Å; D83-T85 PolarHBondContact OD1-OG1 2.66Å; D83-T86 PolarHBondContact O-N 2.73Å; D83-T86 WeakPolarHBondContact OD1-CB 3.37Å; D83-T86 PolarHBondContact OD1-N 3.27Å; D83-T86 VanDerWaalsContact OD1-N 3.14Å; D83-T86 PolarHBondContact OD1-OG1 3.14Å; D83-T86 PolarHBondContact OD2-OG1 3.26Å; D83-C87 PolarHBondContact O-N 2.9Å; D83-R155 HydrophobicContact CB-CG 3.99Å; D83-K158 IonicContact OD2-NZ 3.7Å |
| 84 | K | 79.6 | Confident | 80.7 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | -174.3 | -61.7 | 178.3 | -174.4 | 177.8 | 0 | 111.7 | C87 I88 | K84-C87 PolarHBondContact O-N 2.93Å; K84-I88 WeakPolarHBondContact O-CB 3.41Å; K84-I88 WeakPolarHBondContact O-CD1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.2Å; K84-I88 PolarHBondContact O-N 3.44Å |
| 85 | T | 81.4 | Confident | 80.4 | Confident | 96 Ų | 96 | 67.1 Ų | 67.1 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.9 | -49.5 | 177.3 | 36.6 | 0 | 0 | 0 | 0 | 111.5 | D83 C87 I88 I89 | D83-T85 VanDerWaalsContact C-N 3.26Å; D83-T85 PolarHBondContact O-N 3.47Å; D83-T85 PolarHBondContact OD1-OG1 2.66Å; T85-C87 VanDerWaalsContact C-N 3.35Å; T85-C87 PolarHBondContact O-N 2.96Å; T85-I88 PolarHBondContact O-N 3.27Å; T85-I89 WeakPolarHBondContact O-CB 3.49Å; T85-I89 WeakPolarHBondContact O-CD1 3.29Å; T85-I89 WeakPolarHBondContact O-CG1 3.21Å; T85-I89 PolarHBondContact O-N 3.27Å |
| 86 | T | 81.6 | Confident | 80.2 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 15% | 0.153 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | D83 G90 L97 I154 | D83-T86 PolarHBondContact O-N 2.73Å; D83-T86 WeakPolarHBondContact OD1-CB 3.37Å; D83-T86 PolarHBondContact OD1-N 3.27Å; D83-T86 VanDerWaalsContact OD1-N 3.14Å; D83-T86 PolarHBondContact OD1-OG1 3.14Å; D83-T86 PolarHBondContact OD2-OG1 3.26Å; T86-G90 PolarHBondContact O-N 3.21Å; T86-L97 HydrophobicContact CG2-CD1 3.44Å; T86-L97 VanDerWaalsContact CG2-CD1 3.44Å; T86-I154 HydrophobicContact CG2-CD1 4.22Å; T86-I154 HydrophobicContact CG2-CG2 4.36Å |
| 87 | C | 81.9 | Confident | 80 | Confident | 15 Ų | 15 | 70.8 Ų | 70.8 | 10% | 0.101 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 174.4 | -106.1 | 0 | 0 | 0 | 0 | 113.1 | V80 D83 K84 T85 G90 A91 | V80-C87 HydrophobicContact CG1-CB 4.06Å; D83-C87 PolarHBondContact O-N 2.9Å; K84-C87 PolarHBondContact O-N 2.93Å; T85-C87 VanDerWaalsContact C-N 3.35Å; T85-C87 PolarHBondContact O-N 2.96Å; C87-G90 PolarHBondContact O-N 2.99Å; C87-A91 WeakPolarHBondContact O-CB 3.38Å; C87-A91 PolarHBondContact O-N 3.43Å |
| 88 | I | 83.1 | Confident | 80.1 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 178.2 | -68.7 | 163.9 | 0 | 0 | 0 | 110 | K84 T85 G90 A91 L92 | K84-I88 WeakPolarHBondContact O-CB 3.41Å; K84-I88 WeakPolarHBondContact O-CD1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.2Å; K84-I88 PolarHBondContact O-N 3.44Å; T85-I88 PolarHBondContact O-N 3.27Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-G90 PolarHBondContact O-N 3.12Å; I88-A91 PolarHBondContact O-N 3.38Å; I88-L92 HydrophobicContact CG2-CD1 3.81Å; I88-L92 HydrophobicContact CG2-CG 4.42Å; I88-L92 WeakPolarHBondContact O-CB 3.46Å; I88-L92 WeakPolarHBondContact O-CG 3.34Å; I88-L92 PolarHBondContact O-N 2.95Å |
| 89 | I | 83.5 | Confident | 80.2 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 36% | 0.359 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.7 | -67.7 | 166.6 | 0 | 0 | 0 | 110.6 | T85 A91 L92 V93 Y96 | T85-I89 WeakPolarHBondContact O-CB 3.49Å; T85-I89 WeakPolarHBondContact O-CD1 3.29Å; T85-I89 WeakPolarHBondContact O-CG1 3.21Å; T85-I89 PolarHBondContact O-N 3.27Å; I89-A91 VanDerWaalsContact C-N 3.29Å; I89-A91 PolarHBondContact O-N 3.42Å; I89-L92 PolarHBondContact O-N 3.36Å; I89-V93 CarbonylContact O-C 3.37Å; I89-V93 WeakPolarHBondContact O-CA 3.28Å; I89-V93 PolarHBondContact O-N 3.29Å; I89-Y96 HydrophobicContact CG2-CD1 3.51Å; I89-Y96 HydrophobicContact CG2-CE1 3.94Å |
| 90 | G | 81.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T86 C87 I88 P94 | T86-G90 PolarHBondContact O-N 3.21Å; C87-G90 PolarHBondContact O-N 2.99Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-G90 PolarHBondContact O-N 3.12Å; G90-P94 WeakPolarHBondContact O-CA 3.44Å |
| 91 | A | 80.9 | Confident | 81.5 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.6 | -35.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C87 I88 I89 | C87-A91 WeakPolarHBondContact O-CB 3.38Å; C87-A91 PolarHBondContact O-N 3.43Å; I88-A91 PolarHBondContact O-N 3.38Å; I89-A91 VanDerWaalsContact C-N 3.29Å; I89-A91 PolarHBondContact O-N 3.42Å |
| 92 | L | 84.3 | Confident | 82.7 | Confident | 135 Ų | 135 | 56.6 Ų | 56.6 | 71% | 0.707 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -87.8 | -34 | -178.7 | -65.4 | 176.1 | 0 | 0 | 0 | 113 | I88 I89 | I88-L92 HydrophobicContact CG2-CD1 3.81Å; I88-L92 HydrophobicContact CG2-CG 4.42Å; I88-L92 WeakPolarHBondContact O-CB 3.46Å; I88-L92 WeakPolarHBondContact O-CG 3.34Å; I88-L92 PolarHBondContact O-N 2.95Å; I89-L92 PolarHBondContact O-N 3.36Å |
| 93 | V | 86.1 | Confident | 83.5 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | trans | -142.7 | 74.4 | -173.4 | -165.5 | 0 | 0 | 0 | 0 | 110 | I89 C95 Y96 L97 | I89-V93 CarbonylContact O-C 3.37Å; I89-V93 WeakPolarHBondContact O-CA 3.28Å; I89-V93 PolarHBondContact O-N 3.29Å; V93-C95 VanDerWaalsContact C-N 3.31Å; V93-C95 PolarHBondContact O-N 3.26Å; V93-Y96 PolarHBondContact O-N 2.95Å; V93-L97 PolarHBondContact O-N 2.83Å | ||
| 94 | P | 79 | Confident | 83.9 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -39 | -177.3 | 21.2 | -32.1 | 0 | 0 | 0 | 112.8 | G90 Y96 L97 D98 Y146 | G90-P94 WeakPolarHBondContact O-CA 3.44Å; P94-Y96 VanDerWaalsContact C-N 3.29Å; P94-Y96 PolarHBondContact O-N 2.85Å; P94-L97 WeakPolarHBondContact O-CB 3.35Å; P94-L97 PolarHBondContact O-N 2.74Å; P94-D98 PolarHBondContact O-N 3.18Å; P94-D98 VanDerWaalsContact O-OD2 3.13Å; P94-Y146 HydrophobicContact CB-CE1 4.49Å |
| 95 | C | 82.4 | Confident | 84.2 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60 | -37.2 | -179.3 | -51.2 | 0 | 0 | 0 | 0 | 113.3 | V93 L97 L99 | V93-C95 VanDerWaalsContact C-N 3.31Å; V93-C95 PolarHBondContact O-N 3.26Å; C95-L97 VanDerWaalsContact C-N 3.31Å; C95-L99 WeakPolarHBondContact O-CB 3.41Å; C95-L99 PolarHBondContact O-N 3.3Å |
| 96 | Y | 84.6 | Confident | 84.2 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.8 | 172.5 | -95.5 | 0 | 0 | 0 | 110.8 | I89 V93 P94 L99 S100 | I89-Y96 HydrophobicContact CG2-CD1 3.51Å; I89-Y96 HydrophobicContact CG2-CE1 3.94Å; V93-Y96 PolarHBondContact O-N 2.95Å; P94-Y96 VanDerWaalsContact C-N 3.29Å; P94-Y96 PolarHBondContact O-N 2.85Å; Y96-L99 PolarHBondContact O-N 3.2Å; Y96-S100 WeakPolarHBondContact O-CB 3.43Å; Y96-S100 PolarHBondContact O-N 2.91Å |
| 97 | L | 85.9 | Confident | 84.1 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 179.6 | -167.6 | 71.8 | 0 | 0 | 0 | 111.5 | T86 V93 P94 C95 S100 L101 V150 I154 | T86-L97 HydrophobicContact CG2-CD1 3.44Å; T86-L97 VanDerWaalsContact CG2-CD1 3.44Å; V93-L97 PolarHBondContact O-N 2.83Å; P94-L97 WeakPolarHBondContact O-CB 3.35Å; P94-L97 PolarHBondContact O-N 2.74Å; C95-L97 VanDerWaalsContact C-N 3.31Å; L97-S100 WeakPolarHBondContact O-CB 3.37Å; L97-S100 PolarHBondContact O-N 3.42Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 PolarHBondContact O-N 3.26Å; L97-V150 HydrophobicContact CB-CG1 4.42Å; L97-V150 HydrophobicContact CD2-CB 3.87Å; L97-V150 HydrophobicContact CD2-CG1 3.44Å; L97-V150 VanDerWaalsContact CD2-CG1 3.44Å; L97-V150 HydrophobicContact CG-CG1 3.57Å; L97-I154 HydrophobicContact CD1-CD1 3.29Å; L97-I154 HydrophobicContact CD2-CD1 4.28Å; L97-I154 HydrophobicContact CG-CD1 3.57Å |
