| 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 | 48.6 | Very low | 48.2 | Very low | 253 Ų | 253 | 149.1 Ų | 149.1 | 100% | 1.246 | 77% | 0.766 | S | S | * | * | 0 | 78.2 | 0 | -74.1 | -177.2 | -179.7 | 0 | 0 | 110.4 | |||||
| 2 | A | 48.7 | Very low | 47.9 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -149.5 | 29.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | A | 49.8 | Very low | 47.5 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -107.2 | 44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | R | 51.8 | Low | 47.1 | Very low | 232 Ų | 232 | 144.2 Ų | 144.2 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -127.2 | -1.9 | 179.5 | -63.5 | -175.7 | 85.1 | 178.3 | 5.1 | 114.4 | ||
| 5 | S | 54.1 | Low | 46.5 | Very low | 85 Ų | 85 | 147 Ų | 147 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -97.6 | -10.3 | -176.5 | 43 | 0 | 0 | 0 | 0 | 114.8 | ||
| 6 | V | 48.1 | Very low | 46 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -89.2 | -17.7 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 7 | W | 40.9 | Very low | 45.6 | Very low | 220 Ų | 220 | 147.5 Ų | 147.5 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -16.6 | 178.4 | -112.4 | 62.6 | 0 | 0 | 0 | 114.3 | ||
| 8 | A | 49.4 | Very low | 45.1 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -28 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 9 | V | 46.7 | Very low | 44.8 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 62% | 0.624 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -27 | -177.6 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | R11 L12 | V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 3.22Å; V9-L12 PolarHBondContact O-N 3.01Å |
| 10 | R | 47.3 | Very low | 44.3 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -72.2 | -18.5 | 175.3 | -112 | 175.9 | 158.9 | 173.1 | -6.3 | 114.1 | ||
| 11 | R | 44.6 | Very low | 44.1 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -87.8 | -12.7 | 178.7 | -143.2 | 176.7 | -168.4 | -167.9 | 3.5 | 113.8 | V9 | V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 3.22Å |
| 12 | L | 44.2 | Very low | 43.4 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -89.1 | -30.1 | 178.5 | -150.8 | 79.5 | 0 | 0 | 0 | 112.1 | V9 | V9-L12 PolarHBondContact O-N 3.01Å |
| 13 | V | 43.2 | Very low | 42.7 | Very low | 98 Ų | 98 | 134 Ų | 134 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -81.9 | -23.8 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 14 | Q | 42 | Very low | 41.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -84.8 | -5.8 | 172.2 | -84.7 | 175.7 | -24.2 | 0 | 0 | 114.5 | ||
| 15 | R | 38.8 | Very low | 40.9 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -97.2 | -10.1 | 175 | -82.4 | -177.7 | 169.7 | -176.1 | -4.5 | 114.2 | ||
| 16 | L | 37.7 | Very low | 39.9 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -94.6 | -5.1 | 176.6 | -84.4 | 156.3 | 0 | 0 | 0 | 113.9 | ||
| 17 | L | 39.1 | Very low | 39 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -108.3 | 8.1 | 175.7 | -78.5 | 164 | 0 | 0 | 0 | 113.9 | ||
| 18 | A | 37.1 | Very low | 38.5 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -127.5 | 33.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 19 | S | 38.4 | Very low | 37.8 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -140.3 | 50.3 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 20 | S | 36.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -140.9 | 38.3 | 168.6 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | A | 38.5 | Very low | 37.5 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -131.9 | 85.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 22 | A | 35.1 | Very low | 36.9 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 166.5 | 95 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 23 | S | 34 | Very low | 36.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -159.4 | 97.7 | 137.8 | 59.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 24 | E | 32.4 | Very low | 36.5 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | -72 | 143.6 | 157.2 | -74.8 | 160.7 | 130 | 0 | 0 | 109.3 | ||||
| 25 | G | 30.9 | Very low | 36.5 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 150 | 106.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 26 | R | 33.8 | Very low | 36.5 | Very low | 258 Ų | 258 | 136.4 Ų | 136.4 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | 84.9 | 125.6 | 158.5 | -60.5 | 179.5 | -96.3 | -105.6 | 1.9 | 115.4 | ||||
| 27 | G | 28.7 | Very low | 36.7 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | 176.3 | 145 | 6.4 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 28 | W | 30.5 | Very low | 36.6 | Very low | 230 Ų | 230 | 142.2 Ų | 142.2 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | -148.4 | 132.8 | 64.3 | -75.7 | -9.2 | 0 | 0 | 0 | 110.2 | |||||
| 29 | L | 34.3 | Very low | 36.6 | Very low | 165 Ų | 165 | 145 Ų | 145 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -100.4 | 118.5 | 160.7 | -68.4 | 168 | 0 | 0 | 0 | 106.4 | P31 | L29-P31 WeakPolarHBondContact O-CD 3.45Š| ||
| 30 | H | 43.4 | Very low | 36.5 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 82% | 0.819 | 83% | 0.827 | S | S | * | * | trans | -91.4 | 111.3 | 151.4 | -80.8 | -69.1 | 0 | 0 | 0 | 107.7 | ||||
| 31 | P | 44.4 | Very low | 36.4 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 58% | 0.578 | 82% | 0.817 | S | S | * | * | trans | -120.2 | 157.9 | 149.1 | 33.5 | -19.8 | 0 | 0 | 0 | 110 | L29 | L29-P31 WeakPolarHBondContact O-CD 3.45Š| ||
| 32 | F | 31 | Very low | 36.3 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 86.3 | 97.8 | 176.4 | -62.3 | -84.2 | 0 | 0 | 0 | 116.6 | ||||
| 33 | S | 36 | Very low | 36.5 | Very low | 123 Ų | 123 | 149 Ų | 149 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | -151.3 | 78 | 122.3 | -148.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 34 | T | 44.2 | Very low | 36.6 | Very low | 131 Ų | 131 | 149 Ų | 149 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -101.8 | 99.4 | 155.4 | 14.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 35 | A | 40.8 | Very low | 36.9 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -134 | 93.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q37 | A35-Q37 PolarHBondContact O-N 2.93Š| ||
| 36 | T | 39.8 | Very low | 37.4 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -66.2 | 115.7 | 159.8 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 37 | Q | 42.9 | Very low | 37.7 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -130 | 109.8 | 154.9 | -110.4 | 176.2 | -0.3 | 0 | 0 | 108.2 | A35 | A35-Q37 PolarHBondContact O-N 2.93Š| ||
| 38 | R | 36.5 | Very low | 38.5 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -79.8 | 129.1 | 162.5 | -76.1 | 178 | 172.8 | 160.8 | -2.9 | 107.7 | ||||
| 39 | T | 37 | Very low | 39.4 | Very low | 145 Ų | 145 | 141 Ų | 141 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -140.9 | 138.3 | 140.7 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 40 | A | 35.4 | Very low | 40 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -79.9 | 149.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 41 | G | 35.5 | Very low | 40.1 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | 74.2 | 110.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 42 | E | 35.3 | Very low | 40.5 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | -169.3 | 127.4 | 121.4 | -103 | 152.4 | 166 | 0 | 0 | 110.7 | |||||
| 43 | D | 40.3 | Very low | 41.7 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -62.6 | 130.2 | 174.5 | -64.7 | -56.5 | 0 | 0 | 0 | 110.7 | ||||
| 44 | C | 34.7 | Very low | 42.8 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -150.7 | 100.1 | 155.8 | -94.1 | 0 | 0 | 0 | 0 | 108.8 | S46 | C44-S46 PolarHBondContact O-N 3.23Š| ||
| 45 | S | 39.3 | Very low | 43.6 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -58.7 | 115.5 | 163.5 | -50.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 46 | S | 40.6 | Very low | 45.2 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | -129 | 101.5 | 151.4 | 55.5 | 0 | 0 | 0 | 0 | 106.8 | C44 D48 | C44-S46 PolarHBondContact O-N 3.23Å; S46-D48 PolarHBondContact O-N 2.8Å | ||
| 47 | E | 40.1 | Very low | 46.9 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -63.2 | 100.1 | 165.4 | -64.3 | -165.5 | 153 | 0 | 0 | 107.9 | ||||
| 48 | D | 45.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -77.8 | 129.2 | 163.5 | -71.5 | -39.4 | 0 | 0 | 0 | 108.1 | S46 | S46-D48 PolarHBondContact O-N 2.8Š| ||
| 49 | P | 50.7 | Low | 50.8 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | trans | -66.5 | 155 | -179.5 | 29.9 | -34.1 | 0 | 0 | 0 | 110.1 | D51 | P49-D51 PolarHBondContact O-N 2.96Š| ||
| 50 | P | 46.2 | Very low | 53.1 | Low | 126 Ų | 126 | 115.6 Ų | 115.6 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -67 | 107.3 | 175.4 | 28.3 | -31.7 | 0 | 0 | 0 | 108.7 | D52 | P50-D52 PolarHBondContact O-N 3.3Š| ||
| 51 | D | 45.2 | Very low | 55.5 | Low | 138 Ų | 138 | 112.7 Ų | 112.7 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | trans | -64 | 83.6 | 160.8 | -100.7 | -19.2 | 0 | 0 | 0 | 108 | P49 L53 | P49-D51 PolarHBondContact O-N 2.96Å; D51-L53 PolarHBondContact O-N 3.06Å | ||
| 52 | D | 53.6 | Low | 58.1 | Low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 66% | 0.657 | S | S | * | * | trans | -73.7 | 56.3 | 159.2 | -170.9 | 31.7 | 0 | 0 | 0 | 109.2 | P50 G54 | P50-D52 PolarHBondContact O-N 3.3Å; D52-G54 VanDerWaalsContact C-N 3.32Å; D52-G54 PolarHBondContact O-N 3.5Å | ||
| 53 | L | 55 | Low | 60.7 | Low | 138 Ų | 138 | 111.6 Ų | 111.6 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | trans | -87 | 84.8 | 163.4 | -69 | 176.6 | 0 | 0 | 0 | 106.2 | D51 | D51-L53 PolarHBondContact O-N 3.06Š| ||
| 54 | G | 60.5 | Low | 63.1 | Low | 39 Ų | 39 | 109.6 Ų | 109.6 | 40% | 0.402 | 63% | 0.628 | S | S | . | * | trans | -43.2 | 146.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D52 S56 | D52-G54 VanDerWaalsContact C-N 3.32Å; D52-G54 PolarHBondContact O-N 3.5Å; G54-S56 PolarHBondContact O-N 2.95Å | ||
| 55 | P | 59.6 | Low | 65.9 | Low | 51 Ų | 51 | 109.8 Ų | 109.8 | 33% | 0.331 | 61% | 0.614 | S | S | . | * | trans | -49.1 | 128 | -159 | 9.9 | -24.9 | 0 | 0 | 0 | 111.6 | E59 R60 | P55-E59 HydrophobicContact CB-CB 4.33Å; P55-E59 WeakPolarHBondContact CB-OE2 3.05Å; P55-R60 HydrophobicContact CB-CG 4.12Å; P55-R60 HydrophobicContact CG-CG 4.19Å; P55-R60 PolarHBondContact O-NE 3.1Å | ||
| 56 | S | 75.4 | Confident | 68.4 | Low | 67 Ų | 67 | 105.9 Ų | 105.9 | 47% | 0.469 | 59% | 0.59 | S | S | . | * | trans | -46 | 142.5 | 180 | 162.7 | 0 | 0 | 0 | 0 | 110.2 | G54 A58 E59 R60 | G54-S56 PolarHBondContact O-N 2.95Å; S56-A58 PolarHBondContact O-N 3.3Å; S56-A58 PolarHBondContact OG-N 2.98Å; S56-E59 WeakPolarHBondContact O-CA 3.17Å; S56-E59 WeakPolarHBondContact O-CB 3.18Å; S56-E59 PolarHBondContact O-N 2.84Å; S56-R60 PolarHBondContact O-N 2.91Å; S56-R60 VanDerWaalsContact O-N 3.09Å | ||
| 57 | L | 75.8 | Confident | 71 | Confident | 142 Ų | 142 | 104.6 Ų | 104.6 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -51.6 | -30.7 | 179.5 | -67.1 | 175.5 | 0 | 0 | 0 | 112 | A61 | L57-A61 WeakPolarHBondContact O-CB 3.49Å; L57-A61 PolarHBondContact O-N 3.28Å |
| 58 | A | 80.3 | Confident | 73.6 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.5 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S56 A61 L62 | S56-A58 PolarHBondContact O-N 3.3Å; S56-A58 PolarHBondContact OG-N 2.98Å; A58-A61 PolarHBondContact O-N 2.91Å; A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.44Å; A58-L62 PolarHBondContact O-N 3.23Å |
| 59 | E | 81.1 | Confident | 75.9 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 46% | 0.458 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -38.9 | 177.5 | -65.1 | 177 | -175.3 | 0 | 0 | 112 | P55 S56 L62 K63 | P55-E59 HydrophobicContact CB-CB 4.33Å; P55-E59 WeakPolarHBondContact CB-OE2 3.05Å; S56-E59 WeakPolarHBondContact O-CA 3.17Å; S56-E59 WeakPolarHBondContact O-CB 3.18Å; S56-E59 PolarHBondContact O-N 2.84Å; E59-L62 PolarHBondContact O-N 3.32Å; E59-K63 WeakPolarHBondContact O-CB 3.09Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.45Å; E59-K63 PolarHBondContact O-N 2.93Å |