| 98 | D | 86.6 | Confident | 83.7 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176 | -69.6 | -50.6 | 0 | 0 | 0 | 112.6 | P94 S100 L101 A102 P112 T118 Y146 V150 | P94-D98 PolarHBondContact O-N 3.18Å; P94-D98 VanDerWaalsContact O-OD2 3.13Å; D98-S100 VanDerWaalsContact C-N 3.33Å; D98-L101 PolarHBondContact O-N 3.07Å; D98-A102 WeakPolarHBondContact O-CB 3.31Å; D98-A102 PolarHBondContact O-N 2.97Å; D98-P112 HydrophobicContact CB-CB 3.78Å; D98-P112 HydrophobicContact CB-CG 3.99Å; D98-T118 WeakPolarHBondContact OD1-CG2 3.31Å; D98-Y146 PolarHBondContact OD1-OH 3.28Å; D98-Y146 WeakPolarHBondContact OD2-CE1 3.29Å; D98-Y146 PolarHBondContact OD2-OH 3.32Å; D98-V150 WeakPolarHBondContact OD1-CG2 3.3Å |
| 99 | L | 86.4 | Confident | 83.1 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174.2 | -171.3 | 66.6 | 0 | 0 | 0 | 111.2 | C95 Y96 A102 Q103 L109 P112 | C95-L99 WeakPolarHBondContact O-CB 3.41Å; C95-L99 PolarHBondContact O-N 3.3Å; Y96-L99 PolarHBondContact O-N 3.2Å; L99-A102 PolarHBondContact O-N 3.4Å; L99-Q103 VanDerWaalsContact O-CB 3.31Å; L99-Q103 WeakPolarHBondContact O-CB 2.95Å; L99-Q103 PolarHBondContact O-N 2.56Å; L99-L109 HydrophobicContact CD1-CB 3.8Å; L99-L109 HydrophobicContact CD1-CD2 3.54Å; L99-L109 HydrophobicContact CD1-CG 4.17Å; L99-L109 HydrophobicContact CG-CD2 4.23Å; L99-P112 HydrophobicContact CB-CG 4.34Å; L99-P112 HydrophobicContact CD1-CG 4.25Å |
| 100 | S | 86.4 | Confident | 82.4 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.6 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | Y96 L97 D98 Q103 Q104 | Y96-S100 WeakPolarHBondContact O-CB 3.43Å; Y96-S100 PolarHBondContact O-N 2.91Å; L97-S100 WeakPolarHBondContact O-CB 3.37Å; L97-S100 PolarHBondContact O-N 3.42Å; D98-S100 VanDerWaalsContact C-N 3.33Å; S100-Q103 PolarHBondContact O-N 3.22Å; S100-Q104 VanDerWaalsContact O-CG 3.25Å; S100-Q104 WeakPolarHBondContact O-CG 3.29Å; S100-Q104 PolarHBondContact O-N 3.4Å |
| 101 | L | 89.2 | Confident | 82 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 176.5 | 173.7 | 64.1 | 0 | 0 | 0 | 111.9 | L97 D98 Q103 Q104 F105 I121 I125 V150 M153 I154 M157 | L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 PolarHBondContact O-N 3.26Å; D98-L101 PolarHBondContact O-N 3.07Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 2.95Å; L101-Q104 PolarHBondContact O-N 3.13Å; L101-F105 WeakPolarHBondContact O-CB 3.37Å; L101-F105 PolarHBondContact O-N 2.95Å; L101-I121 HydrophobicContact CD1-CG2 4.29Å; L101-I121 HydrophobicContact CD2-CG2 4.17Å; L101-I121 HydrophobicContact CG-CG2 4.16Å; L101-I125 HydrophobicContact CD1-CD1 4.27Å; L101-V150 HydrophobicContact CB-CG1 4.25Å; L101-V150 HydrophobicContact CD2-CG1 3.83Å; L101-M153 HydrophobicContact CD1-CB 3.87Å; L101-M153 HydrophobicContact CD1-CE 4.12Å; L101-M153 HydrophobicContact CD2-CB 4.45Å; L101-M153 HydrophobicContact CD2-CE 3.44Å; L101-M153 VanDerWaalsContact CD2-CE 3.44Å; L101-M153 HydrophobicContact CD2-SD 4.25Å; L101-M153 HydrophobicContact CG-CE 4.3Å; L101-I154 HydrophobicContact CB-CD1 4.15Å; L101-I154 HydrophobicContact CB-CG1 3.91Å; L101-I154 HydrophobicContact CD1-CG1 3.86Å; L101-I154 HydrophobicContact CG-CG1 4.43Å; L101-M157 HydrophobicContact CD1-SD 3.49Å; L101-M157 WeakPolarHBondContact CD1-SD 3.34Å |
| 102 | A | 87.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D98 L99 Q104 F105 G106 E107 M111 P112 | D98-A102 WeakPolarHBondContact O-CB 3.31Å; D98-A102 PolarHBondContact O-N 2.97Å; L99-A102 PolarHBondContact O-N 3.4Å; A102-Q104 PolarHBondContact O-N 2.89Å; A102-F105 PolarHBondContact O-N 3.18Å; A102-F105 VanDerWaalsContact O-N 3.09Å; A102-G106 PolarHBondContact O-N 3.22Å; A102-G106 VanDerWaalsContact O-N 3.11Å; A102-E107 PolarHBondContact O-N 3.48Å; A102-M111 HydrophobicContact CB-CB 4.25Å; A102-P112 HydrophobicContact CB-CG 4.4Å |
| 103 | Q | 85.3 | Confident | 80.8 | Confident | 122 Ų | 122 | 62.6 Ų | 62.6 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 176.1 | -171.9 | -175.9 | -76.3 | 0 | 0 | 111.8 | L99 S100 L101 F105 G106 L109 | L99-Q103 VanDerWaalsContact O-CB 3.31Å; L99-Q103 WeakPolarHBondContact O-CB 2.95Å; L99-Q103 PolarHBondContact O-N 2.56Å; S100-Q103 PolarHBondContact O-N 3.22Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 2.95Å; Q103-F105 VanDerWaalsContact C-N 3.26Å; Q103-F105 PolarHBondContact O-N 2.97Å; Q103-G106 PolarHBondContact O-N 3.36Å; Q103-L109 HydrophobicContact CB-CD2 4.22Å |
| 104 | Q | 84.7 | Confident | 80.5 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67 | -30.1 | 175.4 | -66 | -65.7 | -78.8 | 0 | 0 | 111.7 | S100 L101 A102 G106 M157 M161 | S100-Q104 VanDerWaalsContact O-CG 3.25Å; S100-Q104 WeakPolarHBondContact O-CG 3.29Å; S100-Q104 PolarHBondContact O-N 3.4Å; L101-Q104 PolarHBondContact O-N 3.13Å; A102-Q104 PolarHBondContact O-N 2.89Å; Q104-G106 VanDerWaalsContact C-N 3.26Å; Q104-G106 PolarHBondContact O-N 3.36Å; Q104-M157 HydrophobicContact CB-CE 3.52Å; Q104-M157 HydrophobicContact CB-SD 4.39Å; Q104-M157 WeakPolarHBondContact O-CE 3.42Å; Q104-M161 HydrophobicContact CB-CE 4.23Å; Q104-M161 WeakPolarHBondContact O-CE 3.49Å |
| 105 | F | 85.5 | Confident | 80.3 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 8% | 0.075 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -79.6 | -17.8 | -176.7 | -164.8 | -114.2 | 0 | 0 | 0 | 111.5 | L101 A102 Q103 E107 I121 I125 R128 M157 | L101-F105 WeakPolarHBondContact O-CB 3.37Å; L101-F105 PolarHBondContact O-N 2.95Å; A102-F105 PolarHBondContact O-N 3.18Å; A102-F105 VanDerWaalsContact O-N 3.09Å; Q103-F105 VanDerWaalsContact C-N 3.26Å; Q103-F105 PolarHBondContact O-N 2.97Å; F105-E107 HydrophobicContact CD1-CG 3.42Å; F105-E107 VanDerWaalsContact CD1-CG 3.42Å; F105-E107 HydrophobicContact CE1-CG 4.01Å; F105-E107 HydrophobicContact CG-CG 4.43Å; F105-I121 HydrophobicContact CB-CG2 4.27Å; F105-I121 HydrophobicContact CD1-CG1 4.33Å; F105-I121 HydrophobicContact CD1-CG2 4.06Å; F105-I121 HydrophobicContact CD2-CG2 4.13Å; F105-I121 HydrophobicContact CG-CG2 3.9Å; F105-I125 HydrophobicContact CD2-CD1 4.36Å; F105-I125 HydrophobicContact CD2-CG1 3.67Å; F105-I125 HydrophobicContact CE2-CB 4.45Å; F105-I125 HydrophobicContact CE2-CG1 3.5Å; F105-R128 PolarHBondContact O-NH1 3.12Å; F105-M157 HydrophobicContact CB-CE 3.7Å; F105-M157 HydrophobicContact CD2-CE 3.87Å; F105-M157 HydrophobicContact CD2-SD 4.39Å; F105-M157 HydrophobicContact CG-CE 4.28Å |
| 106 | G | 81.6 | Confident | 80.3 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 67% | 0.67 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 20.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A102 Q103 Q104 | A102-G106 PolarHBondContact O-N 3.22Å; A102-G106 VanDerWaalsContact O-N 3.11Å; Q103-G106 PolarHBondContact O-N 3.36Å; Q104-G106 VanDerWaalsContact C-N 3.26Å; Q104-G106 PolarHBondContact O-N 3.36Å |