| 60 | R | 83.8 | Confident | 78 | Confident | 123 Ų | 123 | 101 Ų | 101 | 46% | 0.464 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174 | -64.8 | 179 | -172.6 | 177.9 | -2.1 | 110.9 | P55 S56 K63 L64 | P55-R60 HydrophobicContact CB-CG 4.12Å; P55-R60 HydrophobicContact CG-CG 4.19Å; P55-R60 PolarHBondContact O-NE 3.1Å; S56-R60 PolarHBondContact O-N 2.91Å; S56-R60 VanDerWaalsContact O-N 3.09Å; R60-K63 PolarHBondContact O-N 3.39Å; R60-L64 VanDerWaalsContact O-CG 3.3Å; R60-L64 WeakPolarHBondContact O-CG 3.33Å; R60-L64 PolarHBondContact O-N 3.37Å |
| 61 | A | 86.9 | Confident | 80.4 | Confident | 43 Ų | 43 | 100.9 Ų | 100.9 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L57 A58 L64 K65 | L57-A61 WeakPolarHBondContact O-CB 3.49Å; L57-A61 PolarHBondContact O-N 3.28Å; A58-A61 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 2.86Å; A61-K65 WeakPolarHBondContact O-CG 3.38Å; A61-K65 PolarHBondContact O-N 2.9Å; A61-K65 VanDerWaalsContact O-N 3.08Å |
| 62 | L | 88.9 | Confident | 82.8 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 175.1 | -72 | 172.8 | 0 | 0 | 0 | 111.9 | A58 E59 L64 K65 A66 | A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.44Å; A58-L62 PolarHBondContact O-N 3.23Å; E59-L62 PolarHBondContact O-N 3.32Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.63Å; L62-K65 PolarHBondContact O-N 2.79Å; L62-K65 VanDerWaalsContact O-N 3.16Å; L62-A66 PolarHBondContact O-N 3.42Å |
| 63 | K | 90.4 | Very high | 84.8 | Confident | 124 Ų | 124 | 96.5 Ų | 96.5 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.9 | -72.9 | 170.7 | -177.1 | 174.2 | 0 | 111.8 | E59 R60 K65 A66 V67 | E59-K63 WeakPolarHBondContact O-CB 3.09Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.45Å; E59-K63 PolarHBondContact O-N 2.93Å; R60-K63 PolarHBondContact O-N 3.39Å; K63-K65 PolarHBondContact O-N 3.06Å; K63-A66 PolarHBondContact O-N 2.93Å; K63-V67 WeakPolarHBondContact O-CG2 3.06Å; K63-V67 PolarHBondContact O-N 2.97Å |
| 64 | L | 91.4 | Very high | 86.8 | Confident | 116 Ų | 116 | 95.7 Ų | 95.7 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -37.4 | 175.4 | -71.9 | 172.6 | 0 | 0 | 0 | 112.8 | R60 A61 L62 K68 | R60-L64 VanDerWaalsContact O-CG 3.3Å; R60-L64 WeakPolarHBondContact O-CG 3.33Å; R60-L64 PolarHBondContact O-N 3.37Å; A61-L64 PolarHBondContact O-N 2.86Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.63Å; L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 3.02Å |
| 65 | K | 92.6 | Very high | 88.5 | Confident | 130 Ų | 130 | 97.5 Ų | 97.5 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.5 | -42 | 174.7 | -72.5 | 175.6 | -177.5 | -179.7 | 0 | 111.7 | A61 L62 K63 K68 L69 | A61-K65 WeakPolarHBondContact O-CG 3.38Å; A61-K65 PolarHBondContact O-N 2.9Å; A61-K65 VanDerWaalsContact O-N 3.08Å; L62-K65 PolarHBondContact O-N 2.79Å; L62-K65 VanDerWaalsContact O-N 3.16Å; K63-K65 PolarHBondContact O-N 3.06Å; K65-K68 PolarHBondContact O-N 3.44Å; K65-L69 WeakPolarHBondContact O-CG 3.1Å; K65-L69 PolarHBondContact O-N 3.45Å |
| 66 | A | 92.7 | Very high | 90.3 | Very high | 42 Ų | 42 | 100.4 Ų | 100.4 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L62 K63 K68 L69 E70 | L62-A66 PolarHBondContact O-N 3.42Å; K63-A66 PolarHBondContact O-N 2.93Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 3.11Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.42Å; A66-E70 PolarHBondContact O-N 2.92Å |
| 67 | V | 94.7 | Very high | 91.3 | Very high | 66 Ų | 66 | 100.4 Ų | 100.4 | 40% | 0.4 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | K63 K71 | K63-V67 WeakPolarHBondContact O-CG2 3.06Å; K63-V67 PolarHBondContact O-N 2.97Å; V67-K71 HydrophobicContact CG1-CD 4.41Å; V67-K71 VanDerWaalsContact O-CG 3.29Å; V67-K71 WeakPolarHBondContact O-CG 3.38Å; V67-K71 PolarHBondContact O-N 2.71Å; V67-K71 VanDerWaalsContact O-N 3.17Å |
| 68 | K | 94.8 | Very high | 92.3 | Very high | 136 Ų | 136 | 98.8 Ų | 98.8 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -47.5 | 175.4 | -75 | 176.1 | -178.7 | -173.6 | 0 | 111.6 | L64 K65 A66 E70 K71 E72 | L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 3.02Å; K65-K68 PolarHBondContact O-N 3.44Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 3.39Å; K68-E70 VanDerWaalsContact C-N 3.35Å; K68-E70 PolarHBondContact O-N 3.35Å; K68-K71 PolarHBondContact O-N 3.2Å; K68-E72 WeakPolarHBondContact O-CG 3.33Å; K68-E72 PolarHBondContact O-N 2.65Å |
| 69 | L | 94.7 | Very high | 93.1 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 178.5 | -70.1 | 171.2 | 0 | 0 | 0 | 111.8 | K65 A66 K71 E72 V73 | K65-L69 WeakPolarHBondContact O-CG 3.1Å; K65-L69 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 3.11Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.45Å; L69-E72 PolarHBondContact O-N 2.85Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.3Å |
| 70 | E | 95.1 | Very high | 93.8 | Very high | 113 Ų | 113 | 107.4 Ų | 107.4 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 174.8 | -75.3 | 170 | -174.3 | 0 | 0 | 111.8 | A66 K68 V73 Q74 | A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.42Å; A66-E70 PolarHBondContact O-N 2.92Å; K68-E70 VanDerWaalsContact C-N 3.35Å; K68-E70 PolarHBondContact O-N 3.35Å; E70-V73 PolarHBondContact O-N 2.85Å; E70-Q74 WeakPolarHBondContact O-CB 3.4Å; E70-Q74 VanDerWaalsContact O-CG 3.26Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 3.25Å |
| 71 | K | 96.1 | Very high | 94.5 | Very high | 125 Ų | 125 | 108 Ų | 108 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 174.7 | -73 | 174.3 | -178.7 | -175.5 | 0 | 112 | V67 K68 L69 V73 Q74 D75 | V67-K71 HydrophobicContact CG1-CD 4.41Å; V67-K71 VanDerWaalsContact O-CG 3.29Å; V67-K71 WeakPolarHBondContact O-CG 3.38Å; V67-K71 PolarHBondContact O-N 2.71Å; V67-K71 VanDerWaalsContact O-N 3.17Å; K68-K71 PolarHBondContact O-N 3.2Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.45Å; K71-V73 VanDerWaalsContact C-N 3.33Å; K71-V73 PolarHBondContact O-N 2.92Å; K71-Q74 PolarHBondContact O-N 3.04Å; K71-D75 PolarHBondContact O-N 3.2Å |
| 72 | E | 95.4 | Very high | 94.9 | Very high | 109 Ų | 109 | 113.7 Ų | 113.7 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.5 | -72.1 | 172.7 | -167.2 | 0 | 0 | 111.7 | K68 L69 D75 L76 | K68-E72 WeakPolarHBondContact O-CG 3.33Å; K68-E72 PolarHBondContact O-N 2.65Å; L69-E72 PolarHBondContact O-N 2.85Å; E72-D75 PolarHBondContact O-N 3.46Å; E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 2.85Å |
| 73 | V | 96.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 111.1 Ų | 111.1 | 53% | 0.527 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111 | L69 E70 K71 L76 T77 | L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.3Å; E70-V73 PolarHBondContact O-N 2.85Å; K71-V73 VanDerWaalsContact C-N 3.33Å; K71-V73 PolarHBondContact O-N 2.92Å; V73-L76 PolarHBondContact O-N 2.68Å; V73-T77 HydrophobicContact CG1-CG2 4.25Å; V73-T77 WeakPolarHBondContact O-CB 3.09Å; V73-T77 VanDerWaalsContact O-CG2 3.23Å; V73-T77 WeakPolarHBondContact O-CG2 3.27Å; V73-T77 PolarHBondContact O-N 3.01Å; V73-T77 PolarHBondContact O-OG1 3.39Å |
| 74 | Q | 96.2 | Very high | 95.7 | Very high | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 175.6 | -73.9 | 173.4 | 16.5 | 0 | 0 | 111.7 | E70 K71 T77 M78 | E70-Q74 WeakPolarHBondContact O-CB 3.4Å; E70-Q74 VanDerWaalsContact O-CG 3.26Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 3.25Å; K71-Q74 PolarHBondContact O-N 3.04Å; Q74-T77 WeakPolarHBondContact CA-OG1 3.49Å; Q74-T77 PolarHBondContact O-N 3.43Å; Q74-T77 PolarHBondContact O-OG1 3.43Å; Q74-M78 WeakPolarHBondContact O-CB 3.44Å; Q74-M78 PolarHBondContact O-N 3.14Å |
| 75 | D | 96.4 | Very high | 96 | Very high | 78 Ų | 78 | 104.4 Ų | 104.4 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 177.3 | -76.7 | -14 | 0 | 0 | 0 | 111.8 | K71 E72 M78 R79 | K71-D75 PolarHBondContact O-N 3.2Å; E72-D75 PolarHBondContact O-N 3.46Å; D75-M78 PolarHBondContact O-N 3.03Å; D75-R79 WeakPolarHBondContact O-CB 3.42Å; D75-R79 VanDerWaalsContact O-CG 3.23Å; D75-R79 WeakPolarHBondContact O-CG 3.34Å; D75-R79 PolarHBondContact O-N 3.43Å |
| 76 | L | 96.9 | Very high | 96.2 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 178.2 | -71.9 | 175.3 | 0 | 0 | 0 | 111.9 | E72 V73 R79 Y80 | E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 2.85Å; V73-L76 PolarHBondContact O-N 2.68Å; L76-R79 PolarHBondContact O-N 3.42Å; L76-Y80 VanDerWaalsContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CB 3.1Å; L76-Y80 PolarHBondContact O-N 3.42Å |
| 77 | T | 96.9 | Very high | 96.5 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.5 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | V73 Q74 Y80 Q81 | V73-T77 HydrophobicContact CG1-CG2 4.25Å; V73-T77 WeakPolarHBondContact O-CB 3.09Å; V73-T77 VanDerWaalsContact O-CG2 3.23Å; V73-T77 WeakPolarHBondContact O-CG2 3.27Å; V73-T77 PolarHBondContact O-N 3.01Å; V73-T77 PolarHBondContact O-OG1 3.39Å; Q74-T77 WeakPolarHBondContact CA-OG1 3.49Å; Q74-T77 PolarHBondContact O-N 3.43Å; Q74-T77 PolarHBondContact O-OG1 3.43Å; T77-Y80 PolarHBondContact O-N 3.44Å; T77-Q81 WeakPolarHBondContact O-CB 3.49Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.4Å; T77-Q81 PolarHBondContact O-N 3.41Å |
| 78 | M | 96.6 | Very high | 96.6 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 173.9 | -171.4 | -169.5 | -54 | 0 | 0 | 111.9 | Q74 D75 Y80 Q81 R82 | Q74-M78 WeakPolarHBondContact O-CB 3.44Å; Q74-M78 PolarHBondContact O-N 3.14Å; D75-M78 PolarHBondContact O-N 3.03Å; M78-Y80 VanDerWaalsContact C-N 3.33Å; M78-Y80 PolarHBondContact O-N 2.91Å; M78-Q81 PolarHBondContact O-N 3.03Å; M78-R82 WeakPolarHBondContact O-CB 3.47Å; M78-R82 PolarHBondContact O-N 3.43Å |
| 79 | R | 96.5 | Very high | 96.8 | Very high | 170 Ų | 170 | 101.6 Ų | 101.6 | 64% | 0.642 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 176.2 | -72.1 | 173.4 | -166.6 | -167.6 | 6.4 | 111.6 | D75 L76 R82 A83 | D75-R79 WeakPolarHBondContact O-CB 3.42Å; D75-R79 VanDerWaalsContact O-CG 3.23Å; D75-R79 WeakPolarHBondContact O-CG 3.34Å; D75-R79 PolarHBondContact O-N 3.43Å; L76-R79 PolarHBondContact O-N 3.42Å; R79-R82 PolarHBondContact O-N 3.02Å; R79-A83 WeakPolarHBondContact O-CB 2.84Å; R79-A83 PolarHBondContact O-N 3.46Å |
| 80 | Y | 97.6 | Very high | 96.9 | Very high | 167 Ų | 167 | 101.6 Ų | 101.6 | 66% | 0.655 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -48.8 | 177.9 | 177.2 | -101.2 | 0 | 0 | 0 | 111.6 | L76 T77 M78 R82 A83 V84 | L76-Y80 VanDerWaalsContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CB 3.1Å; L76-Y80 PolarHBondContact O-N 3.42Å; T77-Y80 PolarHBondContact O-N 3.44Å; M78-Y80 VanDerWaalsContact C-N 3.33Å; M78-Y80 PolarHBondContact O-N 2.91Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 3.26Å; Y80-A83 PolarHBondContact O-N 2.89Å; Y80-A83 VanDerWaalsContact O-N 3.12Å; Y80-V84 HydrophobicContact CD1-CG2 4.22Å; Y80-V84 HydrophobicContact CD2-CG2 4.42Å; Y80-V84 HydrophobicContact CE1-CG2 3.77Å; Y80-V84 HydrophobicContact CE2-CG2 3.99Å; Y80-V84 WeakPolarHBondContact O-CG2 3.35Å; Y80-V84 PolarHBondContact O-N 3.35Å |
| 81 | Q | 96.6 | Very high | 97 | Very high | 135 Ų | 135 | 105.5 Ų | 105.5 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -41.6 | 177.3 | -73.9 | 175.7 | 1.1 | 0 | 0 | 111.7 | T77 M78 V84 A85 | T77-Q81 WeakPolarHBondContact O-CB 3.49Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.4Å; T77-Q81 PolarHBondContact O-N 3.41Å; M78-Q81 PolarHBondContact O-N 3.03Å; Q81-V84 PolarHBondContact O-N 2.91Å; Q81-A85 WeakPolarHBondContact O-CB 3.19Å; Q81-A85 PolarHBondContact O-N 2.9Å |
| 82 | R | 97.1 | Very high | 97.1 | Very high | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 173.2 | -176.7 | 177.9 | -68 | 171.1 | -0.4 | 111.6 | M78 R79 Y80 V84 A85 D86 | M78-R82 WeakPolarHBondContact O-CB 3.47Å; M78-R82 PolarHBondContact O-N 3.43Å; R79-R82 PolarHBondContact O-N 3.02Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 3.26Å; R82-V84 VanDerWaalsContact C-N 3.31Å; R82-V84 PolarHBondContact O-N 3.36Å; R82-A85 PolarHBondContact O-N 3.41Å; R82-D86 WeakPolarHBondContact O-CB 3.28Å; R82-D86 VanDerWaalsContact O-CG 3.29Å; R82-D86 PolarHBondContact O-N 2.88Å |