| 107 | E | 79.3 | Confident | 80.5 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -100.1 | 168.7 | -178.8 | -61.4 | -67.3 | 163.4 | 0 | 0 | 111.8 | A102 F105 M111 R128 | A102-E107 PolarHBondContact O-N 3.48Å; F105-E107 HydrophobicContact CD1-CG 3.42Å; F105-E107 VanDerWaalsContact CD1-CG 3.42Å; F105-E107 HydrophobicContact CE1-CG 4.01Å; F105-E107 HydrophobicContact CG-CG 4.43Å; E107-M111 HydrophobicContact CB-CG 4.13Å; E107-R128 IonicContact OE1-NH2 2.72Å; E107-R128 PolarHBondContact OE1-NH2 3.24Å | ||
| 108 | C | 74.6 | Confident | 80.7 | Confident | 79 Ų | 79 | 59 Ų | 59 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | trans | -61.8 | 137.5 | 178.9 | -141.3 | 0 | 0 | 0 | 0 | 111.5 | C110 M111 | C108-C110 PolarHBondContact O-N 3.16Å; C108-M111 WeakPolarHBondContact O-CB 3.34Å; C108-M111 WeakPolarHBondContact O-CG 3.46Å; C108-M111 PolarHBondContact O-N 3.04Å | ||
| 109 | L | 70 | Confident | 80.9 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.9 | -177.4 | -63.5 | 175.7 | 0 | 0 | 0 | 114.2 | L99 Q103 M111 P112 | L99-L109 HydrophobicContact CD1-CB 3.8Å; L99-L109 HydrophobicContact CD1-CD2 3.54Å; L99-L109 HydrophobicContact CD1-CG 4.17Å; L99-L109 HydrophobicContact CG-CD2 4.23Å; Q103-L109 HydrophobicContact CB-CD2 4.22Å; L109-M111 VanDerWaalsContact C-N 3.31Å; L109-P112 VanDerWaalsContact O-CD 3.25Å; L109-P112 WeakPolarHBondContact O-CD 3.47Å |
| 110 | C | 67.9 | Low | 81.2 | Confident | 65 Ų | 65 | 61 Ų | 61 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.5 | 173.6 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | C108 P112 L113 L114 | C108-C110 PolarHBondContact O-N 3.16Å; C110-P112 VanDerWaalsContact C-CD 3.43Å; C110-L113 VanDerWaalsContact O-CB 3.24Å; C110-L113 WeakPolarHBondContact O-CB 3.25Å; C110-L113 PolarHBondContact O-N 2.95Å; C110-L114 WeakPolarHBondContact O-CD1 3.37Å |
| 111 | M | 73.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -54.2 | -41.7 | -178.4 | -81.7 | -64.9 | 157.1 | 0 | 0 | 115 | A102 E107 C108 L109 L113 L114 S117 | A102-M111 HydrophobicContact CB-CB 4.25Å; E107-M111 HydrophobicContact CB-CG 4.13Å; C108-M111 WeakPolarHBondContact O-CB 3.34Å; C108-M111 WeakPolarHBondContact O-CG 3.46Å; C108-M111 PolarHBondContact O-N 3.04Å; L109-M111 VanDerWaalsContact C-N 3.31Å; M111-L113 PolarHBondContact O-N 3.25Å; M111-L114 PolarHBondContact O-N 3.48Å; M111-S117 WeakPolarHBondContact O-CB 3.35Å; M111-S117 PolarHBondContact O-OG 3.44Å |
| 112 | P | 70.8 | Confident | 81.7 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 26% | 0.26 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -58.1 | -20.2 | 176.2 | -24.9 | 35.8 | 0 | 0 | 0 | 114.3 | D98 L99 A102 L109 C110 | D98-P112 HydrophobicContact CB-CB 3.78Å; D98-P112 HydrophobicContact CB-CG 3.99Å; L99-P112 HydrophobicContact CB-CG 4.34Å; L99-P112 HydrophobicContact CD1-CG 4.25Å; A102-P112 HydrophobicContact CB-CG 4.4Å; L109-P112 VanDerWaalsContact O-CD 3.25Å; L109-P112 WeakPolarHBondContact O-CD 3.47Å; C110-P112 VanDerWaalsContact C-CD 3.43Å |
| 113 | L | 69.4 | Low | 82 | Confident | 156 Ų | 156 | 61.8 Ų | 61.8 | 82% | 0.817 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -83.2 | -18.3 | -179.5 | -156.4 | 69.7 | 0 | 0 | 0 | 112.8 | C110 M111 | C110-L113 VanDerWaalsContact O-CB 3.24Å; C110-L113 WeakPolarHBondContact O-CB 3.25Å; C110-L113 PolarHBondContact O-N 2.95Å; M111-L113 PolarHBondContact O-N 3.25Å |
| 114 | L | 78.6 | Confident | 82.4 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -88.7 | 127.8 | -178.1 | -83.5 | 73.6 | 0 | 0 | 0 | 110.7 | C110 M111 G116 S117 | C110-L114 WeakPolarHBondContact O-CD1 3.37Å; M111-L114 PolarHBondContact O-N 3.48Å; L114-G116 PolarHBondContact O-N 3.05Å; L114-S117 WeakPolarHBondContact O-CB 3.18Å; L114-S117 PolarHBondContact O-N 3.21Å; L114-S117 PolarHBondContact O-OG 3.27Å |
| 115 | P | 76 | Confident | 82.7 | Confident | 136 Ų | 136 | 53.5 Ų | 53.5 | 88% | 0.883 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.5 | 174.2 | 25.8 | -32.5 | 0 | 0 | 0 | 110 | ||
| 116 | G | 82.9 | Confident | 83.1 | Confident | 44 Ų | 44 | 54 Ų | 54 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 0.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L114 T118 F119 A120 | L114-G116 PolarHBondContact O-N 3.05Å; G116-T118 VanDerWaalsContact C-N 3.32Å; G116-T118 PolarHBondContact O-N 3.26Å; G116-F119 PolarHBondContact O-N 3.01Å; G116-A120 PolarHBondContact O-N 3.26Å |
| 117 | S | 88.2 | Confident | 83.6 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 175.9 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | M111 L114 F119 A120 I121 | M111-S117 WeakPolarHBondContact O-CB 3.35Å; M111-S117 PolarHBondContact O-OG 3.44Å; L114-S117 WeakPolarHBondContact O-CB 3.18Å; L114-S117 PolarHBondContact O-N 3.21Å; L114-S117 PolarHBondContact O-OG 3.27Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.46Å; S117-A120 WeakPolarHBondContact O-CB 3.23Å; S117-A120 PolarHBondContact O-N 3.28Å; S117-A120 VanDerWaalsContact O-N 3.14Å; S117-I121 VanDerWaalsContact O-CG1 3.26Å; S117-I121 WeakPolarHBondContact O-CG1 3.46Å; S117-I121 PolarHBondContact O-N 2.89Å |
| 118 | T | 89.4 | Confident | 84.1 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 178 | 52.4 | 0 | 0 | 0 | 0 | 113 | D98 G116 I121 R122 Y146 V150 | D98-T118 WeakPolarHBondContact OD1-CG2 3.31Å; G116-T118 VanDerWaalsContact C-N 3.32Å; G116-T118 PolarHBondContact O-N 3.26Å; T118-I121 PolarHBondContact O-N 3.33Å; T118-R122 WeakPolarHBondContact O-CB 3.49Å; T118-R122 PolarHBondContact O-N 3.01Å; T118-Y146 HydrophobicContact CG2-CE2 3.68Å; T118-Y146 WeakPolarHBondContact CG2-OH 3.36Å; T118-Y146 WeakPolarHBondContact OG1-CE2 3.21Å; T118-V150 HydrophobicContact CG2-CG2 4.35Å |
| 119 | F | 92.3 | Very high | 84.8 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 25% | 0.254 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 172.2 | 165.1 | -101.5 | 0 | 0 | 0 | 111.1 | G116 S117 I121 R122 V123 V135 D138 W139 | G116-F119 PolarHBondContact O-N 3.01Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.46Å; F119-I121 VanDerWaalsContact C-N 3.34Å; F119-I121 PolarHBondContact O-N 3.29Å; F119-R122 WeakPolarHBondContact O-CB 3.03Å; F119-R122 PolarHBondContact O-N 2.93Å; F119-R122 VanDerWaalsContact O-N 3.13Å; F119-V123 HydrophobicContact CD2-CG2 4.28Å; F119-V123 HydrophobicContact CE1-CG2 4.28Å; F119-V123 HydrophobicContact CE2-CG2 3.85Å; F119-V123 HydrophobicContact CZ-CG2 3.88Å; F119-V123 WeakPolarHBondContact O-CG2 3.4Å; F119-V123 PolarHBondContact O-N 3.45Å; F119-V135 HydrophobicContact CE2-CG1 3.92Å; F119-V135 HydrophobicContact CZ-CG1 3.46Å; F119-V135 VanDerWaalsContact CZ-CG1 3.46Å; F119-D138 HydrophobicContact CD2-CB 4.11Å; F119-D138 HydrophobicContact CE2-CB 3.84Å; F119-W139 HydrophobicContact CD2-CB 4.16Å; F119-W139 HydrophobicContact CE2-CB 3.82Å |
| 120 | A | 92.1 | Very high | 85.8 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G116 S117 R122 V123 G124 | G116-A120 PolarHBondContact O-N 3.26Å; S117-A120 WeakPolarHBondContact O-CB 3.23Å; S117-A120 PolarHBondContact O-N 3.28Å; S117-A120 VanDerWaalsContact O-N 3.14Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.39Å; A120-V123 PolarHBondContact O-N 3.09Å; A120-G124 PolarHBondContact O-N 3.46Å |
| 121 | I | 92.4 | Very high | 86.9 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.3 | -64.1 | 165.6 | 0 | 0 | 0 | 110.1 | L101 F105 S117 T118 F119 V123 G124 I125 M153 | L101-I121 HydrophobicContact CD1-CG2 4.29Å; L101-I121 HydrophobicContact CD2-CG2 4.17Å; L101-I121 HydrophobicContact CG-CG2 4.16Å; F105-I121 HydrophobicContact CB-CG2 4.27Å; F105-I121 HydrophobicContact CD1-CG1 4.33Å; F105-I121 HydrophobicContact CD1-CG2 4.06Å; F105-I121 HydrophobicContact CD2-CG2 4.13Å; F105-I121 HydrophobicContact CG-CG2 3.9Å; S117-I121 VanDerWaalsContact O-CG1 3.26Å; S117-I121 WeakPolarHBondContact O-CG1 3.46Å; S117-I121 PolarHBondContact O-N 2.89Å; T118-I121 PolarHBondContact O-N 3.33Å; F119-I121 VanDerWaalsContact C-N 3.34Å; F119-I121 PolarHBondContact O-N 3.29Å; I121-V123 PolarHBondContact O-N 2.95Å; I121-G124 CarbonylContact O-C 3.46Å; I121-G124 PolarHBondContact O-N 3.22Å; I121-I125 HydrophobicContact CG2-CD1 3.91Å; I121-I125 HydrophobicContact CG2-CG1 4.23Å; I121-I125 WeakPolarHBondContact O-CB 3.39Å; I121-I125 VanDerWaalsContact O-CG1 3.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 2.85Å; I121-M153 HydrophobicContact CB-CE 3.8Å; I121-M153 HydrophobicContact CG2-CE 3.42Å; I121-M153 VanDerWaalsContact CG2-CE 3.42Å |
| 122 | R | 94 | Very high | 87.8 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.5 | -163.8 | 170.6 | -173 | -126.1 | -7.1 | 112.1 | W73 T118 F119 A120 G124 I125 R126 E137 D138 M153 | W73-R122 HydrophobicContact CH2-CG 3.97Å; W73-R122 HydrophobicContact CZ2-CG 3.88Å; T118-R122 WeakPolarHBondContact O-CB 3.49Å; T118-R122 PolarHBondContact O-N 3.01Å; F119-R122 WeakPolarHBondContact O-CB 3.03Å; F119-R122 PolarHBondContact O-N 2.93Å; F119-R122 VanDerWaalsContact O-N 3.13Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.39Å; R122-G124 VanDerWaalsContact C-N 3.33Å; R122-I125 PolarHBondContact O-N 3.07Å; R122-R126 WeakPolarHBondContact O-CB 3.38Å; R122-R126 PolarHBondContact O-N 3.4Å; R122-E137 PolarHBondContact NH1-O 2.86Å; R122-D138 IonicContact CZ-OD1 2.77Å; R122-D138 IonicContact NE-OD1 2.94Å; R122-D138 PolarHBondContact NH1-O 3.32Å; R122-D138 IonicContact NH1-OD1 3.24Å; R122-D138 PolarHBondContact NH1-OD1 2.92Å; R122-M153 VanDerWaalsContact CA-CE 3.48Å; R122-M153 HydrophobicContact CB-CE 3.76Å; R122-M153 HydrophobicContact CB-CG 4.47Å; R122-M153 HydrophobicContact CB-SD 3.57Å; R122-M153 VanDerWaalsContact CB-SD 3.57Å; R122-M153 HydrophobicContact CG-CE 4.36Å; R122-M153 HydrophobicContact CG-CG 4.06Å; R122-M153 HydrophobicContact CG-SD 3.67Å; R122-M153 VanDerWaalsContact N-CE 3.28Å |
| 123 | V | 93.9 | Very high | 88.7 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F119 A120 I121 R126 E127 D138 | F119-V123 HydrophobicContact CD2-CG2 4.28Å; F119-V123 HydrophobicContact CE1-CG2 4.28Å; F119-V123 HydrophobicContact CE2-CG2 3.85Å; F119-V123 HydrophobicContact CZ-CG2 3.88Å; F119-V123 WeakPolarHBondContact O-CG2 3.4Å; F119-V123 PolarHBondContact O-N 3.45Å; A120-V123 PolarHBondContact O-N 3.09Å; I121-V123 PolarHBondContact O-N 2.95Å; V123-R126 WeakPolarHBondContact O-CB 3.48Å; V123-R126 PolarHBondContact O-N 3.37Å; V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 PolarHBondContact O-N 3.5Å; V123-D138 HydrophobicContact CG2-CB 4.14Å; V123-D138 WeakPolarHBondContact CG2-OD2 3.49Å |
| 124 | G | 92.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 55 Ų | 55 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A120 I121 R122 E127 R128 | A120-G124 PolarHBondContact O-N 3.46Å; I121-G124 CarbonylContact O-C 3.46Å; I121-G124 PolarHBondContact O-N 3.22Å; R122-G124 VanDerWaalsContact C-N 3.33Å; G124-E127 PolarHBondContact O-N 3.45Å; G124-R128 WeakPolarHBondContact O-CB 3.42Å; G124-R128 VanDerWaalsContact O-CG 3.29Å; G124-R128 WeakPolarHBondContact O-CG 3.5Å; G124-R128 PolarHBondContact O-N 2.94Å |
| 125 | I | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 173.5 | -72.5 | 174 | 0 | 0 | 0 | 110.3 | W73 L101 F105 I121 R122 E127 R128 Y129 I131 M153 E156 M157 | W73-I125 HydrophobicContact CH2-CG2 3.85Å; W73-I125 HydrophobicContact CZ3-CG2 3.93Å; L101-I125 HydrophobicContact CD1-CD1 4.27Å; F105-I125 HydrophobicContact CD2-CD1 4.36Å; F105-I125 HydrophobicContact CD2-CG1 3.67Å; F105-I125 HydrophobicContact CE2-CB 4.45Å; F105-I125 HydrophobicContact CE2-CG1 3.5Å; I121-I125 HydrophobicContact CG2-CD1 3.91Å; I121-I125 HydrophobicContact CG2-CG1 4.23Å; I121-I125 WeakPolarHBondContact O-CB 3.39Å; I121-I125 VanDerWaalsContact O-CG1 3.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 2.85Å; R122-I125 PolarHBondContact O-N 3.07Å; I125-E127 VanDerWaalsContact C-N 3.3Å; I125-E127 PolarHBondContact O-N 2.98Å; I125-R128 PolarHBondContact O-N 3.41Å; I125-Y129 HydrophobicContact CB-CD2 4.47Å; I125-Y129 HydrophobicContact CG2-CD2 3.63Å; I125-Y129 HydrophobicContact CG2-CE2 3.91Å; I125-Y129 VanDerWaalsContact O-CD2 3.26Å; I125-Y129 WeakPolarHBondContact O-CD2 3.22Å; I125-Y129 PolarHBondContact O-N 3.45Å; I125-I131 HydrophobicContact CG2-CD1 4.27Å; I125-M153 HydrophobicContact CD1-CB 3.73Å; I125-M153 HydrophobicContact CD1-CE 3.64Å; I125-M153 HydrophobicContact CD1-CG 3.99Å; I125-E156 HydrophobicContact CG2-CG 4.43Å; I125-M157 HydrophobicContact CD1-CG 3.88Å; I125-M157 HydrophobicContact CD1-SD 3.44Å; I125-M157 WeakPolarHBondContact CD1-SD 3.34Å; I125-M157 HydrophobicContact CG1-CG 4.35Å; I125-M157 HydrophobicContact CG1-SD 4.14Å |
| 126 | R | 93.2 | Very high | 91.2 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 177.8 | 175.3 | 167.1 | 52.4 | 75.9 | 8.6 | 111.4 | R122 V123 K130 I131 D138 | R122-R126 WeakPolarHBondContact O-CB 3.38Å; R122-R126 PolarHBondContact O-N 3.4Å; V123-R126 WeakPolarHBondContact O-CB 3.48Å; V123-R126 PolarHBondContact O-N 3.37Å; R126-K130 CarbonylContact O-C 3.18Å; R126-K130 VanDerWaalsContact O-CA 3.26Å; R126-K130 WeakPolarHBondContact O-CA 3.38Å; R126-K130 PolarHBondContact O-N 3.21Å; R126-I131 HydrophobicContact CB-CB 4.38Å; R126-I131 WeakPolarHBondContact CD-O 3.49Å; R126-I131 HydrophobicContact CG-CB 4Å; R126-I131 WeakPolarHBondContact CG-O 3.41Å; R126-I131 PolarHBondContact O-N 3.11Å; R126-D138 IonicContact CZ-OD2 2.69Å; R126-D138 IonicContact NE-OD1 2.7Å; R126-D138 IonicContact NE-OD2 3.81Å; R126-D138 PolarHBondContact NE-OD2 2.93Å; R126-D138 IonicContact NH2-OD2 3.08Å; R126-D138 PolarHBondContact NH2-OD2 2.53Å |
| 127 | E | 91.6 | Very high | 91.6 | Very high | 104 Ų | 104 | 54.6 Ų | 54.6 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.9 | -48.1 | 177.8 | -173.9 | 54.1 | -140.6 | 0 | 0 | 111.7 | V123 G124 I125 Y129 K130 | V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 PolarHBondContact O-N 3.5Å; G124-E127 PolarHBondContact O-N 3.45Å; I125-E127 VanDerWaalsContact C-N 3.3Å; I125-E127 PolarHBondContact O-N 2.98Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-Y129 PolarHBondContact O-N 2.92Å; E127-K130 WeakPolarHBondContact O-CD 3.21Å; E127-K130 PolarHBondContact O-N 2.85Å; E127-K130 IonicContact OE1-NZ 3.76Å; E127-K130 PolarHBondContact OE1-NZ 3.39Å |
| 128 | R | 89.4 | Confident | 91.9 | Very high | 128 Ų | 128 | 54.2 Ų | 54.2 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | -179.3 | -74.6 | -167.7 | -172.4 | -177.7 | 9.6 | 112.5 | M69 F105 E107 G124 I125 | M69-R128 WeakPolarHBondContact CE-O 3.26Å; F105-R128 PolarHBondContact O-NH1 3.12Å; E107-R128 IonicContact OE1-NH2 2.72Å; E107-R128 PolarHBondContact OE1-NH2 3.24Å; G124-R128 WeakPolarHBondContact O-CB 3.42Å; G124-R128 VanDerWaalsContact O-CG 3.29Å; G124-R128 WeakPolarHBondContact O-CG 3.5Å; G124-R128 PolarHBondContact O-N 2.94Å; I125-R128 PolarHBondContact O-N 3.41Å |