| 83 | A | 97.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 110 Ų | 110 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R79 Y80 G87 | R79-A83 WeakPolarHBondContact O-CB 2.84Å; R79-A83 PolarHBondContact O-N 3.46Å; Y80-A83 PolarHBondContact O-N 2.89Å; Y80-A83 VanDerWaalsContact O-N 3.12Å; A83-G87 PolarHBondContact O-N 2.95Å |
| 84 | V | 97.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 109.3 Ų | 109.3 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | Y80 Q81 R82 D86 G87 E88 | Y80-V84 HydrophobicContact CD1-CG2 4.22Å; Y80-V84 HydrophobicContact CD2-CG2 4.42Å; Y80-V84 HydrophobicContact CE1-CG2 3.77Å; Y80-V84 HydrophobicContact CE2-CG2 3.99Å; Y80-V84 WeakPolarHBondContact O-CG2 3.35Å; Y80-V84 PolarHBondContact O-N 3.35Å; Q81-V84 PolarHBondContact O-N 2.91Å; R82-V84 VanDerWaalsContact C-N 3.31Å; R82-V84 PolarHBondContact O-N 3.36Å; V84-D86 PolarHBondContact O-N 2.95Å; V84-G87 PolarHBondContact O-N 3.38Å; V84-E88 PolarHBondContact O-N 2.92Å |
| 85 | A | 97.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 108.3 Ų | 108.3 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q81 R82 E88 N89 | Q81-A85 WeakPolarHBondContact O-CB 3.19Å; Q81-A85 PolarHBondContact O-N 2.9Å; R82-A85 PolarHBondContact O-N 3.41Å; A85-E88 PolarHBondContact O-N 3.42Å; A85-N89 WeakPolarHBondContact O-CB 3.33Å; A85-N89 VanDerWaalsContact O-CG 3.28Å; A85-N89 PolarHBondContact O-N 2.93Å; A85-N89 PolarHBondContact O-ND2 3.43Å |
| 86 | D | 97.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 112.1 Ų | 112.1 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 176.3 | -69.8 | -21.9 | 0 | 0 | 0 | 111.4 | R82 V84 E88 N89 I90 | R82-D86 WeakPolarHBondContact O-CB 3.28Å; R82-D86 VanDerWaalsContact O-CG 3.29Å; R82-D86 PolarHBondContact O-N 2.88Å; V84-D86 PolarHBondContact O-N 2.95Å; D86-E88 PolarHBondContact O-N 3.07Å; D86-N89 PolarHBondContact O-N 2.96Å; D86-I90 VanDerWaalsContact O-CG1 3.28Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 3.37Å |
| 87 | G | 98.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 110 Ų | 110 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A83 V84 I90 R91 | A83-G87 PolarHBondContact O-N 2.95Å; V84-G87 PolarHBondContact O-N 3.38Å; G87-I90 PolarHBondContact O-N 2.96Å; G87-R91 WeakPolarHBondContact O-CB 3.36Å; G87-R91 PolarHBondContact O-N 3.33Å |
| 88 | E | 97.3 | Very high | 97.4 | Very high | 97 Ų | 97 | 110.2 Ų | 110.2 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 174.6 | -73.7 | -169.1 | -163.3 | 0 | 0 | 112.5 | V84 A85 D86 R91 R92 | V84-E88 PolarHBondContact O-N 2.92Å; A85-E88 PolarHBondContact O-N 3.42Å; D86-E88 PolarHBondContact O-N 3.07Å; E88-R91 PolarHBondContact O-N 2.6Å; E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.26Å; E88-R92 IonicContact OE2-NH2 3.35Å; E88-R92 PolarHBondContact OE2-NH2 3.41Å |
| 89 | N | 97.8 | Very high | 97.3 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177 | -75.1 | -27.8 | 0 | 0 | 0 | 111.5 | A85 D86 R92 R93 | A85-N89 WeakPolarHBondContact O-CB 3.33Å; A85-N89 VanDerWaalsContact O-CG 3.28Å; A85-N89 PolarHBondContact O-N 2.93Å; A85-N89 PolarHBondContact O-ND2 3.43Å; D86-N89 PolarHBondContact O-N 2.96Å; N89-R92 PolarHBondContact O-N 2.57Å; N89-R93 VanDerWaalsContact O-CB 3.3Å; N89-R93 WeakPolarHBondContact O-CB 3.49Å; N89-R93 PolarHBondContact O-N 2.86Å |
| 90 | I | 98.1 | Very high | 97.3 | Very high | 106 Ų | 106 | 104.9 Ų | 104.9 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.4 | -68.3 | 165.2 | 0 | 0 | 0 | 110.3 | D86 G87 R92 R93 T94 | D86-I90 VanDerWaalsContact O-CG1 3.28Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 3.37Å; G87-I90 PolarHBondContact O-N 2.96Å; I90-R92 PolarHBondContact O-N 3.25Å; I90-R93 PolarHBondContact O-N 3.01Å; I90-T94 HydrophobicContact CG2-CG2 4.02Å; I90-T94 WeakPolarHBondContact O-CB 3.35Å; I90-T94 VanDerWaalsContact O-CG2 3.29Å; I90-T94 WeakPolarHBondContact O-CG2 3.42Å; I90-T94 PolarHBondContact O-N 3.12Å; I90-T94 PolarHBondContact O-OG1 3.18Å |
| 91 | R | 97.8 | Very high | 97.3 | Very high | 195 Ų | 195 | 100 Ų | 100 | 74% | 0.736 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -46.7 | 177.6 | -176.4 | 178.7 | 175.3 | 140.6 | 0.2 | 111.9 | G87 E88 T94 Q95 | G87-R91 WeakPolarHBondContact O-CB 3.36Å; G87-R91 PolarHBondContact O-N 3.33Å; E88-R91 PolarHBondContact O-N 2.6Å; R91-T94 WeakPolarHBondContact CA-OG1 3.44Å; R91-T94 PolarHBondContact O-OG1 2.84Å; R91-Q95 VanDerWaalsContact O-CB 3.31Å; R91-Q95 WeakPolarHBondContact O-CB 3.43Å; R91-Q95 PolarHBondContact O-N 3.34Å |
| 92 | R | 97.5 | Very high | 97.1 | Very high | 144 Ų | 144 | 100.8 Ų | 100.8 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.9 | -70.2 | 177.7 | -169 | -175.7 | 8.6 | 111.6 | E88 N89 I90 R96 | E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.26Å; E88-R92 IonicContact OE2-NH2 3.35Å; E88-R92 PolarHBondContact OE2-NH2 3.41Å; N89-R92 PolarHBondContact O-N 2.57Å; I90-R92 PolarHBondContact O-N 3.25Å; R92-R96 WeakPolarHBondContact O-CG 3.23Å; R92-R96 PolarHBondContact O-N 3.42Å |
| 93 | R | 97.3 | Very high | 96.9 | Very high | 185 Ų | 185 | 98.2 Ų | 98.2 | 70% | 0.698 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -47.2 | 178 | -176.3 | 177.3 | -180 | 172.7 | 0.6 | 112.1 | N89 I90 Q95 R96 C97 | N89-R93 VanDerWaalsContact O-CB 3.3Å; N89-R93 WeakPolarHBondContact O-CB 3.49Å; N89-R93 PolarHBondContact O-N 2.86Å; I90-R93 PolarHBondContact O-N 3.01Å; R93-Q95 VanDerWaalsContact C-N 3.34Å; R93-Q95 PolarHBondContact O-N 3.18Å; R93-R96 PolarHBondContact O-N 3.02Å; R93-C97 PolarHBondContact O-N 2.81Å; R93-C97 PolarHBondContact O-SG 2.9Å |
| 94 | T | 97.8 | Very high | 96.8 | Very high | 71 Ų | 71 | 101.1 Ų | 101.1 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.9 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | I90 R91 R96 C97 V98 | I90-T94 HydrophobicContact CG2-CG2 4.02Å; I90-T94 WeakPolarHBondContact O-CB 3.35Å; I90-T94 VanDerWaalsContact O-CG2 3.29Å; I90-T94 WeakPolarHBondContact O-CG2 3.42Å; I90-T94 PolarHBondContact O-N 3.12Å; I90-T94 PolarHBondContact O-OG1 3.18Å; R91-T94 WeakPolarHBondContact CA-OG1 3.44Å; R91-T94 PolarHBondContact O-OG1 2.84Å; T94-R96 VanDerWaalsContact C-N 3.34Å; T94-R96 PolarHBondContact O-N 2.89Å; T94-C97 PolarHBondContact O-N 3.43Å; T94-V98 WeakPolarHBondContact O-CG2 3.18Å; T94-V98 PolarHBondContact O-N 3.18Å |
| 95 | Q | 97.1 | Very high | 96.5 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 174.4 | -175.6 | 63.6 | 24.6 | 0 | 0 | 111.7 | R91 R93 V98 E99 | R91-Q95 VanDerWaalsContact O-CB 3.31Å; R91-Q95 WeakPolarHBondContact O-CB 3.43Å; R91-Q95 PolarHBondContact O-N 3.34Å; R93-Q95 VanDerWaalsContact C-N 3.34Å; R93-Q95 PolarHBondContact O-N 3.18Å; Q95-V98 PolarHBondContact O-N 2.88Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.3Å; Q95-E99 PolarHBondContact NE2-OE1 3Å; Q95-E99 WeakPolarHBondContact O-CG 3.27Å; Q95-E99 PolarHBondContact O-N 2.88Å |
| 96 | R | 97 | Very high | 96.4 | Very high | 159 Ų | 159 | 103.7 Ų | 103.7 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 174.6 | -67.3 | 174.6 | -165.5 | 162.4 | 2.3 | 111.8 | R92 R93 T94 V98 E99 D100 | R92-R96 WeakPolarHBondContact O-CG 3.23Å; R92-R96 PolarHBondContact O-N 3.42Å; R93-R96 PolarHBondContact O-N 3.02Å; T94-R96 VanDerWaalsContact C-N 3.34Å; T94-R96 PolarHBondContact O-N 2.89Å; R96-V98 VanDerWaalsContact C-N 3.27Å; R96-V98 PolarHBondContact O-N 2.95Å; R96-E99 PolarHBondContact O-N 3.15Å; R96-E99 VanDerWaalsContact O-N 3.14Å; R96-D100 WeakPolarHBondContact O-CB 3.32Å; R96-D100 PolarHBondContact O-N 2.82Å |
| 97 | C | 96.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 104.3 Ų | 104.3 | 46% | 0.459 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 177.2 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | R93 T94 A101 | R93-C97 PolarHBondContact O-N 2.81Å; R93-C97 PolarHBondContact O-SG 2.9Å; T94-C97 PolarHBondContact O-N 3.43Å; C97-A101 WeakPolarHBondContact O-CB 3.3Å; C97-A101 PolarHBondContact O-N 2.78Å |
| 98 | V | 97.5 | Very high | 95.9 | Very high | 69 Ų | 69 | 105.5 Ų | 105.5 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.3 | -40 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | T94 Q95 R96 A101 K102 | T94-V98 WeakPolarHBondContact O-CG2 3.18Å; T94-V98 PolarHBondContact O-N 3.18Å; Q95-V98 PolarHBondContact O-N 2.88Å; R96-V98 VanDerWaalsContact C-N 3.27Å; R96-V98 PolarHBondContact O-N 2.95Å; V98-A101 PolarHBondContact O-N 3.44Å; V98-K102 HydrophobicContact CG1-CD 4.35Å; V98-K102 VanDerWaalsContact O-CG 3.26Å; V98-K102 WeakPolarHBondContact O-CG 3.4Å; V98-K102 PolarHBondContact O-N 3.4Å |
| 99 | E | 96.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 103.8 Ų | 103.8 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 174.6 | -72.6 | 164.7 | -169.9 | 0 | 0 | 111 | Q95 R96 A101 K102 I103 | Q95-E99 WeakPolarHBondContact CG-OE1 3.3Å; Q95-E99 PolarHBondContact NE2-OE1 3Å; Q95-E99 WeakPolarHBondContact O-CG 3.27Å; Q95-E99 PolarHBondContact O-N 2.88Å; R96-E99 PolarHBondContact O-N 3.15Å; R96-E99 VanDerWaalsContact O-N 3.14Å; E99-A101 PolarHBondContact O-N 3.45Å; E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-K102 VanDerWaalsContact O-N 3.15Å; E99-I103 WeakPolarHBondContact O-CG1 3.41Å; E99-I103 PolarHBondContact O-N 3.26Å |
| 100 | D | 96.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 101.9 Ų | 101.9 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.3 | -67.1 | -24.2 | 0 | 0 | 0 | 111.1 | R96 K102 I103 F104 | R96-D100 WeakPolarHBondContact O-CB 3.32Å; R96-D100 PolarHBondContact O-N 2.82Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 PolarHBondContact O-N 3.24Å; D100-I103 PolarHBondContact O-N 3.29Å; D100-F104 HydrophobicContact CB-CD2 4.16Å; D100-F104 WeakPolarHBondContact O-CB 3.26Å; D100-F104 VanDerWaalsContact O-CD2 3.27Å; D100-F104 WeakPolarHBondContact O-CD2 3.47Å; D100-F104 PolarHBondContact O-N 3.18Å |
| 101 | A | 96.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 102.9 Ų | 102.9 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C97 V98 E99 G105 | C97-A101 WeakPolarHBondContact O-CB 3.3Å; C97-A101 PolarHBondContact O-N 2.78Å; V98-A101 PolarHBondContact O-N 3.44Å; E99-A101 PolarHBondContact O-N 3.45Å; A101-G105 WeakPolarHBondContact O-CA 3.44Å; A101-G105 PolarHBondContact O-N 3.25Å |
| 102 | K | 93.4 | Very high | 95.2 | Very high | 153 Ų | 153 | 95.2 Ų | 95.2 | 67% | 0.665 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.2 | -42.7 | 174.2 | -74.2 | 168.9 | -178.9 | 178.1 | 0 | 111.9 | V98 E99 D100 | V98-K102 HydrophobicContact CG1-CD 4.35Å; V98-K102 VanDerWaalsContact O-CG 3.26Å; V98-K102 WeakPolarHBondContact O-CG 3.4Å; V98-K102 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-K102 VanDerWaalsContact O-N 3.15Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 PolarHBondContact O-N 3.24Å |
| 103 | I | 93.1 | Very high | 95.1 | Very high | 108 Ų | 108 | 91.5 Ų | 91.5 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.5 | -47.8 | -177.4 | -64.1 | 166.7 | 0 | 0 | 0 | 110.6 | E99 D100 | E99-I103 WeakPolarHBondContact O-CG1 3.41Å; E99-I103 PolarHBondContact O-N 3.26Å; D100-I103 PolarHBondContact O-N 3.29Å |
| 104 | F | 94.6 | Very high | 95 | Very high | 121 Ų | 121 | 86.6 Ų | 86.6 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -95.7 | -4.7 | -174.2 | -57.4 | -67.8 | 0 | 0 | 0 | 113.6 | D100 I106 Q107 | D100-F104 HydrophobicContact CB-CD2 4.16Å; D100-F104 WeakPolarHBondContact O-CB 3.26Å; D100-F104 VanDerWaalsContact O-CD2 3.27Å; D100-F104 WeakPolarHBondContact O-CD2 3.47Å; D100-F104 PolarHBondContact O-N 3.18Å; F104-I106 PolarHBondContact O-N 2.74Å; F104-Q107 WeakPolarHBondContact O-CB 3.41Å; F104-Q107 PolarHBondContact O-N 2.93Å |
| 105 | G | 92.7 | Very high | 94.7 | Very high | 50 Ų | 50 | 87.2 Ų | 87.2 | 52% | 0.515 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A101 Q107 | A101-G105 WeakPolarHBondContact O-CA 3.44Å; A101-G105 PolarHBondContact O-N 3.25Å; G105-Q107 VanDerWaalsContact C-N 3.33Å |