| 129 | Y | 89.6 | Confident | 92 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 14% | 0.137 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 8.5 | -179.1 | -57.1 | -57.2 | 0 | 0 | 0 | 114 | G70 I125 E127 I131 M157 R160 | G70-Y129 WeakPolarHBondContact CA-O 3.48Å; G70-Y129 PolarHBondContact N-O 3.13Å; I125-Y129 HydrophobicContact CB-CD2 4.47Å; I125-Y129 HydrophobicContact CG2-CD2 3.63Å; I125-Y129 HydrophobicContact CG2-CE2 3.91Å; I125-Y129 VanDerWaalsContact O-CD2 3.26Å; I125-Y129 WeakPolarHBondContact O-CD2 3.22Å; I125-Y129 PolarHBondContact O-N 3.45Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-Y129 PolarHBondContact O-N 2.92Å; Y129-I131 PolarHBondContact O-N 2.89Å; Y129-M157 HydrophobicContact CE2-CG 4.34Å; Y129-R160 HydrophobicContact CD1-CB 4.23Å; Y129-R160 HydrophobicContact CD1-CG 4.11Å; Y129-R160 HydrophobicContact CE1-CB 3.77Å; Y129-R160 HydrophobicContact CE1-CG 4.11Å; Y129-R160 HydrophobicContact CG-CG 4.31Å |
| 130 | K | 90.8 | Very high | 92 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.3 | -179.6 | -59 | -63.9 | -179.1 | -178 | 0 | 113.7 | G70 R126 E127 | G70-K130 VanDerWaalsContact CA-O 3.29Å; G70-K130 WeakPolarHBondContact CA-O 3.21Å; R126-K130 CarbonylContact O-C 3.18Å; R126-K130 VanDerWaalsContact O-CA 3.26Å; R126-K130 WeakPolarHBondContact O-CA 3.38Å; R126-K130 PolarHBondContact O-N 3.21Å; E127-K130 WeakPolarHBondContact O-CD 3.21Å; E127-K130 PolarHBondContact O-N 2.85Å; E127-K130 IonicContact OE1-NZ 3.76Å; E127-K130 PolarHBondContact OE1-NZ 3.39Å |
| 131 | I | 92.8 | Very high | 92 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 138.2 | -179.3 | -59.3 | 169.5 | 0 | 0 | 0 | 109.4 | G71 W73 I125 R126 Y129 E156 | G71-I131 CarbonylContact O-C 3.59Å; G71-I131 VanDerWaalsContact O-CA 3.24Å; G71-I131 WeakPolarHBondContact O-CA 3.15Å; W73-I131 HydrophobicContact CD2-CD1 4.19Å; W73-I131 HydrophobicContact CD2-CG2 4.23Å; W73-I131 HydrophobicContact CE3-CD1 3.96Å; W73-I131 HydrophobicContact CG-CG2 4.09Å; W73-I131 HydrophobicContact CH2-CD1 4.32Å; W73-I131 HydrophobicContact CZ3-CD1 4.03Å; I125-I131 HydrophobicContact CG2-CD1 4.27Å; R126-I131 HydrophobicContact CB-CB 4.38Å; R126-I131 WeakPolarHBondContact CD-O 3.49Å; R126-I131 HydrophobicContact CG-CB 4Å; R126-I131 WeakPolarHBondContact CG-O 3.41Å; R126-I131 PolarHBondContact O-N 3.11Å; Y129-I131 PolarHBondContact O-N 2.89Å; I131-E156 HydrophobicContact CD1-CG 4.01Å |
| 132 | R | 91.6 | Very high | 91.9 | Very high | 160 Ų | 160 | 57.9 Ų | 57.9 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | trans | -74 | 138.3 | 175.2 | -62.1 | -175.1 | -64.5 | -168.8 | -0.8 | 110.1 | G71 D72 | G71-R132 PolarHBondContact O-N 3.34Å; D72-R132 IonicContact OD1-CZ 3.62Å; D72-R132 VanDerWaalsContact OD1-CZ 3.24Å; D72-R132 IonicContact OD1-NE 3.82Å; D72-R132 PolarHBondContact OD1-NE 3.27Å; D72-R132 IonicContact OD1-NH2 3.45Å; D72-R132 PolarHBondContact OD1-NH2 3.28Å; D72-R132 IonicContact OD2-CZ 2.65Å; D72-R132 IonicContact OD2-NH2 2.74Å; D72-R132 PolarHBondContact OD2-NH2 2.85Å | ||
| 133 | G | 90.4 | Very high | 91.7 | Very high | 38 Ų | 38 | 66 Ų | 66 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | trans | 156.5 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 134 | S | 91.5 | Very high | 91.5 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | trans | -111.6 | 158.2 | 177.6 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | C136 E137 D138 | S134-C136 PolarHBondContact O-N 3.31Å; S134-E137 WeakPolarHBondContact O-CB 3.21Å; S134-E137 PolarHBondContact O-N 3.03Å; S134-E137 VanDerWaalsContact O-N 3.15Å; S134-E137 WeakPolarHBondContact OG-CB 3.5Å; S134-E137 PolarHBondContact OG-N 3.25Å; S134-E137 VanDerWaalsContact OG-N 3.09Å; S134-D138 PolarHBondContact O-N 2.99Å | ||
| 135 | V | 91.9 | Very high | 91.2 | Very high | 79 Ų | 79 | 69.1 Ų | 69.1 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -31.2 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | F119 D138 W139 | F119-V135 HydrophobicContact CE2-CG1 3.92Å; F119-V135 HydrophobicContact CZ-CG1 3.46Å; F119-V135 VanDerWaalsContact CZ-CG1 3.46Å; V135-D138 WeakPolarHBondContact O-CB 3.44Å; V135-D138 PolarHBondContact O-N 2.74Å; V135-W139 PolarHBondContact O-N 2.96Å |
| 136 | C | 93.3 | Very high | 91 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69 | -39.7 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 112 | S134 D138 W139 S140 | S134-C136 PolarHBondContact O-N 3.31Å; C136-D138 PolarHBondContact O-N 2.78Å; C136-W139 PolarHBondContact O-N 2.65Å; C136-S140 WeakPolarHBondContact O-CB 3.26Å; C136-S140 PolarHBondContact O-N 3.28Å; C136-S140 PolarHBondContact O-OG 2.97Å |
| 137 | E | 91.7 | Very high | 90.6 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 171.2 | -167.8 | -178.2 | 166.1 | 0 | 0 | 111.4 | R122 S134 S140 A141 | R122-E137 PolarHBondContact NH1-O 2.86Å; S134-E137 WeakPolarHBondContact O-CB 3.21Å; S134-E137 PolarHBondContact O-N 3.03Å; S134-E137 VanDerWaalsContact O-N 3.15Å; S134-E137 WeakPolarHBondContact OG-CB 3.5Å; S134-E137 PolarHBondContact OG-N 3.25Å; S134-E137 VanDerWaalsContact OG-N 3.09Å; E137-S140 WeakPolarHBondContact CA-OG 3.28Å; E137-S140 PolarHBondContact O-OG 3.02Å; E137-A141 PolarHBondContact O-N 2.95Å; E137-A141 VanDerWaalsContact O-N 3.14Å |
| 138 | D | 93.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -52.2 | 173.3 | -75.4 | -19.2 | 0 | 0 | 0 | 112.9 | F119 R122 V123 R126 S134 V135 C136 V142 | F119-D138 HydrophobicContact CD2-CB 4.11Å; F119-D138 HydrophobicContact CE2-CB 3.84Å; R122-D138 IonicContact CZ-OD1 2.77Å; R122-D138 IonicContact NE-OD1 2.94Å; R122-D138 PolarHBondContact NH1-O 3.32Å; R122-D138 IonicContact NH1-OD1 3.24Å; R122-D138 PolarHBondContact NH1-OD1 2.92Å; V123-D138 HydrophobicContact CG2-CB 4.14Å; V123-D138 WeakPolarHBondContact CG2-OD2 3.49Å; R126-D138 IonicContact CZ-OD2 2.69Å; R126-D138 IonicContact NE-OD1 2.7Å; R126-D138 IonicContact NE-OD2 3.81Å; R126-D138 PolarHBondContact NE-OD2 2.93Å; R126-D138 IonicContact NH2-OD2 3.08Å; R126-D138 PolarHBondContact NH2-OD2 2.53Å; S134-D138 PolarHBondContact O-N 2.99Å; V135-D138 WeakPolarHBondContact O-CB 3.44Å; V135-D138 PolarHBondContact O-N 2.74Å; C136-D138 PolarHBondContact O-N 2.78Å; D138-V142 WeakPolarHBondContact O-CG2 3.24Å; D138-V142 PolarHBondContact O-N 2.94Å |
| 139 | W | 91.8 | Very high | 90.5 | Very high | 144 Ų | 144 | 64.2 Ų | 64.2 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 179 | 177.8 | 77.9 | 0 | 0 | 0 | 111.9 | F119 V135 C136 A141 V142 Y143 | F119-W139 HydrophobicContact CD2-CB 4.16Å; F119-W139 HydrophobicContact CE2-CB 3.82Å; V135-W139 PolarHBondContact O-N 2.96Å; C136-W139 PolarHBondContact O-N 2.65Å; W139-A141 PolarHBondContact O-N 2.77Å; W139-V142 PolarHBondContact O-N 2.72Å; W139-Y143 HydrophobicContact CZ2-CD2 4.37Å; W139-Y143 HydrophobicContact CZ2-CG 4.27Å; W139-Y143 VanDerWaalsContact O-CB 3.25Å; W139-Y143 WeakPolarHBondContact O-CB 3.43Å; W139-Y143 PolarHBondContact O-N 2.96Å |
| 140 | S | 92.3 | Very high | 90.6 | Very high | 41 Ų | 41 | 62.6 Ų | 62.6 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | -178.2 | 56 | 0 | 0 | 0 | 0 | 112.8 | C136 E137 C144 | C136-S140 WeakPolarHBondContact O-CB 3.26Å; C136-S140 PolarHBondContact O-N 3.28Å; C136-S140 PolarHBondContact O-OG 2.97Å; E137-S140 WeakPolarHBondContact CA-OG 3.28Å; E137-S140 PolarHBondContact O-OG 3.02Å; S140-C144 WeakPolarHBondContact O-CB 3.25Å; S140-C144 PolarHBondContact O-N 2.83Å; S140-C144 PolarHBondContact O-SG 2.95Å |