| 106 | I | 93.7 | Very high | 94.6 | Very high | 104 Ų | 104 | 82.9 Ų | 82.9 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.3 | 176.5 | 60 | 170.3 | 0 | 0 | 0 | 113.5 | F104 S108 F109 C110 | F104-I106 PolarHBondContact O-N 2.74Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.69Å; I106-F109 PolarHBondContact O-N 3.07Å; I106-F109 VanDerWaalsContact O-N 3.16Å; I106-C110 PolarHBondContact O-N 2.84Å; I106-C110 PolarHBondContact O-SG 2.65Å; I106-C110 VanDerWaalsContact O-SG 3.32Å |
| 107 | Q | 94.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 77.1 Ų | 77.1 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | -171.9 | -174.8 | -175 | 5 | 0 | 0 | 112.5 | F104 G105 C110 K111 | F104-Q107 WeakPolarHBondContact O-CB 3.41Å; F104-Q107 PolarHBondContact O-N 2.93Å; G105-Q107 VanDerWaalsContact C-N 3.33Å; Q107-C110 PolarHBondContact O-N 3.39Å; Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 3.26Å |
| 108 | S | 92.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 77.2 Ų | 77.2 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.1 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | I106 K111 D112 | I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.69Å; S108-K111 PolarHBondContact O-N 3.02Å; S108-D112 PolarHBondContact O-N 3.31Å |
| 109 | F | 93.5 | Very high | 94 | Very high | 61 Ų | 61 | 75.5 Ų | 75.5 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.8 | 176.6 | -101.7 | 0 | 0 | 0 | 112 | I106 K111 D112 L113 V157 F158 H161 | I106-F109 PolarHBondContact O-N 3.07Å; I106-F109 VanDerWaalsContact O-N 3.16Å; F109-K111 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.22Å; F109-D112 PolarHBondContact O-N 3.15Å; F109-L113 HydrophobicContact CE1-CD2 4.18Å; F109-L113 HydrophobicContact CZ-CD2 4.47Å; F109-L113 WeakPolarHBondContact O-CB 3.22Å; F109-L113 PolarHBondContact O-N 3.01Å; F109-V157 HydrophobicContact CD2-CG1 4.26Å; F109-V157 HydrophobicContact CE2-CG1 4.12Å; F109-F158 HydrophobicContact CE2-CD1 4.31Å; F109-F158 HydrophobicContact CE2-CE1 4.37Å; F109-F158 HydrophobicContact CZ-CE1 4.37Å; F109-H161 HydrophobicContact CD2-CB 4.13Å; F109-H161 AromaticContact CD2-CD2 3.65Å; F109-H161 AromaticContact CD2-CG 3.8Å; F109-H161 PolarHBondContact N-CE1 3.46Å |
| 110 | C | 94.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 74.9 Ų | 74.9 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.2 | -66.7 | 0 | 0 | 0 | 0 | 112 | I106 Q107 D112 L113 V114 | I106-C110 PolarHBondContact O-N 2.84Å; I106-C110 PolarHBondContact O-SG 2.65Å; I106-C110 VanDerWaalsContact O-SG 3.32Å; Q107-C110 PolarHBondContact O-N 3.39Å; C110-D112 PolarHBondContact O-N 3.26Å; C110-L113 PolarHBondContact O-N 3.27Å; C110-V114 WeakPolarHBondContact O-CG2 3.45Å; C110-V114 PolarHBondContact O-N 3.16Å |
| 111 | K | 94.4 | Very high | 93.6 | Very high | 127 Ų | 127 | 76.4 Ų | 76.4 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.9 | -46.3 | 176.4 | -76 | 174.4 | 179.4 | 179.5 | 0 | 111.9 | Q107 S108 F109 L113 V114 | Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 3.26Å; S108-K111 PolarHBondContact O-N 3.02Å; F109-K111 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.22Å; K111-L113 VanDerWaalsContact C-N 3.3Å; K111-L113 PolarHBondContact O-N 2.92Å; K111-V114 PolarHBondContact O-N 3.36Å |
| 112 | D | 93.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 79 Ų | 79 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 178.8 | -72.3 | -14.1 | 0 | 0 | 0 | 112.4 | S108 F109 C110 E115 V157 H161 | S108-D112 PolarHBondContact O-N 3.31Å; F109-D112 PolarHBondContact O-N 3.15Å; C110-D112 PolarHBondContact O-N 3.26Å; D112-E115 PolarHBondContact O-N 3.35Å; D112-V157 HydrophobicContact CB-CB 4.49Å; D112-V157 HydrophobicContact CB-CG1 3.73Å; D112-V157 HydrophobicContact CB-CG2 3.93Å; D112-H161 IonicContact OD2-CD2 2.57Å; D112-H161 IonicContact OD2-CE1 2.65Å; D112-H161 IonicContact OD2-NE2 3.66Å; D112-H161 PolarHBondContact OD2-NE2 3.05Å |
| 113 | L | 94.9 | Very high | 93 | Very high | 66 Ų | 66 | 72.3 Ų | 72.3 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74.3 | -27.9 | 177.2 | -165.8 | 66 | 0 | 0 | 0 | 112.6 | F109 C110 K111 E115 V116 A117 L154 | F109-L113 HydrophobicContact CE1-CD2 4.18Å; F109-L113 HydrophobicContact CZ-CD2 4.47Å; F109-L113 WeakPolarHBondContact O-CB 3.22Å; F109-L113 PolarHBondContact O-N 3.01Å; C110-L113 PolarHBondContact O-N 3.27Å; K111-L113 VanDerWaalsContact C-N 3.3Å; K111-L113 PolarHBondContact O-N 2.92Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 PolarHBondContact O-N 3.22Å; L113-V116 HydrophobicContact CD1-CB 4.34Å; L113-V116 WeakPolarHBondContact O-CB 3.48Å; L113-V116 PolarHBondContact O-N 3.23Å; L113-V116 VanDerWaalsContact O-N 3.14Å; L113-A117 PolarHBondContact O-N 3.42Å; L113-L154 HydrophobicContact CD1-CD1 4Å |
| 114 | V | 94.8 | Very high | 92.7 | Very high | 83 Ų | 83 | 70.8 Ų | 70.8 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 172.3 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | C110 K111 V116 A117 D118 | C110-V114 WeakPolarHBondContact O-CG2 3.45Å; C110-V114 PolarHBondContact O-N 3.16Å; K111-V114 PolarHBondContact O-N 3.36Å; V114-V116 PolarHBondContact O-N 3.44Å; V114-A117 WeakPolarHBondContact O-CA 3.39Å; V114-A117 WeakPolarHBondContact O-CB 3.46Å; V114-A117 PolarHBondContact O-N 3.47Å; V114-D118 PolarHBondContact O-N 3.19Å |
| 115 | E | 92.3 | Very high | 92.3 | Very high | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -31.4 | 175.3 | -58.8 | -175.4 | 171.7 | 0 | 0 | 112.6 | D112 L113 I119 K153 | D112-E115 PolarHBondContact O-N 3.35Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 PolarHBondContact O-N 3.22Å; E115-I119 WeakPolarHBondContact O-CD1 3.45Å; E115-I119 WeakPolarHBondContact O-CG1 3.4Å; E115-I119 PolarHBondContact O-N 2.99Å; E115-K153 WeakPolarHBondContact OE2-CE 3.31Å; E115-K153 IonicContact OE2-NZ 3.52Å; E115-K153 PolarHBondContact OE2-NZ 2.98Å |
| 116 | V | 94.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | L113 V114 I119 L120 L150 K153 L154 V157 | L113-V116 HydrophobicContact CD1-CB 4.34Å; L113-V116 WeakPolarHBondContact O-CB 3.48Å; L113-V116 PolarHBondContact O-N 3.23Å; L113-V116 VanDerWaalsContact O-N 3.14Å; V114-V116 PolarHBondContact O-N 3.44Å; V116-I119 PolarHBondContact O-N 3.46Å; V116-L120 PolarHBondContact O-N 3.31Å; V116-L150 HydrophobicContact CB-CD1 4.45Å; V116-L150 HydrophobicContact CG1-CD1 3.38Å; V116-L150 HydrophobicContact CG1-CG 4.13Å; V116-L150 WeakPolarHBondContact O-CD1 3.36Å; V116-K153 HydrophobicContact CG2-CB 4.41Å; V116-K153 HydrophobicContact CG2-CG 3.77Å; V116-L154 HydrophobicContact CG1-CD1 4.39Å; V116-V157 HydrophobicContact CG2-CG2 4.26Å |
| 117 | A | 93.9 | Very high | 90.9 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L113 V114 I119 L120 E121 | L113-A117 PolarHBondContact O-N 3.42Å; V114-A117 WeakPolarHBondContact O-CA 3.39Å; V114-A117 WeakPolarHBondContact O-CB 3.46Å; V114-A117 PolarHBondContact O-N 3.47Å; A117-I119 PolarHBondContact O-N 3.19Å; A117-L120 WeakPolarHBondContact O-CA 3.34Å; A117-L120 VanDerWaalsContact O-CB 3.32Å; A117-L120 WeakPolarHBondContact O-CB 3.35Å; A117-L120 PolarHBondContact O-N 3.01Å; A117-E121 PolarHBondContact O-N 3.44Å |
| 118 | D | 93.1 | Very high | 89.9 | Confident | 70 Ų | 70 | 72 Ų | 72 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -34.9 | 177 | -63.8 | -14.5 | 0 | 0 | 0 | 112.3 | V114 K122 | V114-D118 PolarHBondContact O-N 3.19Å; D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.32Å; D118-K122 PolarHBondContact O-N 3.14Å; D118-K122 VanDerWaalsContact O-N 3.14Å |
| 119 | I | 91.3 | Very high | 88.7 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 17% | 0.169 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.8 | -39 | 175.6 | -65.6 | 164 | 0 | 0 | 0 | 110.5 | E115 V116 A117 T123 L149 L150 K153 | E115-I119 WeakPolarHBondContact O-CD1 3.45Å; E115-I119 WeakPolarHBondContact O-CG1 3.4Å; E115-I119 PolarHBondContact O-N 2.99Å; V116-I119 PolarHBondContact O-N 3.46Å; A117-I119 PolarHBondContact O-N 3.19Å; I119-T123 WeakPolarHBondContact O-CB 3.35Å; I119-T123 PolarHBondContact O-N 3.31Å; I119-T123 PolarHBondContact O-OG1 3.14Å; I119-L149 HydrophobicContact CD1-CD2 4.44Å; I119-L149 HydrophobicContact CD1-CG 4.41Å; I119-L149 HydrophobicContact CG2-CD2 4.21Å; I119-L149 HydrophobicContact CG2-CG 4.44Å; I119-L150 HydrophobicContact CB-CD1 4.22Å; I119-L150 HydrophobicContact CG2-CB 4.36Å; I119-L150 HydrophobicContact CG2-CD1 4.18Å; I119-K153 HydrophobicContact CD1-CB 4.18Å; I119-K153 HydrophobicContact CD1-CG 4.04Å |
| 120 | L | 91.6 | Very high | 87.2 | Confident | 73 Ų | 73 | 76 Ų | 76 | 38% | 0.382 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 174.5 | -75 | 173.5 | 0 | 0 | 0 | 111.4 | V116 A117 K122 T123 T124 L150 | V116-L120 PolarHBondContact O-N 3.31Å; A117-L120 WeakPolarHBondContact O-CA 3.34Å; A117-L120 VanDerWaalsContact O-CB 3.32Å; A117-L120 WeakPolarHBondContact O-CB 3.35Å; A117-L120 PolarHBondContact O-N 3.01Å; L120-K122 PolarHBondContact O-N 3Å; L120-T123 WeakPolarHBondContact O-CA 3.49Å; L120-T123 WeakPolarHBondContact O-CB 3.37Å; L120-T123 PolarHBondContact O-N 2.91Å; L120-T124 WeakPolarHBondContact O-CG2 3.46Å; L120-T124 PolarHBondContact O-N 3.31Å; L120-T124 PolarHBondContact O-OG1 3.43Å; L120-L150 HydrophobicContact CD1-CD1 4.15Å; L120-L150 HydrophobicContact CD1-CD2 4.34Å; L120-L150 HydrophobicContact CD2-CD1 3.7Å; L120-L150 HydrophobicContact CD2-CD2 3.3Å; L120-L150 HydrophobicContact CD2-CG 4.06Å; L120-L150 HydrophobicContact CG-CD1 3.45Å; L120-L150 VanDerWaalsContact CG-CD1 3.45Å; L120-L150 HydrophobicContact CG-CD2 3.94Å; L120-L150 HydrophobicContact CG-CG 4.3Å |
| 121 | E | 91.6 | Very high | 85.4 | Confident | 113 Ų | 113 | 78.7 Ų | 78.7 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.3 | -49.8 | -178.5 | -71.5 | -180 | -178.3 | 0 | 0 | 110.8 | A117 T123 T124 E125 | A117-E121 PolarHBondContact O-N 3.44Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.01Å; E121-T124 WeakPolarHBondContact CA-OG1 3.5Å; E121-T124 PolarHBondContact O-N 3.48Å; E121-T124 PolarHBondContact O-OG1 2.9Å; E121-E125 WeakPolarHBondContact O-CG 3.22Å; E121-E125 PolarHBondContact O-N 3.06Å |
| 122 | K | 88.3 | Confident | 83.7 | Confident | 119 Ų | 119 | 80.1 Ų | 80.1 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 174.7 | -71.7 | 172.5 | -176.6 | 172.2 | 0 | 112.9 | D118 L120 T124 E125 Y126 | D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.32Å; D118-K122 PolarHBondContact O-N 3.14Å; D118-K122 VanDerWaalsContact O-N 3.14Å; L120-K122 PolarHBondContact O-N 3Å; K122-T124 VanDerWaalsContact C-N 3.29Å; K122-T124 PolarHBondContact O-N 2.93Å; K122-E125 PolarHBondContact O-N 3.05Å; K122-Y126 WeakPolarHBondContact O-CD2 3.08Å; K122-Y126 PolarHBondContact O-N 3.21Å |
| 123 | T | 88.6 | Confident | 82 | Confident | 11 Ų | 11 | 83.5 Ų | 83.5 | 7% | 0.067 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 177.9 | -55 | 0 | 0 | 0 | 0 | 110.9 | I119 L120 E121 I127 I143 | I119-T123 WeakPolarHBondContact O-CB 3.35Å; I119-T123 PolarHBondContact O-N 3.31Å; I119-T123 PolarHBondContact O-OG1 3.14Å; L120-T123 WeakPolarHBondContact O-CA 3.49Å; L120-T123 WeakPolarHBondContact O-CB 3.37Å; L120-T123 PolarHBondContact O-N 2.91Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.01Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I143 HydrophobicContact CG2-CG2 4.46Å |
| 124 | T | 87.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 83.5 Ų | 83.5 | 47% | 0.466 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.9 | -31.7 | 177.2 | 55.2 | 0 | 0 | 0 | 0 | 114 | L120 E121 K122 I127 S128 | L120-T124 WeakPolarHBondContact O-CG2 3.46Å; L120-T124 PolarHBondContact O-N 3.31Å; L120-T124 PolarHBondContact O-OG1 3.43Å; E121-T124 WeakPolarHBondContact CA-OG1 3.5Å; E121-T124 PolarHBondContact O-N 3.48Å; E121-T124 PolarHBondContact O-OG1 2.9Å; K122-T124 VanDerWaalsContact C-N 3.29Å; K122-T124 PolarHBondContact O-N 2.93Å; T124-I127 WeakPolarHBondContact O-CB 3.45Å; T124-I127 PolarHBondContact O-N 3.41Å; T124-S128 PolarHBondContact O-N 2.68Å; T124-S128 PolarHBondContact O-OG 3.32Å |
| 125 | E | 86.8 | Confident | 79 | Confident | 106 Ų | 106 | 84.5 Ų | 84.5 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.9 | -73.6 | 172.1 | 171.1 | 0 | 0 | 111 | E121 K122 I127 S128 E129 | E121-E125 WeakPolarHBondContact O-CG 3.22Å; E121-E125 PolarHBondContact O-N 3.06Å; K122-E125 PolarHBondContact O-N 3.05Å; E125-I127 PolarHBondContact O-N 3.24Å; E125-I127 VanDerWaalsContact O-N 3.15Å; E125-S128 PolarHBondContact O-N 3.35Å; E125-E129 PolarHBondContact O-N 2.89Å; E125-E129 VanDerWaalsContact O-N 3.14Å |
| 126 | Y | 80.8 | Confident | 78 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58 | -29.8 | 175.7 | -65.7 | -45.4 | 0 | 0 | 0 | 113.6 | K122 | K122-Y126 WeakPolarHBondContact O-CD2 3.08Å; K122-Y126 PolarHBondContact O-N 3.21Å |
| 127 | I | 76.3 | Confident | 77.1 | Confident | 81 Ų | 81 | 94.8 Ų | 94.8 | 42% | 0.415 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -37 | 176.4 | -55.8 | 178.6 | 0 | 0 | 0 | 110.8 | T123 T124 E125 I143 | T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T124-I127 WeakPolarHBondContact O-CB 3.45Å; T124-I127 PolarHBondContact O-N 3.41Å; E125-I127 PolarHBondContact O-N 3.24Å; E125-I127 VanDerWaalsContact O-N 3.15Å; I127-I143 HydrophobicContact CD1-CD1 3.81Å; I127-I143 HydrophobicContact CD1-CG1 3.93Å; I127-I143 HydrophobicContact CG1-CD1 3.63Å; I127-I143 HydrophobicContact CG1-CG1 3.68Å |
| 128 | S | 71.8 | Confident | 76.2 | Confident | 88 Ų | 88 | 97 Ų | 97 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -76.4 | -35.1 | -174.2 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | T124 E125 T131 | T124-S128 PolarHBondContact O-N 2.68Å; T124-S128 PolarHBondContact O-OG 3.32Å; E125-S128 PolarHBondContact O-N 3.35Å; S128-T131 PolarHBondContact O-OG1 3.45Å; S128-T131 VanDerWaalsContact O-OG1 3.11Å |
| 129 | E | 68.8 | Low | 75.4 | Confident | 152 Ų | 152 | 94.4 Ų | 94.4 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -77.7 | -28.6 | -178.2 | -66.6 | -178.1 | 168.6 | 0 | 0 | 113.5 | E125 T131 | E125-E129 PolarHBondContact O-N 2.89Å; E125-E129 VanDerWaalsContact O-N 3.14Å; E129-T131 PolarHBondContact O-N 2.95Å |
| 130 | E | 61.6 | Low | 75 | Confident | 57 Ų | 57 | 98.4 Ų | 98.4 | 27% | 0.266 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 32.2 | -174.2 | -66.4 | -171.3 | 170.4 | 0 | 0 | 114.3 | E132 T139 K142 | E130-E132 PolarHBondContact O-N 3.14Å; E130-T139 HydrophobicContact CB-CG2 4.01Å; E130-T139 VanDerWaalsContact OE2-CA 3.27Å; E130-T139 WeakPolarHBondContact OE2-CA 3.49Å; E130-T139 WeakPolarHBondContact OE2-CB 3.47Å; E130-T139 WeakPolarHBondContact OE2-CG2 3.47Å; E130-T139 PolarHBondContact OE2-OG1 3.48Å; E130-K142 IonicContact OE1-NZ 3.74Å; E130-K142 PolarHBondContact OE1-NZ 3.23Å; E130-K142 IonicContact OE2-NZ 2.65Å |
| 131 | T | 56.3 | Low | 74.7 | Confident | 114 Ų | 114 | 101.1 Ų | 101.1 | 70% | 0.699 | 53% | 0.526 | S | S | * | . | trans | -71 | 2.9 | 178.6 | -44.7 | 0 | 0 | 0 | 0 | 113.5 | S128 E129 | S128-T131 PolarHBondContact O-OG1 3.45Å; S128-T131 VanDerWaalsContact O-OG1 3.11Å; E129-T131 PolarHBondContact O-N 2.95Å | ||
| 132 | E | 59.7 | Low | 74.4 | Confident | 157 Ų | 157 | 100.2 Ų | 100.2 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -78.4 | 127.2 | 176 | -71.5 | -65.3 | 141.7 | 0 | 0 | 111 | E130 G134 | E130-E132 PolarHBondContact O-N 3.14Å; E132-G134 PolarHBondContact O-N 3.11Å |
| 133 | P | 58.2 | Low | 74.3 | Confident | 104 Ų | 104 | 96 Ų | 96 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 8.5 | -161.5 | 26.7 | -35.3 | 0 | 0 | 0 | 116.6 | ||
| 134 | G | 61.8 | Low | 74.3 | Confident | 67 Ų | 67 | 103 Ų | 103 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -34.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E132 | E132-G134 PolarHBondContact O-N 3.11Š|
| 135 | D | 65 | Low | 74.4 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | trans | -126.8 | 31.2 | -159.2 | -76.7 | -26.2 | 0 | 0 | 0 | 114.8 | K137 L138 T139 | D135-K137 PolarHBondContact O-N 3.24Å; D135-L138 HydrophobicContact CB-CB 4.43Å; D135-L138 HydrophobicContact CB-CD1 4.1Å; D135-L138 PolarHBondContact O-N 3.32Å; D135-T139 PolarHBondContact O-N 3.04Å; D135-T139 PolarHBondContact O-OG1 3.32Å | ||
| 136 | Q | 70.6 | Confident | 74.6 | Confident | 139 Ų | 139 | 104.2 Ų | 104.2 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -51.2 | -32.4 | -176 | -65.3 | 177.8 | 4.9 | 0 | 0 | 114.6 | L140 | Q136-L140 VanDerWaalsContact O-CG 3.3Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 2.91Å; Q136-L140 VanDerWaalsContact O-N 3.12Å |
| 137 | K | 74.9 | Confident | 75.1 | Confident | 169 Ų | 169 | 102.6 Ų | 102.6 | 74% | 0.735 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 177.5 | -69.9 | -176.5 | -179.9 | 179.7 | 0 | 112.4 | D135 T139 L140 E141 | D135-K137 PolarHBondContact O-N 3.24Å; K137-T139 VanDerWaalsContact C-N 3.33Å; K137-L140 PolarHBondContact O-N 3Å; K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 2.86Å |
| 138 | L | 75.3 | Confident | 75.9 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 179 | -65.6 | 173 | 0 | 0 | 0 | 110.7 | D135 E141 K142 | D135-L138 HydrophobicContact CB-CB 4.43Å; D135-L138 HydrophobicContact CB-CD1 4.1Å; D135-L138 PolarHBondContact O-N 3.32Å; L138-E141 PolarHBondContact O-N 3.47Å; L138-K142 VanDerWaalsContact O-CG 3.26Å; L138-K142 WeakPolarHBondContact O-CG 3.07Å; L138-K142 PolarHBondContact O-N 2.9Å |
| 139 | T | 77.8 | Confident | 76.9 | Confident | 17 Ų | 17 | 102.2 Ų | 102.2 | 10% | 0.104 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 174.6 | -45.1 | 0 | 0 | 0 | 0 | 111.5 | E130 D135 K137 E141 K142 I143 | E130-T139 HydrophobicContact CB-CG2 4.01Å; E130-T139 VanDerWaalsContact OE2-CA 3.27Å; E130-T139 WeakPolarHBondContact OE2-CA 3.49Å; E130-T139 WeakPolarHBondContact OE2-CB 3.47Å; E130-T139 WeakPolarHBondContact OE2-CG2 3.47Å; E130-T139 PolarHBondContact OE2-OG1 3.48Å; D135-T139 PolarHBondContact O-N 3.04Å; D135-T139 PolarHBondContact O-OG1 3.32Å; K137-T139 VanDerWaalsContact C-N 3.33Å; T139-E141 PolarHBondContact O-N 3.02Å; T139-K142 PolarHBondContact O-N 2.8Å; T139-I143 HydrophobicContact CG2-CD1 4.14Å; T139-I143 VanDerWaalsContact O-CG1 3.23Å; T139-I143 WeakPolarHBondContact O-CG1 3.39Å; T139-I143 PolarHBondContact O-N 3.03Å |
| 140 | L | 82.6 | Confident | 78.2 | Confident | 117 Ų | 117 | 96.2 Ų | 96.2 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 177.9 | -70.6 | 174.4 | 0 | 0 | 0 | 112.6 | Q136 K137 I143 F144 | Q136-L140 VanDerWaalsContact O-CG 3.3Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 2.91Å; Q136-L140 VanDerWaalsContact O-N 3.12Å; K137-L140 PolarHBondContact O-N 3Å; L140-I143 HydrophobicContact CD2-CD1 4.47Å; L140-I143 PolarHBondContact O-N 3.49Å; L140-F144 WeakPolarHBondContact O-CB 3.29Å; L140-F144 PolarHBondContact O-N 3.15Å |
| 141 | E | 85.6 | Confident | 79.7 | Confident | 130 Ų | 130 | 98.5 Ų | 98.5 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 175.6 | -73.8 | 176.1 | -173.2 | 0 | 0 | 112 | K137 L138 T139 F144 R145 | K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 2.86Å; L138-E141 PolarHBondContact O-N 3.47Å; T139-E141 PolarHBondContact O-N 3.02Å; E141-F144 PolarHBondContact O-N 2.75Å; E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 2.96Å |
| 142 | K | 84.3 | Confident | 81.4 | Confident | 93 Ų | 93 | 95.8 Ų | 95.8 | 40% | 0.404 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175 | -73 | 172.1 | -173.2 | 179.2 | 0 | 111.9 | E130 L138 T139 R145 G146 | E130-K142 IonicContact OE1-NZ 3.74Å; E130-K142 PolarHBondContact OE1-NZ 3.23Å; E130-K142 IonicContact OE2-NZ 2.65Å; L138-K142 VanDerWaalsContact O-CG 3.26Å; L138-K142 WeakPolarHBondContact O-CG 3.07Å; L138-K142 PolarHBondContact O-N 2.9Å; T139-K142 PolarHBondContact O-N 2.8Å; K142-R145 PolarHBondContact O-N 3.27Å; K142-G146 PolarHBondContact O-N 2.8Å |
| 143 | I | 86.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 91 Ų | 91 | 16% | 0.164 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 176.3 | -64.7 | 162.6 | 0 | 0 | 0 | 110.3 | T123 I127 T139 L140 R145 G146 L147 | T123-I143 HydrophobicContact CG2-CG2 4.46Å; I127-I143 HydrophobicContact CD1-CD1 3.81Å; I127-I143 HydrophobicContact CD1-CG1 3.93Å; I127-I143 HydrophobicContact CG1-CD1 3.63Å; I127-I143 HydrophobicContact CG1-CG1 3.68Å; T139-I143 HydrophobicContact CG2-CD1 4.14Å; T139-I143 VanDerWaalsContact O-CG1 3.23Å; T139-I143 WeakPolarHBondContact O-CG1 3.39Å; T139-I143 PolarHBondContact O-N 3.03Å; L140-I143 HydrophobicContact CD2-CD1 4.47Å; L140-I143 PolarHBondContact O-N 3.49Å; I143-R145 VanDerWaalsContact C-N 3.26Å; I143-R145 PolarHBondContact O-N 3.45Å; I143-G146 PolarHBondContact O-N 3.33Å; I143-G146 VanDerWaalsContact O-N 3.07Å; I143-L147 HydrophobicContact CG2-CD1 3.96Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.19Å |
| 144 | F | 89.4 | Confident | 84.8 | Confident | 156 Ų | 156 | 88.5 Ų | 88.5 | 68% | 0.684 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.5 | -40.4 | -180 | -173.8 | -97.7 | 0 | 0 | 0 | 111.5 | L140 E141 L147 S148 | L140-F144 WeakPolarHBondContact O-CB 3.29Å; L140-F144 PolarHBondContact O-N 3.15Å; E141-F144 PolarHBondContact O-N 2.75Å; F144-L147 PolarHBondContact O-N 2.94Å; F144-S148 WeakPolarHBondContact O-CB 3.33Å; F144-S148 PolarHBondContact O-N 3.43Å |
| 145 | R | 89.4 | Confident | 86.3 | Confident | 197 Ų | 197 | 90.6 Ų | 90.6 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 173.7 | -165.2 | -177.8 | 90.6 | 173.3 | 5.9 | 112.2 | E141 K142 I143 S148 L149 | E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 2.96Å; K142-R145 PolarHBondContact O-N 3.27Å; I143-R145 VanDerWaalsContact C-N 3.26Å; I143-R145 PolarHBondContact O-N 3.45Å; R145-S148 PolarHBondContact O-N 3.25Å; R145-L149 WeakPolarHBondContact O-CB 3.41Å; R145-L149 PolarHBondContact O-N 3.24Å |
| 146 | G | 89.4 | Confident | 87.7 | Confident | 11 Ų | 11 | 88 Ų | 88 | 11% | 0.113 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K142 I143 L149 L150 | K142-G146 PolarHBondContact O-N 2.8Å; I143-G146 PolarHBondContact O-N 3.33Å; I143-G146 VanDerWaalsContact O-N 3.07Å; G146-L149 PolarHBondContact O-N 3.48Å; G146-L150 WeakPolarHBondContact O-CB 3.12Å; G146-L150 PolarHBondContact O-N 2.87Å |
| 147 | L | 92.5 | Very high | 88.9 | Confident | 87 Ų | 87 | 81.4 Ų | 81.4 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.5 | -68 | 176.1 | 0 | 0 | 0 | 112.7 | I143 F144 L150 E151 | I143-L147 HydrophobicContact CG2-CD1 3.96Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.19Å; F144-L147 PolarHBondContact O-N 2.94Å; L147-L150 WeakPolarHBondContact O-CB 3.09Å; L147-L150 PolarHBondContact O-N 3.28Å; L147-E151 PolarHBondContact O-N 2.81Å |
| 148 | S | 93.4 | Very high | 89.8 | Confident | 61 Ų | 61 | 75.3 Ų | 75.3 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.5 | -175 | 0 | 0 | 0 | 0 | 111.7 | F144 R145 L150 E151 A152 | F144-S148 WeakPolarHBondContact O-CB 3.33Å; F144-S148 PolarHBondContact O-N 3.43Å; R145-S148 PolarHBondContact O-N 3.25Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-E151 PolarHBondContact O-N 3.14Å; S148-A152 WeakPolarHBondContact O-CB 3.34Å; S148-A152 PolarHBondContact O-N 3.3Å |
| 149 | L | 92.8 | Very high | 90.6 | Very high | 99 Ų | 99 | 74.9 Ų | 74.9 | 52% | 0.518 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.9 | -179.8 | 65.2 | 0 | 0 | 0 | 111.4 | I119 R145 G146 A152 K153 | I119-L149 HydrophobicContact CD1-CD2 4.44Å; I119-L149 HydrophobicContact CD1-CG 4.41Å; I119-L149 HydrophobicContact CG2-CD2 4.21Å; I119-L149 HydrophobicContact CG2-CG 4.44Å; R145-L149 WeakPolarHBondContact O-CB 3.41Å; R145-L149 PolarHBondContact O-N 3.24Å; G146-L149 PolarHBondContact O-N 3.48Å; L149-A152 PolarHBondContact O-N 3.27Å; L149-K153 WeakPolarHBondContact O-CB 3.26Å; L149-K153 PolarHBondContact O-N 3.38Å |