| 141 | A | 91.2 | Very high | 90.5 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L77 E137 W139 C145 A149 | L77-A141 HydrophobicContact CD1-CB 4.12Å; L77-A141 HydrophobicContact CD2-CB 3.8Å; E137-A141 PolarHBondContact O-N 2.95Å; E137-A141 VanDerWaalsContact O-N 3.14Å; W139-A141 PolarHBondContact O-N 2.77Å; A141-C145 CarbonylContact O-C 3.52Å; A141-C145 WeakPolarHBondContact O-CA 3.46Å; A141-C145 PolarHBondContact O-N 3.2Å; A141-A149 HydrophobicContact CB-CB 4.44Å |
| 142 | V | 91.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 57 Ų | 57 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | D138 W139 Y146 A149 | D138-V142 WeakPolarHBondContact O-CG2 3.24Å; D138-V142 PolarHBondContact O-N 2.94Å; W139-V142 PolarHBondContact O-N 2.72Å; V142-Y146 HydrophobicContact CG1-CD2 3.93Å; V142-Y146 HydrophobicContact CG1-CE2 4.41Å; V142-Y146 VanDerWaalsContact O-CA 3.27Å; V142-Y146 WeakPolarHBondContact O-CA 3.43Å; V142-Y146 WeakPolarHBondContact O-CB 3.36Å; V142-Y146 PolarHBondContact O-N 2.79Å; V142-A149 HydrophobicContact CG2-CB 4.17Å |
| 143 | Y | 89.1 | Confident | 90.5 | Very high | 175 Ų | 175 | 49.4 Ų | 49.4 | 69% | 0.686 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.5 | -46.6 | -179.9 | -172 | -98.7 | 0 | 0 | 0 | 112.8 | W139 | W139-Y143 HydrophobicContact CZ2-CD2 4.37Å; W139-Y143 HydrophobicContact CZ2-CG 4.27Å; W139-Y143 VanDerWaalsContact O-CB 3.25Å; W139-Y143 WeakPolarHBondContact O-CB 3.43Å; W139-Y143 PolarHBondContact O-N 2.96Å |
| 144 | C | 89.3 | Confident | 90.5 | Very high | 95 Ų | 95 | 48.3 Ų | 48.3 | 64% | 0.642 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -78.2 | -32.8 | -177.3 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | S140 | S140-C144 WeakPolarHBondContact O-CB 3.25Å; S140-C144 PolarHBondContact O-N 2.83Å; S140-C144 PolarHBondContact O-SG 2.95Å |
| 145 | C | 87.2 | Confident | 90.4 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | trans | -146.1 | 53.5 | -167.5 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | L77 A141 L148 A149 | L77-C145 HydrophobicContact CD2-CB 3.97Å; A141-C145 CarbonylContact O-C 3.52Å; A141-C145 WeakPolarHBondContact O-CA 3.46Å; A141-C145 PolarHBondContact O-N 3.2Å; C145-L148 HydrophobicContact CB-CB 4.21Å; C145-L148 HydrophobicContact CB-CD1 4.23Å; C145-L148 PolarHBondContact O-N 2.89Å; C145-L148 VanDerWaalsContact O-N 3.12Å; C145-A149 PolarHBondContact O-N 3.44Å | ||
| 146 | Y | 87.4 | Confident | 90.4 | Very high | 73 Ų | 73 | 43 Ų | 43 | 29% | 0.286 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -43 | -60 | -176.9 | -176.9 | -91.7 | 0 | 0 | 0 | 115.6 | P94 D98 T118 V142 L148 A149 V150 | P94-Y146 HydrophobicContact CB-CE1 4.49Å; D98-Y146 PolarHBondContact OD1-OH 3.28Å; D98-Y146 WeakPolarHBondContact OD2-CE1 3.29Å; D98-Y146 PolarHBondContact OD2-OH 3.32Å; T118-Y146 HydrophobicContact CG2-CE2 3.68Å; T118-Y146 WeakPolarHBondContact CG2-OH 3.36Å; T118-Y146 WeakPolarHBondContact OG1-CE2 3.21Å; V142-Y146 HydrophobicContact CG1-CD2 3.93Å; V142-Y146 HydrophobicContact CG1-CE2 4.41Å; V142-Y146 VanDerWaalsContact O-CA 3.27Å; V142-Y146 WeakPolarHBondContact O-CA 3.43Å; V142-Y146 WeakPolarHBondContact O-CB 3.36Å; V142-Y146 PolarHBondContact O-N 2.79Å; Y146-L148 VanDerWaalsContact C-N 3.26Å; Y146-L148 PolarHBondContact O-N 2.91Å; Y146-A149 WeakPolarHBondContact O-CB 3.14Å; Y146-A149 PolarHBondContact O-N 3.3Å; Y146-A149 VanDerWaalsContact O-N 3.13Å; Y146-V150 HydrophobicContact CD1-CG2 4.34Å; Y146-V150 HydrophobicContact CE1-CG2 4.05Å; Y146-V150 WeakPolarHBondContact O-CG2 3.24Å; Y146-V150 PolarHBondContact O-N 2.85Å |
| 147 | P | 85.1 | Confident | 90.2 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.8 | -32.1 | -175 | 25.9 | -35.3 | 0 | 0 | 0 | 112.3 | C151 | P147-C151 WeakPolarHBondContact O-CB 3.48Å; P147-C151 PolarHBondContact O-N 3.43Å; P147-C151 PolarHBondContact O-SG 3.01Å |
| 148 | L | 88.4 | Confident | 90 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.9 | -38 | 177.3 | -60.3 | -178.5 | 0 | 0 | 0 | 111.6 | L77 F78 V80 C145 Y146 C151 Q152 | L77-L148 HydrophobicContact CD1-CB 4.22Å; L77-L148 HydrophobicContact CG-CB 4.14Å; F78-L148 HydrophobicContact CD1-CD1 3.46Å; F78-L148 VanDerWaalsContact CD1-CD1 3.46Å; F78-L148 HydrophobicContact CE1-CD1 3.63Å; F78-L148 HydrophobicContact CG-CD1 4.44Å; V80-L148 HydrophobicContact CG2-CD2 3.9Å; C145-L148 HydrophobicContact CB-CB 4.21Å; C145-L148 HydrophobicContact CB-CD1 4.23Å; C145-L148 PolarHBondContact O-N 2.89Å; C145-L148 VanDerWaalsContact O-N 3.12Å; Y146-L148 VanDerWaalsContact C-N 3.26Å; Y146-L148 PolarHBondContact O-N 2.91Å; L148-C151 PolarHBondContact O-N 3.27Å; L148-Q152 WeakPolarHBondContact O-CB 3.5Å; L148-Q152 PolarHBondContact O-N 3.25Å |
| 149 | A | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L77 A141 V142 C145 Y146 C151 Q152 M153 | L77-A149 VanDerWaalsContact CD1-CA 3.42Å; L77-A149 HydrophobicContact CD1-CB 3.94Å; A141-A149 HydrophobicContact CB-CB 4.44Å; V142-A149 HydrophobicContact CG2-CB 4.17Å; C145-A149 PolarHBondContact O-N 3.44Å; Y146-A149 WeakPolarHBondContact O-CB 3.14Å; Y146-A149 PolarHBondContact O-N 3.3Å; Y146-A149 VanDerWaalsContact O-N 3.13Å; A149-C151 PolarHBondContact O-N 2.93Å; A149-Q152 WeakPolarHBondContact O-CB 3.49Å; A149-Q152 PolarHBondContact O-N 3.45Å; A149-M153 VanDerWaalsContact O-CG 3.26Å; A149-M153 WeakPolarHBondContact O-CG 3.48Å; A149-M153 PolarHBondContact O-N 2.81Å |
| 150 | V | 89.9 | Confident | 89.3 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | L97 D98 L101 T118 Y146 Q152 M153 I154 | L97-V150 HydrophobicContact CB-CG1 4.42Å; L97-V150 HydrophobicContact CD2-CB 3.87Å; L97-V150 HydrophobicContact CD2-CG1 3.44Å; L97-V150 VanDerWaalsContact CD2-CG1 3.44Å; L97-V150 HydrophobicContact CG-CG1 3.57Å; D98-V150 WeakPolarHBondContact OD1-CG2 3.3Å; L101-V150 HydrophobicContact CB-CG1 4.25Å; L101-V150 HydrophobicContact CD2-CG1 3.83Å; T118-V150 HydrophobicContact CG2-CG2 4.35Å; Y146-V150 HydrophobicContact CD1-CG2 4.34Å; Y146-V150 HydrophobicContact CE1-CG2 4.05Å; Y146-V150 WeakPolarHBondContact O-CG2 3.24Å; Y146-V150 PolarHBondContact O-N 2.85Å; V150-Q152 VanDerWaalsContact C-N 3.33Å; V150-Q152 PolarHBondContact O-N 3.4Å; V150-M153 PolarHBondContact O-N 3.27Å; V150-I154 HydrophobicContact CG1-CD1 3.92Å; V150-I154 HydrophobicContact CG1-CG1 4.49Å; V150-I154 WeakPolarHBondContact O-CG1 3.26Å; V150-I154 PolarHBondContact O-N 3.41Å |
| 151 | C | 89.7 | Confident | 88.8 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.2 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | P147 L148 A149 R155 | P147-C151 WeakPolarHBondContact O-CB 3.48Å; P147-C151 PolarHBondContact O-N 3.43Å; P147-C151 PolarHBondContact O-SG 3.01Å; L148-C151 PolarHBondContact O-N 3.27Å; A149-C151 PolarHBondContact O-N 2.93Å; C151-R155 WeakPolarHBondContact O-CB 3.35Å; C151-R155 VanDerWaalsContact O-CD 3.31Å; C151-R155 WeakPolarHBondContact O-CD 3.4Å; C151-R155 VanDerWaalsContact O-CG 3.3Å; C151-R155 WeakPolarHBondContact O-CG 3.38Å; C151-R155 PolarHBondContact O-N 3.13Å; C151-R155 VanDerWaalsContact O-N 3.13Å |
| 152 | Q | 92.5 | Very high | 88 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 175.2 | -172.8 | -171.4 | 30.8 | 0 | 0 | 110.7 | W73 T75 L77 L148 A149 V150 R155 E156 | W73-Q152 HydrophobicContact CD2-CG 4.35Å; W73-Q152 HydrophobicContact CE3-CG 4Å; W73-Q152 VanDerWaalsContact CG-NE2 3.3Å; T75-Q152 PolarHBondContact O-NE2 2.83Å; L77-Q152 HydrophobicContact CD1-CB 4.32Å; L148-Q152 WeakPolarHBondContact O-CB 3.5Å; L148-Q152 PolarHBondContact O-N 3.25Å; A149-Q152 WeakPolarHBondContact O-CB 3.49Å; A149-Q152 PolarHBondContact O-N 3.45Å; V150-Q152 VanDerWaalsContact C-N 3.33Å; V150-Q152 PolarHBondContact O-N 3.4Å; Q152-R155 PolarHBondContact O-N 2.8Å; Q152-E156 PolarHBondContact O-N 3.19Å |
| 153 | M | 92.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 179.8 | -68.7 | 162.3 | 63.2 | 0 | 0 | 112.4 | W73 L101 I121 R122 I125 A149 V150 R155 E156 M157 | W73-M153 HydrophobicContact CH2-CG 4.01Å; W73-M153 HydrophobicContact CZ3-CG 4.24Å; L101-M153 HydrophobicContact CD1-CB 3.87Å; L101-M153 HydrophobicContact CD1-CE 4.12Å; L101-M153 HydrophobicContact CD2-CB 4.45Å; L101-M153 HydrophobicContact CD2-CE 3.44Å; L101-M153 VanDerWaalsContact CD2-CE 3.44Å; L101-M153 HydrophobicContact CD2-SD 4.25Å; L101-M153 HydrophobicContact CG-CE 4.3Å; I121-M153 HydrophobicContact CB-CE 3.8Å; I121-M153 HydrophobicContact CG2-CE 3.42Å; I121-M153 VanDerWaalsContact CG2-CE 3.42Å; R122-M153 VanDerWaalsContact CA-CE 3.48Å; R122-M153 HydrophobicContact CB-CE 3.76Å; R122-M153 HydrophobicContact CB-CG 4.47Å; R122-M153 HydrophobicContact CB-SD 3.57Å; R122-M153 VanDerWaalsContact CB-SD 3.57Å; R122-M153 HydrophobicContact CG-CE 4.36Å; R122-M153 HydrophobicContact CG-CG 4.06Å; R122-M153 HydrophobicContact CG-SD 3.67Å; R122-M153 VanDerWaalsContact N-CE 3.28Å; I125-M153 HydrophobicContact CD1-CB 3.73Å; I125-M153 HydrophobicContact CD1-CE 3.64Å; I125-M153 HydrophobicContact CD1-CG 3.99Å; A149-M153 VanDerWaalsContact O-CG 3.26Å; A149-M153 WeakPolarHBondContact O-CG 3.48Å; A149-M153 PolarHBondContact O-N 2.81Å; V150-M153 PolarHBondContact O-N 3.27Å; M153-R155 VanDerWaalsContact C-N 3.3Å; M153-R155 PolarHBondContact O-N 3.44Å; M153-E156 WeakPolarHBondContact O-CB 3.48Å; M153-E156 PolarHBondContact O-N 3.49Å; M153-M157 VanDerWaalsContact O-CG 3.29Å; M153-M157 WeakPolarHBondContact O-CG 3.29Å; M153-M157 PolarHBondContact O-N 3.39Å |
| 154 | I | 90.3 | Very high | 85.5 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 178.2 | -69.6 | 168.9 | 0 | 0 | 0 | 111.1 | T86 L97 L101 V150 E156 M157 K158 | T86-I154 HydrophobicContact CG2-CD1 4.22Å; T86-I154 HydrophobicContact CG2-CG2 4.36Å; L97-I154 HydrophobicContact CD1-CD1 3.29Å; L97-I154 HydrophobicContact CD2-CD1 4.28Å; L97-I154 HydrophobicContact CG-CD1 3.57Å; L101-I154 HydrophobicContact CB-CD1 4.15Å; L101-I154 HydrophobicContact CB-CG1 3.91Å; L101-I154 HydrophobicContact CD1-CG1 3.86Å; L101-I154 HydrophobicContact CG-CG1 4.43Å; V150-I154 HydrophobicContact CG1-CD1 3.92Å; V150-I154 HydrophobicContact CG1-CG1 4.49Å; V150-I154 WeakPolarHBondContact O-CG1 3.26Å; V150-I154 PolarHBondContact O-N 3.41Å; I154-E156 VanDerWaalsContact C-N 3.34Å; I154-M157 PolarHBondContact O-N 2.99Å; I154-K158 VanDerWaalsContact O-CB 3.28Å; I154-K158 WeakPolarHBondContact O-CB 3.46Å; I154-K158 PolarHBondContact O-N 3.46Å |
| 155 | R | 89.6 | Confident | 84.1 | Confident | 23 Ų | 23 | 44 Ų | 44 | 9% | 0.087 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 179 | -75.1 | 162.9 | 56.3 | -110 | 8 | 112.2 | T75 N79 D83 C151 Q152 M153 R159 | T75-R155 PolarHBondContact OG1-NH1 2.82Å; T75-R155 PolarHBondContact OG1-NH2 3.43Å; N79-R155 PolarHBondContact ND2-NH2 3.3Å; N79-R155 VanDerWaalsContact ND2-NH2 3.2Å; D83-R155 HydrophobicContact CB-CG 3.99Å; C151-R155 WeakPolarHBondContact O-CB 3.35Å; C151-R155 VanDerWaalsContact O-CD 3.31Å; C151-R155 WeakPolarHBondContact O-CD 3.4Å; C151-R155 VanDerWaalsContact O-CG 3.3Å; C151-R155 WeakPolarHBondContact O-CG 3.38Å; C151-R155 PolarHBondContact O-N 3.13Å; C151-R155 VanDerWaalsContact O-N 3.13Å; Q152-R155 PolarHBondContact O-N 2.8Å; M153-R155 VanDerWaalsContact C-N 3.3Å; M153-R155 PolarHBondContact O-N 3.44Å; R155-R159 WeakPolarHBondContact O-CB 3.41Å; R155-R159 PolarHBondContact O-N 3.03Å |
| 156 | E | 91.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -51.9 | 173.7 | -169.5 | 63.6 | -148.1 | 0 | 0 | 110.3 | W73 S74 I125 I131 Q152 M153 I154 K158 R159 R160 | W73-E156 HydrophobicContact CE3-CB 4.08Å; W73-E156 HydrophobicContact CE3-CG 3.98Å; W73-E156 HydrophobicContact CZ3-CB 3.93Å; W73-E156 HydrophobicContact CZ3-CG 3.95Å; S74-E156 WeakPolarHBondContact CA-OE2 3.45Å; S74-E156 WeakPolarHBondContact CB-OE2 3.37Å; S74-E156 PolarHBondContact N-OE2 2.93Å; S74-E156 PolarHBondContact OG-OE2 3.4Å; I125-E156 HydrophobicContact CG2-CG 4.43Å; I131-E156 HydrophobicContact CD1-CG 4.01Å; Q152-E156 PolarHBondContact O-N 3.19Å; M153-E156 WeakPolarHBondContact O-CB 3.48Å; M153-E156 PolarHBondContact O-N 3.49Å; I154-E156 VanDerWaalsContact C-N 3.34Å; E156-K158 PolarHBondContact O-N 2.84Å; E156-R159 WeakPolarHBondContact O-CB 3.46Å; E156-R159 PolarHBondContact O-N 2.68Å; E156-R159 VanDerWaalsContact O-N 3.16Å; E156-R160 HydrophobicContact CG-CG 4.49Å; E156-R160 WeakPolarHBondContact O-CG 2.97Å; E156-R160 PolarHBondContact O-N 3.33Å; E156-R160 IonicContact OE1-CZ 3.2Å; E156-R160 IonicContact OE1-NE 3.44Å; E156-R160 PolarHBondContact OE1-NE 2.89Å; E156-R160 IonicContact OE1-NH2 2.78Å; E156-R160 PolarHBondContact OE1-NH2 3.16Å |
| 157 | M | 89.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | -178.8 | -67.3 | 172.9 | 71.3 | 0 | 0 | 111.9 | L101 Q104 F105 I125 Y129 M153 I154 R159 R160 M161 | L101-M157 HydrophobicContact CD1-SD 3.49Å; L101-M157 WeakPolarHBondContact CD1-SD 3.34Å; Q104-M157 HydrophobicContact CB-CE 3.52Å; Q104-M157 HydrophobicContact CB-SD 4.39Å; Q104-M157 WeakPolarHBondContact O-CE 3.42Å; F105-M157 HydrophobicContact CB-CE 3.7Å; F105-M157 HydrophobicContact CD2-CE 3.87Å; F105-M157 HydrophobicContact CD2-SD 4.39Å; F105-M157 HydrophobicContact CG-CE 4.28Å; I125-M157 HydrophobicContact CD1-CG 3.88Å; I125-M157 HydrophobicContact CD1-SD 3.44Å; I125-M157 WeakPolarHBondContact CD1-SD 3.34Å; I125-M157 HydrophobicContact CG1-CG 4.35Å; I125-M157 HydrophobicContact CG1-SD 4.14Å; Y129-M157 HydrophobicContact CE2-CG 4.34Å; M153-M157 VanDerWaalsContact O-CG 3.29Å; M153-M157 WeakPolarHBondContact O-CG 3.29Å; M153-M157 PolarHBondContact O-N 3.39Å; I154-M157 PolarHBondContact O-N 2.99Å; M157-R159 PolarHBondContact O-N 3.27Å; M157-R160 PolarHBondContact O-N 3.14Å; M157-M161 HydrophobicContact CE-CE 4.24Å; M157-M161 WeakPolarHBondContact O-CB 3.11Å; M157-M161 VanDerWaalsContact O-CG 3.23Å; M157-M161 WeakPolarHBondContact O-CG 3.26Å; M157-M161 PolarHBondContact O-N 3.37Å |
| 158 | K | 87.3 | Confident | 79.7 | Confident | 93 Ų | 93 | 53.2 Ų | 53.2 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.7 | -36.7 | 176.4 | -174.3 | 174.6 | -178.9 | 177.4 | 0 | 112.2 | D83 I154 E156 K162 | D83-K158 IonicContact OD2-NZ 3.7Å; I154-K158 VanDerWaalsContact O-CB 3.28Å; I154-K158 WeakPolarHBondContact O-CB 3.46Å; I154-K158 PolarHBondContact O-N 3.46Å; E156-K158 PolarHBondContact O-N 2.84Å; K158-K162 WeakPolarHBondContact O-CB 3.25Å; K158-K162 VanDerWaalsContact O-CG 3.25Å; K158-K162 WeakPolarHBondContact O-CG 3.46Å; K158-K162 PolarHBondContact O-N 3.38Å |