| 150 | L | 94.4 | Very high | 91.4 | Very high | 27 Ų | 27 | 80.2 Ų | 80.2 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 175.5 | -174.7 | 82.6 | 0 | 0 | 0 | 111.6 | V116 I119 L120 G146 L147 S148 A152 K153 L154 | V116-L150 HydrophobicContact CB-CD1 4.45Å; V116-L150 HydrophobicContact CG1-CD1 3.38Å; V116-L150 HydrophobicContact CG1-CG 4.13Å; V116-L150 WeakPolarHBondContact O-CD1 3.36Å; I119-L150 HydrophobicContact CB-CD1 4.22Å; I119-L150 HydrophobicContact CG2-CB 4.36Å; I119-L150 HydrophobicContact CG2-CD1 4.18Å; L120-L150 HydrophobicContact CD1-CD1 4.15Å; L120-L150 HydrophobicContact CD1-CD2 4.34Å; L120-L150 HydrophobicContact CD2-CD1 3.7Å; L120-L150 HydrophobicContact CD2-CD2 3.3Å; L120-L150 HydrophobicContact CD2-CG 4.06Å; L120-L150 HydrophobicContact CG-CD1 3.45Å; L120-L150 VanDerWaalsContact CG-CD1 3.45Å; L120-L150 HydrophobicContact CG-CD2 3.94Å; L120-L150 HydrophobicContact CG-CG 4.3Å; G146-L150 WeakPolarHBondContact O-CB 3.12Å; G146-L150 PolarHBondContact O-N 2.87Å; L147-L150 WeakPolarHBondContact O-CB 3.09Å; L147-L150 PolarHBondContact O-N 3.28Å; S148-L150 VanDerWaalsContact C-N 3.34Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.44Å; L150-K153 PolarHBondContact O-N 2.88Å; L150-L154 WeakPolarHBondContact O-CB 3.18Å; L150-L154 PolarHBondContact O-N 3.5Å |
| 151 | E | 93 | Very high | 91.9 | Very high | 104 Ų | 104 | 76.6 Ų | 76.6 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | -179.7 | -171.8 | -170.1 | 172.2 | 0 | 0 | 111.1 | L147 S148 L154 K155 | L147-E151 PolarHBondContact O-N 2.81Å; S148-E151 PolarHBondContact O-N 3.14Å; E151-L154 PolarHBondContact O-N 2.97Å; E151-K155 HydrophobicContact CG-CD 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 2.92Å; E151-K155 WeakPolarHBondContact OE1-CE 3.41Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 3.46Å |
| 152 | A | 93.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 71.1 Ų | 71.1 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S148 L149 L150 S156 | S148-A152 WeakPolarHBondContact O-CB 3.34Å; S148-A152 PolarHBondContact O-N 3.3Å; L149-A152 PolarHBondContact O-N 3.27Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.44Å; A152-S156 WeakPolarHBondContact O-CB 3.38Å; A152-S156 PolarHBondContact O-N 2.99Å |
| 153 | K | 94.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 68.2 Ų | 68.2 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 178 | -173.3 | 69.6 | 177.9 | -166.2 | 0 | 111.2 | E115 V116 I119 L149 L150 K155 S156 V157 | E115-K153 WeakPolarHBondContact OE2-CE 3.31Å; E115-K153 IonicContact OE2-NZ 3.52Å; E115-K153 PolarHBondContact OE2-NZ 2.98Å; V116-K153 HydrophobicContact CG2-CB 4.41Å; V116-K153 HydrophobicContact CG2-CG 3.77Å; I119-K153 HydrophobicContact CD1-CB 4.18Å; I119-K153 HydrophobicContact CD1-CG 4.04Å; L149-K153 WeakPolarHBondContact O-CB 3.26Å; L149-K153 PolarHBondContact O-N 3.38Å; L150-K153 PolarHBondContact O-N 2.88Å; K153-K155 PolarHBondContact O-N 3.48Å; K153-S156 WeakPolarHBondContact O-CB 3.36Å; K153-S156 PolarHBondContact O-N 2.83Å; K153-S156 VanDerWaalsContact O-N 3.14Å; K153-V157 WeakPolarHBondContact O-CG2 3.46Å; K153-V157 PolarHBondContact O-N 2.94Å |
| 154 | L | 94.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 72.5 Ų | 72.5 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 178.4 | -174.9 | 64.4 | 0 | 0 | 0 | 111.6 | L113 V116 L150 E151 S156 V157 F158 | L113-L154 HydrophobicContact CD1-CD1 4Å; V116-L154 HydrophobicContact CG1-CD1 4.39Å; L150-L154 WeakPolarHBondContact O-CB 3.18Å; L150-L154 PolarHBondContact O-N 3.5Å; E151-L154 PolarHBondContact O-N 2.97Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.45Å; L154-V157 PolarHBondContact O-N 3.33Å; L154-F158 HydrophobicContact CD1-CD1 4.25Å; L154-F158 HydrophobicContact CD1-CE1 3.57Å; L154-F158 HydrophobicContact CD1-CE2 4.18Å; L154-F158 HydrophobicContact CD1-CZ 3.53Å; L154-F158 HydrophobicContact CD2-CE2 4.14Å; L154-F158 HydrophobicContact CD2-CZ 4.06Å; L154-F158 HydrophobicContact CG-CD2 4.35Å; L154-F158 HydrophobicContact CG-CE1 4.11Å; L154-F158 HydrophobicContact CG-CE2 3.82Å; L154-F158 HydrophobicContact CG-CZ 3.69Å; L154-F158 WeakPolarHBondContact O-CG 3.29Å; L154-F158 PolarHBondContact O-N 2.89Å |
| 155 | K | 93.1 | Very high | 93.1 | Very high | 111 Ų | 111 | 70 Ų | 70 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.1 | -73.1 | 176.1 | -175.6 | 169.9 | 0 | 112.3 | E151 K153 F158 A159 | E151-K155 HydrophobicContact CG-CD 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 2.92Å; E151-K155 WeakPolarHBondContact OE1-CE 3.41Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 3.46Å; K153-K155 PolarHBondContact O-N 3.48Å; K155-F158 PolarHBondContact O-N 3.25Å; K155-A159 PolarHBondContact O-N 2.84Å |
| 156 | S | 93.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | A152 K153 L154 A159 K160 | A152-S156 WeakPolarHBondContact O-CB 3.38Å; A152-S156 PolarHBondContact O-N 2.99Å; K153-S156 WeakPolarHBondContact O-CB 3.36Å; K153-S156 PolarHBondContact O-N 2.83Å; K153-S156 VanDerWaalsContact O-N 3.14Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.45Å; S156-A159 PolarHBondContact O-N 3.2Å; S156-K160 VanDerWaalsContact O-CG 3.28Å; S156-K160 WeakPolarHBondContact O-CG 3.28Å; S156-K160 PolarHBondContact O-N 3.29Å |
| 157 | V | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | F109 D112 V116 K153 L154 A159 K160 H161 | F109-V157 HydrophobicContact CD2-CG1 4.26Å; F109-V157 HydrophobicContact CE2-CG1 4.12Å; D112-V157 HydrophobicContact CB-CB 4.49Å; D112-V157 HydrophobicContact CB-CG1 3.73Å; D112-V157 HydrophobicContact CB-CG2 3.93Å; V116-V157 HydrophobicContact CG2-CG2 4.26Å; K153-V157 WeakPolarHBondContact O-CG2 3.46Å; K153-V157 PolarHBondContact O-N 2.94Å; L154-V157 PolarHBondContact O-N 3.33Å; V157-A159 PolarHBondContact O-N 3.28Å; V157-K160 PolarHBondContact O-N 2.93Å; V157-H161 PolarHBondContact O-CD2 3.4Å; V157-H161 VanDerWaalsContact O-CD2 3.26Å; V157-H161 PolarHBondContact O-N 2.88Å |
| 158 | F | 94.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 18% | 0.18 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 176.7 | -70.5 | -8.8 | 0 | 0 | 0 | 112.4 | F109 L154 K155 K160 H161 G162 L163 Y203 | F109-F158 HydrophobicContact CE2-CD1 4.31Å; F109-F158 HydrophobicContact CE2-CE1 4.37Å; F109-F158 HydrophobicContact CZ-CE1 4.37Å; L154-F158 HydrophobicContact CD1-CD1 4.25Å; L154-F158 HydrophobicContact CD1-CE1 3.57Å; L154-F158 HydrophobicContact CD1-CE2 4.18Å; L154-F158 HydrophobicContact CD1-CZ 3.53Å; L154-F158 HydrophobicContact CD2-CE2 4.14Å; L154-F158 HydrophobicContact CD2-CZ 4.06Å; L154-F158 HydrophobicContact CG-CD2 4.35Å; L154-F158 HydrophobicContact CG-CE1 4.11Å; L154-F158 HydrophobicContact CG-CE2 3.82Å; L154-F158 HydrophobicContact CG-CZ 3.69Å; L154-F158 WeakPolarHBondContact O-CG 3.29Å; L154-F158 PolarHBondContact O-N 2.89Å; K155-F158 PolarHBondContact O-N 3.25Å; F158-K160 VanDerWaalsContact C-N 3.34Å; F158-K160 PolarHBondContact O-N 3.45Å; F158-H161 PolarHBondContact O-N 3.29Å; F158-G162 PolarHBondContact O-N 2.88Å; F158-L163 CarbonylContact C-O 3.59Å; F158-L163 HydrophobicContact CB-CB 4.02Å; F158-L163 HydrophobicContact CB-CD2 4.12Å; F158-L163 HydrophobicContact CD1-CD2 3.71Å; F158-L163 HydrophobicContact CD2-CD2 3.91Å; F158-L163 HydrophobicContact CE1-CD2 4.01Å; F158-L163 HydrophobicContact CE2-CD2 4.19Å; F158-L163 HydrophobicContact CG-CB 4.45Å; F158-L163 HydrophobicContact CG-CD2 3.66Å; F158-L163 HydrophobicContact CZ-CD2 4.23Å; F158-L163 WeakPolarHBondContact O-CA 3.42Å; F158-L163 WeakPolarHBondContact O-CB 3.38Å; F158-L163 PolarHBondContact O-N 3.35Å; F158-Y203 HydrophobicContact CD2-CE1 4.13Å; F158-Y203 HydrophobicContact CE2-CE1 4.12Å |
| 159 | A | 92.4 | Very high | 92.4 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K155 S156 V157 H161 G162 | K155-A159 PolarHBondContact O-N 2.84Å; S156-A159 PolarHBondContact O-N 3.2Å; V157-A159 PolarHBondContact O-N 3.28Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 2.95Å; A159-G162 PolarHBondContact O-N 2.9Å |
| 160 | K | 93.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 60.8 Ų | 60.8 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 178.2 | -75.2 | 174.6 | -179.5 | -171.2 | 0 | 113.2 | S156 V157 F158 G162 | S156-K160 VanDerWaalsContact O-CG 3.28Å; S156-K160 WeakPolarHBondContact O-CG 3.28Å; S156-K160 PolarHBondContact O-N 3.29Å; V157-K160 PolarHBondContact O-N 2.93Å; F158-K160 VanDerWaalsContact C-N 3.34Å; F158-K160 PolarHBondContact O-N 3.45Å; K160-G162 VanDerWaalsContact C-N 3.3Å |
| 161 | H | 93.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 11.9 | -180 | -66.9 | -77.5 | 0 | 0 | 0 | 113 | F109 D112 V157 F158 A159 L163 L205 H206 | F109-H161 HydrophobicContact CD2-CB 4.13Å; F109-H161 AromaticContact CD2-CD2 3.65Å; F109-H161 AromaticContact CD2-CG 3.8Å; F109-H161 PolarHBondContact N-CE1 3.46Å; D112-H161 IonicContact OD2-CD2 2.57Å; D112-H161 IonicContact OD2-CE1 2.65Å; D112-H161 IonicContact OD2-NE2 3.66Å; D112-H161 PolarHBondContact OD2-NE2 3.05Å; V157-H161 PolarHBondContact O-CD2 3.4Å; V157-H161 VanDerWaalsContact O-CD2 3.26Å; V157-H161 PolarHBondContact O-N 2.88Å; F158-H161 PolarHBondContact O-N 3.29Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 2.95Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 2.88Å; H161-L205 WeakPolarHBondContact O-CD1 3.37Å; H161-H206 PolarHBondContact O-NE2 2.96Å |
| 162 | G | 91.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 66.8 Ų | 66.8 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 22 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F158 A159 K160 L205 H206 | F158-G162 PolarHBondContact O-N 2.88Å; A159-G162 PolarHBondContact O-N 2.9Å; K160-G162 VanDerWaalsContact C-N 3.3Å; G162-L205 WeakPolarHBondContact O-CA 3.3Å; G162-H206 PolarHBondContact O-N 3.23Å |
| 163 | L | 94.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.4 | 171.7 | -165.7 | 79.4 | 0 | 0 | 0 | 109.7 | F158 H161 Y203 K204 L205 I210 | F158-L163 CarbonylContact C-O 3.59Å; F158-L163 HydrophobicContact CB-CB 4.02Å; F158-L163 HydrophobicContact CB-CD2 4.12Å; F158-L163 HydrophobicContact CD1-CD2 3.71Å; F158-L163 HydrophobicContact CD2-CD2 3.91Å; F158-L163 HydrophobicContact CE1-CD2 4.01Å; F158-L163 HydrophobicContact CE2-CD2 4.19Å; F158-L163 HydrophobicContact CG-CB 4.45Å; F158-L163 HydrophobicContact CG-CD2 3.66Å; F158-L163 HydrophobicContact CZ-CD2 4.23Å; F158-L163 WeakPolarHBondContact O-CA 3.42Å; F158-L163 WeakPolarHBondContact O-CB 3.38Å; F158-L163 PolarHBondContact O-N 3.35Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 2.88Å; L163-Y203 HydrophobicContact CD2-CD1 3.84Å; L163-Y203 HydrophobicContact CD2-CE1 4.39Å; L163-Y203 HydrophobicContact CG-CD1 4.01Å; L163-K204 CarbonylContact C-O 3.57Å; L163-K204 VanDerWaalsContact CA-O 3.31Å; L163-K204 WeakPolarHBondContact CA-O 3.44Å; L163-L205 HydrophobicContact CB-CD1 4.43Å; L163-L205 HydrophobicContact CD1-CB 4.05Å; L163-L205 HydrophobicContact CD1-CD1 4.21Å; L163-I210 HydrophobicContact CD1-CD1 4.02Å |
| 164 | E | 92.3 | Very high | 91.5 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.7 | -177.5 | -67.3 | 176.7 | -175.3 | 0 | 0 | 110.6 | Y203 K204 | E164-Y203 WeakPolarHBondContact O-CA 3.37Å; E164-K204 HydrophobicContact CB-CB 4.5Å; E164-K204 PolarHBondContact N-O 3.36Å; E164-K204 PolarHBondContact O-N 2.87Å |
| 165 | K | 92.4 | Very high | 91.3 | Very high | 104 Ų | 104 | 69.6 Ų | 69.6 | 45% | 0.452 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.1 | 176.1 | -173.4 | -177.6 | -179.9 | 179.8 | 0 | 109.7 | T167 D201 Y203 | K165-T167 HydrophobicContact CD-CG2 4.37Å; K165-T167 HydrophobicContact CG-CG2 4.37Å; K165-D201 HydrophobicContact CD-CB 4.49Å; K165-D201 WeakPolarHBondContact CE-OD1 3.37Å; K165-D201 WeakPolarHBondContact CE-OD2 3.37Å; K165-D201 HydrophobicContact CG-CB 4.22Å; K165-D201 VanDerWaalsContact NZ-CG 3.32Å; K165-D201 IonicContact NZ-OD1 2.74Å; K165-D201 IonicContact NZ-OD2 2.71Å; K165-D201 PolarHBondContact NZ-OD2 3.47Å; K165-Y203 HydrophobicContact CB-CD1 4.41Å; K165-Y203 HydrophobicContact CB-CE1 4.06Å; K165-Y203 HydrophobicContact CG-CE1 4.14Å |
| 166 | M | 89.8 | Confident | 91.2 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.6 | 177.4 | -57.6 | 172.6 | 65.4 | 0 | 0 | 110.4 | E177 G202 K204 | M166-E177 HydrophobicContact CE-CB 3.68Å; M166-E177 HydrophobicContact CE-CG 4Å; M166-E177 WeakPolarHBondContact CE-OE2 3.49Å; M166-G202 PolarHBondContact N-O 3.35Å; M166-G202 PolarHBondContact O-N 2.83Å; M166-K204 HydrophobicContact CE-CD 3.99Å; M166-K204 HydrophobicContact CG-CD 3.88Å; M166-K204 HydrophobicContact CG-CG 4.17Å; M166-K204 HydrophobicContact SD-CB 4.36Å; M166-K204 HydrophobicContact SD-CD 3.42Å; M166-K204 WeakPolarHBondContact SD-CD 3.3Å; M166-K204 WeakPolarHBondContact SD-CE 3.39Å; M166-K204 HydrophobicContact SD-CG 3.46Å; M166-K204 WeakPolarHBondContact SD-CG 3.43Å |
| 167 | T | 87.6 | Confident | 91.1 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | trans | -125.8 | 78.3 | 175.2 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | K165 I169 | K165-T167 HydrophobicContact CD-CG2 4.37Å; K165-T167 HydrophobicContact CG-CG2 4.37Å; T167-I169 PolarHBondContact O-N 2.85Å | ||
| 168 | P | 85.8 | Confident | 91.1 | Very high | 4 Ų | 4 | 72.1 Ų | 72.1 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | trans | -78.5 | 44.5 | -171.3 | 34.9 | -40.5 | 0 | 0 | 0 | 112.9 | G170 D171 H178 V195 V198 A213 V215 | P168-G170 PolarHBondContact O-N 2.87Å; P168-D171 WeakPolarHBondContact CA-OD2 3.38Å; P168-D171 HydrophobicContact CB-CB 4.12Å; P168-D171 PolarHBondContact O-N 3.48Å; P168-H178 VanDerWaalsContact CB-CE1 3.49Å; P168-H178 WeakPolarHBondContact CB-CE1 3.4Å; P168-H178 WeakPolarHBondContact CB-NE2 3.38Å; P168-H178 VanDerWaalsContact CG-NE2 3.31Å; P168-H178 WeakPolarHBondContact CG-NE2 3.44Å; P168-V195 WeakPolarHBondContact O-CB 3.29Å; P168-V195 WeakPolarHBondContact O-CG1 3.44Å; P168-V198 HydrophobicContact CG-CG2 3.95Å; P168-A213 HydrophobicContact CG-CB 3.89Å; P168-V215 HydrophobicContact CG-CG1 3.87Å | ||
| 169 | I | 87.9 | Confident | 91.1 | Very high | 109 Ų | 109 | 74.5 Ų | 74.5 | 56% | 0.559 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 121.1 | 179.4 | -59.9 | 171.5 | 0 | 0 | 0 | 108.4 | T167 D171 V198 | T167-I169 PolarHBondContact O-N 2.85Å; I169-D171 VanDerWaalsContact C-N 3.27Å; I169-D171 PolarHBondContact O-N 3.43Å; I169-V198 HydrophobicContact CD1-CG2 4.48Å; I169-V198 HydrophobicContact CG1-CB 4.31Å; I169-V198 HydrophobicContact CG1-CG2 3.59Å |
| 170 | G | 86.5 | Confident | 91.1 | Very high | 50 Ų | 50 | 74 Ų | 74 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -0.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P168 T194 V195 | P168-G170 PolarHBondContact O-N 2.87Å; G170-T194 WeakPolarHBondContact O-CG2 3.38Å; G170-V195 PolarHBondContact N-O 3.41Å |
| 171 | D | 87.9 | Confident | 91 | Very high | 92 Ų | 92 | 70.6 Ų | 70.6 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -84 | 157.9 | 174 | -71.2 | -34.3 | 0 | 0 | 0 | 111.7 | P168 I169 T194 V195 | P168-D171 WeakPolarHBondContact CA-OD2 3.38Å; P168-D171 HydrophobicContact CB-CB 4.12Å; P168-D171 PolarHBondContact O-N 3.48Å; I169-D171 VanDerWaalsContact C-N 3.27Å; I169-D171 PolarHBondContact O-N 3.43Å; D171-T194 WeakPolarHBondContact O-CG2 3.37Å; D171-V195 PolarHBondContact O-N 3.36Å |
| 172 | K | 91 | Very high | 90.8 | Very high | 166 Ų | 166 | 70.8 Ų | 70.8 | 72% | 0.722 | 37% | 0.372 | S | S | * | . | B | Isolated β-bridge | trans | -64.8 | 142.2 | 173.4 | -69.4 | -177.4 | 179 | 179.1 | 0 | 110.1 | D174 | K172-D174 PolarHBondContact O-N 3.12Å |
| 173 | Y | 91.6 | Very high | 90.7 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 31% | 0.314 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 121.2 | 175.7 | 176.4 | -104.9 | 0 | 0 | 0 | 111.4 | P175 H178 L180 G193 V215 V217 | Y173-P175 HydrophobicContact CE1-CG 3.92Å; Y173-H178 HydrophobicContact CD2-CB 3.74Å; Y173-H178 HydrophobicContact CE2-CB 3.56Å; Y173-H178 WeakPolarHBondContact CE2-O 3.3Å; Y173-H178 PolarHBondContact OH-O 2.97Å; Y173-L180 HydrophobicContact CE2-CB 3.94Å; Y173-G193 PolarHBondContact N-O 3.16Å; Y173-V215 HydrophobicContact CD2-CG2 3.88Å; Y173-V215 HydrophobicContact CE2-CG2 3.99Å; Y173-V217 HydrophobicContact CD2-CG2 3.65Å; Y173-V217 HydrophobicContact CE2-CG2 4.46Å; Y173-V217 HydrophobicContact CG-CG2 3.91Å |
| 174 | D | 91.7 | Very high | 90.4 | Very high | 56 Ų | 56 | 76.6 Ų | 76.6 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | trans | -116 | 119.2 | 171.9 | -175.1 | -13.3 | 0 | 0 | 0 | 110.1 | K172 H176 E177 H178 | K172-D174 PolarHBondContact O-N 3.12Å; D174-H176 PolarHBondContact O-N 2.97Å; D174-H176 IonicContact OD1-CD2 2.68Å; D174-H176 IonicContact OD1-CG 3.94Å; D174-H176 PolarHBondContact OD1-N 3.25Å; D174-E177 HydrophobicContact CB-CB 4.31Å; D174-E177 PolarHBondContact O-N 3.49Å; D174-H178 PolarHBondContact N-ND1 3.34Å; D174-H178 VanDerWaalsContact O-CB 3.3Å; D174-H178 WeakPolarHBondContact O-CB 3.31Å; D174-H178 PolarHBondContact O-N 3.35Å | ||
| 175 | P | 90.8 | Very high | 90.1 | Very high | 87 Ų | 87 | 75 Ų | 75 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.3 | 176.5 | -23.9 | 33.3 | 0 | 0 | 0 | 115.7 | Y173 E177 | Y173-P175 HydrophobicContact CE1-CG 3.92Å; P175-E177 VanDerWaalsContact C-N 3.33Å |
| 176 | H | 91.6 | Very high | 89.5 | Confident | 152 Ų | 152 | 71.6 Ų | 71.6 | 70% | 0.704 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.5 | 180 | -66.1 | -61.3 | 0 | 0 | 0 | 113.4 | D174 L212 | D174-H176 PolarHBondContact O-N 2.97Å; D174-H176 IonicContact OD1-CD2 2.68Å; D174-H176 IonicContact OD1-CG 3.94Å; D174-H176 PolarHBondContact OD1-N 3.25Å; H176-L212 WeakPolarHBondContact O-CD2 3.23Å |
| 177 | E | 91.5 | Very high | 88.6 | Confident | 55 Ų | 55 | 72.9 Ų | 72.9 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -24.9 | -171.8 | -68 | -163.4 | 177.9 | 0 | 0 | 112.3 | M166 D174 P175 K204 L212 A213 | M166-E177 HydrophobicContact CE-CB 3.68Å; M166-E177 HydrophobicContact CE-CG 4Å; M166-E177 WeakPolarHBondContact CE-OE2 3.49Å; D174-E177 HydrophobicContact CB-CB 4.31Å; D174-E177 PolarHBondContact O-N 3.49Å; P175-E177 VanDerWaalsContact C-N 3.33Å; E177-K204 VanDerWaalsContact CD-CE 3.5Å; E177-K204 VanDerWaalsContact OE1-CE 3.27Å; E177-K204 WeakPolarHBondContact OE1-CE 3.47Å; E177-K204 IonicContact OE1-NZ 3.7Å; E177-K204 PolarHBondContact OE1-NZ 2.97Å; E177-K204 IonicContact OE2-NZ 3.82Å; E177-K204 PolarHBondContact OE2-NZ 3.49Å; E177-L212 WeakPolarHBondContact O-CA 3.47Å; E177-A213 PolarHBondContact O-N 2.86Å |
| 178 | H | 93.9 | Very high | 87.5 | Confident | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.037 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.6 | -171.5 | -51.7 | 150.6 | 0 | 0 | 0 | 112.5 | P168 Y173 D174 A213 V215 | P168-H178 VanDerWaalsContact CB-CE1 3.49Å; P168-H178 WeakPolarHBondContact CB-CE1 3.4Å; P168-H178 WeakPolarHBondContact CB-NE2 3.38Å; P168-H178 VanDerWaalsContact CG-NE2 3.31Å; P168-H178 WeakPolarHBondContact CG-NE2 3.44Å; Y173-H178 HydrophobicContact CD2-CB 3.74Å; Y173-H178 HydrophobicContact CE2-CB 3.56Å; Y173-H178 WeakPolarHBondContact CE2-O 3.3Å; Y173-H178 PolarHBondContact OH-O 2.97Å; D174-H178 PolarHBondContact N-ND1 3.34Å; D174-H178 VanDerWaalsContact O-CB 3.3Å; D174-H178 WeakPolarHBondContact O-CB 3.31Å; D174-H178 PolarHBondContact O-N 3.35Å; H178-A213 CarbonylContact C-O 3.52Å; H178-A213 WeakPolarHBondContact CA-O 3.35Å; H178-V215 HydrophobicContact CB-CG1 4.22Å; H178-V215 HydrophobicContact CB-CG2 3.73Å |
| 179 | E | 93.9 | Very high | 86.8 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.3 | 168.4 | -177 | 178.4 | -158 | 0 | 0 | 108.8 | V181 L212 A213 Q214 V215 | E179-V181 PolarHBondContact O-N 3.46Å; E179-L212 HydrophobicContact CB-CB 3.98Å; E179-L212 HydrophobicContact CB-CD1 4.39Å; E179-A213 PolarHBondContact N-O 3.22Å; E179-Q214 HydrophobicContact CB-CG 4.37Å; E179-Q214 WeakPolarHBondContact O-CA 3.48Å; E179-Q214 WeakPolarHBondContact OE2-CG 3.29Å; E179-Q214 PolarHBondContact OE2-NE2 2.99Å; E179-V215 PolarHBondContact O-N 3Å |
| 180 | L | 92.6 | Very high | 86.2 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 33% | 0.325 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 118.7 | 178.4 | 176.3 | 68.6 | 0 | 0 | 0 | 110.3 | Y173 C182 H183 V217 | Y173-L180 HydrophobicContact CE2-CB 3.94Å; L180-C182 WeakPolarHBondContact CD1-O 3.39Å; L180-H183 WeakPolarHBondContact CD2-CE1 3.21Å; L180-V217 HydrophobicContact CD1-CB 3.64Å; L180-V217 HydrophobicContact CD1-CG2 3.49Å; L180-V217 VanDerWaalsContact CD1-CG2 3.49Å |
| 181 | V | 92.6 | Very high | 86 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -48.8 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | E179 Q214 V215 | E179-V181 PolarHBondContact O-N 3.46Å; V181-Q214 HydrophobicContact CG2-CB 3.68Å; V181-Q214 HydrophobicContact CG2-CG 4.13Å; V181-V215 PolarHBondContact N-O 2.9Å |
| 182 | C | 89.5 | Confident | 85.8 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 31% | 0.311 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 163.7 | -179.1 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | L180 E216 V217 | L180-C182 WeakPolarHBondContact CD1-O 3.39Å; C182-E216 WeakPolarHBondContact O-CA 3.48Å; C182-E216 WeakPolarHBondContact SG-CG 3.25Å; C182-E216 PolarHBondContact SG-OE1 3.39Å; C182-E216 VanDerWaalsContact SG-OE1 3.35Å; C182-V217 PolarHBondContact O-N 2.98Å; C182-V217 VanDerWaalsContact O-N 3.11Å |
| 183 | H | 90.3 | Very high | 85.6 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 56% | 0.56 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.9 | 171.5 | -67.4 | -59.2 | 0 | 0 | 0 | 109.8 | L180 V217 V219 | L180-H183 WeakPolarHBondContact CD2-CE1 3.21Å; H183-V217 WeakPolarHBondContact CA-O 3.37Å; H183-V219 HydrophobicContact CB-CB 4.4Å; H183-V219 HydrophobicContact CB-CG2 3.64Å; H183-V219 VanDerWaalsContact CG-CG2 3.47Å; H183-V219 WeakPolarHBondContact ND1-CG2 3.34Å |
| 184 | V | 88.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 29% | 0.285 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.4 | 178 | 178.8 | 0 | 0 | 0 | 0 | 108 | A186 E216 V217 A218 V219 | V184-A186 PolarHBondContact O-N 3.29Å; V184-E216 HydrophobicContact CG2-CB 3.8Å; V184-E216 WeakPolarHBondContact CG2-OE2 3.43Å; V184-V217 PolarHBondContact N-O 2.92Å; V184-A218 CarbonylContact O-C 3.57Å; V184-A218 WeakPolarHBondContact O-CA 3.42Å; V184-V219 PolarHBondContact O-N 3.28Å |
| 185 | P | 85.5 | Confident | 85.5 | Confident | 89 Ų | 89 | 70 Ų | 70 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 130.7 | 173.9 | 23.9 | -33.7 | 0 | 0 | 0 | 109.8 | G187 | P185-G187 PolarHBondContact O-N 2.9Å |
| 186 | A | 78.6 | Confident | 85.5 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 26% | 0.264 | 42% | 0.415 | S | S | . | . | trans | -56.3 | 115.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V184 A218 V219 | V184-A186 PolarHBondContact O-N 3.29Å; A186-A218 HydrophobicContact CB-CB 4.14Å; A186-V219 PolarHBondContact N-O 3.02Å | ||
| 187 | G | 72.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | trans | -68.7 | 167.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P185 G189 V190 | P185-G187 PolarHBondContact O-N 2.9Å; G187-G189 PolarHBondContact O-N 3.41Å; G187-V190 PolarHBondContact O-N 3.49Å | ||
| 188 | V | 64.3 | Low | 85.4 | Confident | 164 Ų | 164 | 63 Ų | 63 | 99% | 0.994 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 112.4 | 179 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 189 | G | 69.8 | Low | 85.3 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 85% | 0.845 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | -1.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G187 | G187-G189 PolarHBondContact O-N 3.41Š|
| 190 | V | 76.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.345 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 126.5 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | G187 A218 | G187-V190 PolarHBondContact O-N 3.49Å; V190-A218 HydrophobicContact CB-CB 4.48Å; V190-A218 HydrophobicContact CG1-CB 3.66Å |
| 191 | Q | 81 | Confident | 85.2 | Confident | 140 Ų | 140 | 69.3 Ų | 69.3 | 65% | 0.654 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 137.9 | 177.6 | -67.9 | -173.6 | 0.7 | 0 | 0 | 111 | T194 | Q191-T194 WeakPolarHBondContact O-CB 3.36Å; Q191-T194 PolarHBondContact O-N 2.99Å; Q191-T194 PolarHBondContact O-OG1 2.9Å |
| 192 | P | 85.4 | Confident | 85.3 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 140.2 | 174.5 | 26.1 | -33.1 | 0 | 0 | 0 | 110.6 | A218 E220 | P192-A218 WeakPolarHBondContact CA-O 3.28Å; P192-E220 HydrophobicContact CB-CB 4.39Å |
| 193 | G | 85.6 | Confident | 85.6 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 5.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y173 A218 | Y173-G193 PolarHBondContact N-O 3.16Å; G193-A218 PolarHBondContact N-O 3.24Å |