| 159 | R | 85.4 | Confident | 78.1 | Confident | 108 Ų | 108 | 56 Ų | 56 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.9 | -51.8 | 176.2 | -173.5 | -178.5 | -57.2 | -166.5 | 5.5 | 111.1 | S74 R155 E156 M157 M161 K162 T163 | S74-R159 PolarHBondContact O-NH1 3.37Å; S74-R159 PolarHBondContact OG-NE 3.02Å; S74-R159 PolarHBondContact OG-NH1 3.45Å; S74-R159 PolarHBondContact OG-NH2 3.26Å; R155-R159 WeakPolarHBondContact O-CB 3.41Å; R155-R159 PolarHBondContact O-N 3.03Å; E156-R159 WeakPolarHBondContact O-CB 3.46Å; E156-R159 PolarHBondContact O-N 2.68Å; E156-R159 VanDerWaalsContact O-N 3.16Å; M157-R159 PolarHBondContact O-N 3.27Å; R159-M161 VanDerWaalsContact C-N 3.34Å; R159-M161 PolarHBondContact O-N 3.21Å; R159-K162 PolarHBondContact O-N 3.04Å; R159-T163 PolarHBondContact O-N 3.4Å; R159-T163 PolarHBondContact O-OG1 3.29Å; R159-T163 VanDerWaalsContact O-OG1 3.05Å |
| 160 | R | 85.6 | Confident | 76.3 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.3 | -34.1 | -175.8 | -59.8 | -70.4 | 177.6 | 154.9 | 5.6 | 112.1 | Q68 Y129 E156 M157 T163 Q164 | Q68-R160 PolarHBondContact O-NH1 3.44Å; Y129-R160 HydrophobicContact CD1-CB 4.23Å; Y129-R160 HydrophobicContact CD1-CG 4.11Å; Y129-R160 HydrophobicContact CE1-CB 3.77Å; Y129-R160 HydrophobicContact CE1-CG 4.11Å; Y129-R160 HydrophobicContact CG-CG 4.31Å; E156-R160 HydrophobicContact CG-CG 4.49Å; E156-R160 WeakPolarHBondContact O-CG 2.97Å; E156-R160 PolarHBondContact O-N 3.33Å; E156-R160 IonicContact OE1-CZ 3.2Å; E156-R160 IonicContact OE1-NE 3.44Å; E156-R160 PolarHBondContact OE1-NE 2.89Å; E156-R160 IonicContact OE1-NH2 2.78Å; E156-R160 PolarHBondContact OE1-NH2 3.16Å; M157-R160 PolarHBondContact O-N 3.14Å; R160-T163 PolarHBondContact O-N 3.44Å; R160-Q164 PolarHBondContact O-N 2.92Å |
| 161 | M | 80.6 | Confident | 74.5 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 34% | 0.335 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 172.2 | -72.5 | 174.9 | 174 | 0 | 0 | 112.1 | Q104 M157 R159 T163 Q164 T165 | Q104-M161 HydrophobicContact CB-CE 4.23Å; Q104-M161 WeakPolarHBondContact O-CE 3.49Å; M157-M161 HydrophobicContact CE-CE 4.24Å; M157-M161 WeakPolarHBondContact O-CB 3.11Å; M157-M161 VanDerWaalsContact O-CG 3.23Å; M157-M161 WeakPolarHBondContact O-CG 3.26Å; M157-M161 PolarHBondContact O-N 3.37Å; R159-M161 VanDerWaalsContact C-N 3.34Å; R159-M161 PolarHBondContact O-N 3.21Å; M161-T163 VanDerWaalsContact C-N 3.31Å; M161-T163 PolarHBondContact O-N 2.97Å; M161-Q164 PolarHBondContact O-N 2.86Å; M161-T165 PolarHBondContact O-OG1 2.86Å |
| 162 | K | 75.3 | Confident | 72.7 | Confident | 121 Ų | 121 | 74.5 Ų | 74.5 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 176 | -73.8 | 177.8 | 179.4 | -163.7 | 0 | 112 | K158 R159 Q164 T165 Y166 | K158-K162 WeakPolarHBondContact O-CB 3.25Å; K158-K162 VanDerWaalsContact O-CG 3.25Å; K158-K162 WeakPolarHBondContact O-CG 3.46Å; K158-K162 PolarHBondContact O-N 3.38Å; R159-K162 PolarHBondContact O-N 3.04Å; K162-Q164 VanDerWaalsContact C-N 3.27Å; K162-Q164 PolarHBondContact O-N 3.09Å; K162-T165 PolarHBondContact O-N 3.15Å; K162-T165 VanDerWaalsContact O-N 3.12Å; K162-Y166 VanDerWaalsContact O-CD2 3.29Å; K162-Y166 WeakPolarHBondContact O-CD2 3.39Å; K162-Y166 WeakPolarHBondContact O-CE2 3.5Å |
| 163 | T | 65.6 | Low | 70.5 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.6 | -30.1 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | R159 R160 M161 T165 | R159-T163 PolarHBondContact O-N 3.4Å; R159-T163 PolarHBondContact O-OG1 3.29Å; R159-T163 VanDerWaalsContact O-OG1 3.05Å; R160-T163 PolarHBondContact O-N 3.44Å; M161-T163 VanDerWaalsContact C-N 3.31Å; M161-T163 PolarHBondContact O-N 2.97Å; T163-T165 PolarHBondContact O-N 3.25Å |
| 164 | Q | 62.2 | Low | 68.2 | Low | 110 Ų | 110 | 88.1 Ų | 88.1 | 51% | 0.514 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -20 | 173.8 | -82.6 | -177.3 | -2.2 | 0 | 0 | 113.9 | T67 R160 M161 K162 | T67-Q164 HydrophobicContact CG2-CG 4.45Å; R160-Q164 PolarHBondContact O-N 2.92Å; M161-Q164 PolarHBondContact O-N 2.86Å; K162-Q164 VanDerWaalsContact C-N 3.27Å; K162-Q164 PolarHBondContact O-N 3.09Å |
| 165 | T | 59.3 | Low | 65.8 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 66% | 0.663 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7 | -174.8 | -42.2 | 0 | 0 | 0 | 0 | 113.9 | M161 K162 T163 Q167 | M161-T165 PolarHBondContact O-OG1 2.86Å; K162-T165 PolarHBondContact O-N 3.15Å; K162-T165 VanDerWaalsContact O-N 3.12Å; T163-T165 PolarHBondContact O-N 3.25Å; T165-Q167 VanDerWaalsContact C-N 3.3Å; T165-Q167 PolarHBondContact O-N 2.65Å |
| 166 | Y | 57.8 | Low | 64.6 | Low | 169 Ų | 169 | 100.1 Ų | 100.1 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | trans | -77.1 | 84 | 176.1 | -62.9 | -87.7 | 0 | 0 | 0 | 110.4 | K162 | K162-Y166 VanDerWaalsContact O-CD2 3.29Å; K162-Y166 WeakPolarHBondContact O-CD2 3.39Å; K162-Y166 WeakPolarHBondContact O-CE2 3.5Å | ||
| 167 | Q | 53.2 | Low | 63.2 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 41% | 0.411 | 56% | 0.562 | S | S | . | * | trans | -75.1 | 116.5 | 169.8 | -65.9 | -78.7 | -29 | 0 | 0 | 108.5 | I63 T165 S169 | I63-Q167 VanDerWaalsContact CG2-NE2 3.34Å; T165-Q167 VanDerWaalsContact C-N 3.3Å; T165-Q167 PolarHBondContact O-N 2.65Å; Q167-S169 PolarHBondContact O-N 2.69Å | ||
| 168 | V | 57.7 | Low | 61.7 | Low | 90 Ų | 90 | 111.2 Ų | 111.2 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | trans | -88 | 105.3 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | T170 | V168-T170 HydrophobicContact CG1-CG2 3.98Å; V168-T170 PolarHBondContact O-N 3.03Å | ||
| 169 | S | 52.8 | Low | 60.2 | Low | 91 Ų | 91 | 112.2 Ų | 112.2 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -83.2 | 99.6 | 170.9 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | Q167 | Q167-S169 PolarHBondContact O-N 2.69Š| ||
| 170 | T | 54.4 | Low | 58.6 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 60% | 0.595 | 62% | 0.616 | S | S | * | * | trans | -88.9 | 114.8 | 167.8 | 55 | 0 | 0 | 0 | 0 | 109.3 | V168 | V168-T170 HydrophobicContact CG1-CG2 3.98Å; V168-T170 PolarHBondContact O-N 3.03Å | ||
| 171 | V | 52.8 | Low | 56.8 | Low | 119 Ų | 119 | 118 Ų | 118 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | trans | -88.2 | 111.2 | 168.7 | -161.6 | 0 | 0 | 0 | 0 | 106.6 | E173 | V171-E173 PolarHBondContact O-N 3.14Š| ||
| 172 | M | 51.9 | Low | 55.2 | Low | 179 Ų | 179 | 121.6 Ų | 121.6 | 88% | 0.882 | 67% | 0.673 | S | S | * | * | trans | -82.4 | 102.7 | 169.5 | -67.6 | -148.1 | -71.2 | 0 | 0 | 108.1 | S174 | M172-S174 PolarHBondContact O-N 2.7Š| ||
| 173 | E | 45.1 | Very low | 53.6 | Low | 175 Ų | 175 | 121.6 Ų | 121.6 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -81 | 104.5 | 171.9 | -163.8 | 118.1 | 171.7 | 0 | 0 | 108.2 | V171 | V171-E173 PolarHBondContact O-N 3.14Š| ||
| 174 | S | 45.1 | Very low | 52.6 | Low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -87.2 | 117.4 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 110 | M172 | M172-S174 PolarHBondContact O-N 2.7Š| ||
| 175 | S | 39.1 | Very low | 51.7 | Low | 190 Ų | 190 | 129.4 Ų | 129.4 | 100% | 1.329 | 74% | 0.735 | S | S | * | * | trans | -73.7 | 0 | 173.6 | -56.1 | 0 | 0 | 0 | 0 | 113.8 |
Retrieved 175 of 175 residues in 471.6 ms
(Link to these results)