| 194 | T | 91.2 | Very high | 85.7 | Confident | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -99.9 | 149.6 | 176.7 | -46.6 | 0 | 0 | 0 | 0 | 110.4 | G170 D171 Q191 A196 V217 A218 | G170-T194 WeakPolarHBondContact O-CG2 3.38Å; D171-T194 WeakPolarHBondContact O-CG2 3.37Å; Q191-T194 WeakPolarHBondContact O-CB 3.36Å; Q191-T194 PolarHBondContact O-N 2.99Å; Q191-T194 PolarHBondContact O-OG1 2.9Å; T194-A196 PolarHBondContact O-N 3.39Å; T194-V217 WeakPolarHBondContact O-CA 3.23Å; T194-A218 PolarHBondContact O-N 3.08Å |
| 195 | V | 91.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 117.3 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | P168 G170 D171 V198 V215 | P168-V195 WeakPolarHBondContact O-CB 3.29Å; P168-V195 WeakPolarHBondContact O-CG1 3.44Å; G170-V195 PolarHBondContact N-O 3.41Å; D171-V195 PolarHBondContact O-N 3.36Å; V195-V198 HydrophobicContact CG1-CG2 4.08Å; V195-V215 HydrophobicContact CB-CB 4.4Å; V195-V215 HydrophobicContact CB-CG1 4.46Å; V195-V215 HydrophobicContact CG1-CB 3.7Å; V195-V215 HydrophobicContact CG1-CG1 3.66Å; V195-V215 HydrophobicContact CG2-CB 3.92Å; V195-V215 HydrophobicContact CG2-CG1 3.95Å; V195-V215 HydrophobicContact CG2-CG2 4.03Å |
| 196 | A | 89.3 | Confident | 86.4 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -42.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T194 E216 A218 | T194-A196 PolarHBondContact O-N 3.39Å; A196-E216 PolarHBondContact N-O 3.05Å; A196-A218 HydrophobicContact CB-CB 4.35Å |
| 197 | L | 89.6 | Confident | 86.9 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 47% | 0.471 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145 | -178.6 | -173.4 | 67.8 | 0 | 0 | 0 | 110.3 | V215 E216 | L197-V215 WeakPolarHBondContact O-CA 3.41Å; L197-E216 HydrophobicContact CB-CB 4.25Å; L197-E216 HydrophobicContact CB-CG 4.29Å; L197-E216 PolarHBondContact N-O 2.83Å; L197-E216 PolarHBondContact O-N 3.09Å |
| 198 | V | 91.8 | Very high | 87.9 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 13% | 0.127 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.6 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | P168 I169 V195 Q200 Q214 V215 | P168-V198 HydrophobicContact CG-CG2 3.95Å; I169-V198 HydrophobicContact CD1-CG2 4.48Å; I169-V198 HydrophobicContact CG1-CB 4.31Å; I169-V198 HydrophobicContact CG1-CG2 3.59Å; V195-V198 HydrophobicContact CG1-CG2 4.08Å; V198-Q200 WeakPolarHBondContact CG1-O 3.32Å; V198-Q214 CarbonylContact C-O 3.59Å; V198-Q214 WeakPolarHBondContact CA-O 3.4Å; V198-V215 HydrophobicContact CG2-CG1 4.24Å |
| 199 | R | 91.4 | Very high | 89.3 | Confident | 177 Ų | 177 | 69.8 Ų | 69.8 | 67% | 0.668 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -34 | 176.1 | -176.7 | 173.2 | -179.8 | 175.9 | -0.4 | 111.4 | Q214 | R199-Q214 HydrophobicContact CB-CB 4.45Å; R199-Q214 PolarHBondContact N-O 3.17Å |
| 200 | Q | 92.6 | Very high | 90.4 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 128.4 | 178.6 | -174.9 | 163.6 | 58.7 | 0 | 0 | 110.3 | V198 R211 A213 Q214 | V198-Q200 WeakPolarHBondContact CG1-O 3.32Å; Q200-R211 VanDerWaalsContact NE2-CZ 3.34Å; Q200-A213 WeakPolarHBondContact O-CA 3.26Å; Q200-Q214 HydrophobicContact CB-CB 3.91Å; Q200-Q214 HydrophobicContact CB-CG 4.16Å; Q200-Q214 PolarHBondContact N-O 3.4Å; Q200-Q214 PolarHBondContact O-N 3.18Å |
| 201 | D | 92.9 | Very high | 91.3 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | trans | -66.6 | 141.4 | -177.9 | -56.5 | -55.7 | 0 | 0 | 0 | 112.1 | K165 Y203 | K165-D201 HydrophobicContact CD-CB 4.49Å; K165-D201 WeakPolarHBondContact CE-OD1 3.37Å; K165-D201 WeakPolarHBondContact CE-OD2 3.37Å; K165-D201 HydrophobicContact CG-CB 4.22Å; K165-D201 VanDerWaalsContact NZ-CG 3.32Å; K165-D201 IonicContact NZ-OD1 2.74Å; K165-D201 IonicContact NZ-OD2 2.71Å; K165-D201 PolarHBondContact NZ-OD2 3.47Å; D201-Y203 HydrophobicContact CB-CE2 4.45Å | ||
| 202 | G | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 163 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M166 R211 | M166-G202 PolarHBondContact N-O 3.35Å; M166-G202 PolarHBondContact O-N 2.83Å; G202-R211 CarbonylContact C-O 3.37Å; G202-R211 VanDerWaalsContact CA-O 3.22Å; G202-R211 WeakPolarHBondContact CA-O 3.32Å |
| 203 | Y | 95.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 66.5 Ų | 66.5 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.2 | 176.1 | -69.9 | -91.2 | 0 | 0 | 0 | 111.7 | F158 L163 E164 K165 D201 I210 R211 | F158-Y203 HydrophobicContact CD2-CE1 4.13Å; F158-Y203 HydrophobicContact CE2-CE1 4.12Å; L163-Y203 HydrophobicContact CD2-CD1 3.84Å; L163-Y203 HydrophobicContact CD2-CE1 4.39Å; L163-Y203 HydrophobicContact CG-CD1 4.01Å; E164-Y203 WeakPolarHBondContact O-CA 3.37Å; K165-Y203 HydrophobicContact CB-CD1 4.41Å; K165-Y203 HydrophobicContact CB-CE1 4.06Å; K165-Y203 HydrophobicContact CG-CE1 4.14Å; D201-Y203 HydrophobicContact CB-CE2 4.45Å; Y203-I210 PolarHBondContact O-N 3.27Å; Y203-R211 PolarHBondContact N-O 2.92Å; Y203-R211 PolarHBondContact O-N 3.31Å |
| 204 | K | 94.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.8 | 174.2 | -86 | 163.5 | 174.4 | 176.7 | 0 | 110.1 | L163 E164 M166 E177 R208 | L163-K204 CarbonylContact C-O 3.57Å; L163-K204 VanDerWaalsContact CA-O 3.31Å; L163-K204 WeakPolarHBondContact CA-O 3.44Å; E164-K204 HydrophobicContact CB-CB 4.5Å; E164-K204 PolarHBondContact N-O 3.36Å; E164-K204 PolarHBondContact O-N 2.87Å; M166-K204 HydrophobicContact CE-CD 3.99Å; M166-K204 HydrophobicContact CG-CD 3.88Å; M166-K204 HydrophobicContact CG-CG 4.17Å; M166-K204 HydrophobicContact SD-CB 4.36Å; M166-K204 HydrophobicContact SD-CD 3.42Å; M166-K204 WeakPolarHBondContact SD-CD 3.3Å; M166-K204 WeakPolarHBondContact SD-CE 3.39Å; M166-K204 HydrophobicContact SD-CG 3.46Å; M166-K204 WeakPolarHBondContact SD-CG 3.43Å; E177-K204 VanDerWaalsContact CD-CE 3.5Å; E177-K204 VanDerWaalsContact OE1-CE 3.27Å; E177-K204 WeakPolarHBondContact OE1-CE 3.47Å; E177-K204 IonicContact OE1-NZ 3.7Å; E177-K204 PolarHBondContact OE1-NZ 2.97Å; E177-K204 IonicContact OE2-NZ 3.82Å; E177-K204 PolarHBondContact OE2-NZ 3.49Å; K204-R208 CarbonylContact C-O 3.58Å; K204-R208 WeakPolarHBondContact CA-O 3.3Å |
| 205 | L | 94.7 | Very high | 93 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.3 | 170.8 | 179.2 | 75.3 | 0 | 0 | 0 | 108.9 | H161 G162 L163 G207 R208 I210 | H161-L205 WeakPolarHBondContact O-CD1 3.37Å; G162-L205 WeakPolarHBondContact O-CA 3.3Å; L163-L205 HydrophobicContact CB-CD1 4.43Å; L163-L205 HydrophobicContact CD1-CB 4.05Å; L163-L205 HydrophobicContact CD1-CD1 4.21Å; L205-G207 PolarHBondContact O-N 3.48Å; L205-G207 VanDerWaalsContact O-N 3.15Å; L205-R208 PolarHBondContact N-O 3.45Å; L205-R208 WeakPolarHBondContact O-CB 3.48Å; L205-R208 PolarHBondContact O-N 2.87Å; L205-I210 HydrophobicContact CB-CD1 3.35Å; L205-I210 HydrophobicContact CB-CG1 3.86Å; L205-I210 HydrophobicContact CD2-CD1 3.88Å; L205-I210 HydrophobicContact CG-CD1 4.17Å |
| 206 | H | 91.8 | Very high | 93 | Very high | 150 Ų | 150 | 68.1 Ų | 68.1 | 69% | 0.694 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 42.8 | -178.6 | -59.5 | -58.9 | 0 | 0 | 0 | 113.1 | H161 G162 R208 | H161-H206 PolarHBondContact O-NE2 2.96Å; G162-H206 PolarHBondContact O-N 3.23Å; H206-R208 VanDerWaalsContact C-N 3.31Å; H206-R208 PolarHBondContact O-N 3.49Å |
| 207 | G | 89.8 | Confident | 93.1 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -6.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L205 | L205-G207 PolarHBondContact O-N 3.48Å; L205-G207 VanDerWaalsContact O-N 3.15Å |
| 208 | R | 93.8 | Very high | 93.2 | Very high | 202 Ų | 202 | 62.5 Ų | 62.5 | 76% | 0.762 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.6 | 174.2 | -175.5 | 176.7 | 178.8 | 174.7 | 0.4 | 111 | K204 L205 H206 I210 | K204-R208 CarbonylContact C-O 3.58Å; K204-R208 WeakPolarHBondContact CA-O 3.3Å; L205-R208 PolarHBondContact N-O 3.45Å; L205-R208 WeakPolarHBondContact O-CB 3.48Å; L205-R208 PolarHBondContact O-N 2.87Å; H206-R208 VanDerWaalsContact C-N 3.31Å; H206-R208 PolarHBondContact O-N 3.49Å; R208-I210 PolarHBondContact O-N 3.22Å |
| 209 | T | 93.3 | Very high | 93.1 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 120.6 | 175.7 | -47.5 | 0 | 0 | 0 | 0 | 110.8 | L212 | T209-L212 HydrophobicContact CG2-CD2 4.25Å |
| 210 | I | 93.3 | Very high | 92.6 | Very high | 112 Ų | 112 | 63 Ų | 63 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -41.9 | 172.3 | -63.6 | -174.4 | 0 | 0 | 0 | 109.8 | L163 Y203 L205 R208 | L163-I210 HydrophobicContact CD1-CD1 4.02Å; Y203-I210 PolarHBondContact O-N 3.27Å; L205-I210 HydrophobicContact CB-CD1 3.35Å; L205-I210 HydrophobicContact CB-CG1 3.86Å; L205-I210 HydrophobicContact CD2-CD1 3.88Å; L205-I210 HydrophobicContact CG-CD1 4.17Å; R208-I210 PolarHBondContact O-N 3.22Å |
| 211 | R | 94.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.5 | -179.1 | -172.7 | -169.6 | -168.6 | 133.5 | 22.4 | 108.9 | Q200 G202 Y203 | Q200-R211 VanDerWaalsContact NE2-CZ 3.34Å; G202-R211 CarbonylContact C-O 3.37Å; G202-R211 VanDerWaalsContact CA-O 3.22Å; G202-R211 WeakPolarHBondContact CA-O 3.32Å; Y203-R211 PolarHBondContact N-O 2.92Å; Y203-R211 PolarHBondContact O-N 3.31Å |
| 212 | L | 94.8 | Very high | 90.3 | Very high | 67 Ų | 67 | 70 Ų | 70 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | trans | -66.1 | 142.6 | 172.8 | -64 | 157.9 | 0 | 0 | 0 | 109.6 | H176 E177 E179 T209 | H176-L212 WeakPolarHBondContact O-CD2 3.23Å; E177-L212 WeakPolarHBondContact O-CA 3.47Å; E179-L212 HydrophobicContact CB-CB 3.98Å; E179-L212 HydrophobicContact CB-CD1 4.39Å; T209-L212 HydrophobicContact CG2-CD2 4.25Å | ||
| 213 | A | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P168 E177 H178 E179 Q200 V215 | P168-A213 HydrophobicContact CG-CB 3.89Å; E177-A213 PolarHBondContact O-N 2.86Å; H178-A213 CarbonylContact C-O 3.52Å; H178-A213 WeakPolarHBondContact CA-O 3.35Å; E179-A213 PolarHBondContact N-O 3.22Å; Q200-A213 WeakPolarHBondContact O-CA 3.26Å; A213-V215 HydrophobicContact CB-CG1 4.13Å; A213-V215 PolarHBondContact O-N 2.93Å |
| 214 | Q | 94.6 | Very high | 86.5 | Confident | 47 Ų | 47 | 89.8 Ų | 89.8 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.7 | 174.9 | -69.2 | -169.6 | -13.2 | 0 | 0 | 109.3 | E179 V181 V198 R199 Q200 | E179-Q214 HydrophobicContact CB-CG 4.37Å; E179-Q214 WeakPolarHBondContact O-CA 3.48Å; E179-Q214 WeakPolarHBondContact OE2-CG 3.29Å; E179-Q214 PolarHBondContact OE2-NE2 2.99Å; V181-Q214 HydrophobicContact CG2-CB 3.68Å; V181-Q214 HydrophobicContact CG2-CG 4.13Å; V198-Q214 CarbonylContact C-O 3.59Å; V198-Q214 WeakPolarHBondContact CA-O 3.4Å; R199-Q214 HydrophobicContact CB-CB 4.45Å; R199-Q214 PolarHBondContact N-O 3.17Å; Q200-Q214 HydrophobicContact CB-CB 3.91Å; Q200-Q214 HydrophobicContact CB-CG 4.16Å; Q200-Q214 PolarHBondContact N-O 3.4Å; Q200-Q214 PolarHBondContact O-N 3.18Å |
| 215 | V | 94 | Very high | 84 | Confident | 0 Ų | 0 | 99.5 Ų | 99.5 | 0% | 0 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.7 | -169.5 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | P168 Y173 H178 E179 V181 V195 L197 V198 A213 V217 | P168-V215 HydrophobicContact CG-CG1 3.87Å; Y173-V215 HydrophobicContact CD2-CG2 3.88Å; Y173-V215 HydrophobicContact CE2-CG2 3.99Å; H178-V215 HydrophobicContact CB-CG1 4.22Å; H178-V215 HydrophobicContact CB-CG2 3.73Å; E179-V215 PolarHBondContact O-N 3Å; V181-V215 PolarHBondContact N-O 2.9Å; V195-V215 HydrophobicContact CB-CB 4.4Å; V195-V215 HydrophobicContact CB-CG1 4.46Å; V195-V215 HydrophobicContact CG1-CB 3.7Å; V195-V215 HydrophobicContact CG1-CG1 3.66Å; V195-V215 HydrophobicContact CG2-CB 3.92Å; V195-V215 HydrophobicContact CG2-CG1 3.95Å; V195-V215 HydrophobicContact CG2-CG2 4.03Å; L197-V215 WeakPolarHBondContact O-CA 3.41Å; V198-V215 HydrophobicContact CG2-CG1 4.24Å; A213-V215 HydrophobicContact CB-CG1 4.13Å; A213-V215 PolarHBondContact O-N 2.93Å; V215-V217 HydrophobicContact CG2-CG2 4.13Å |
| 216 | E | 92.2 | Very high | 83.4 | Confident | 39 Ų | 39 | 101.2 Ų | 101.2 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.5 | 168.3 | -49.1 | -168 | 161.4 | 0 | 0 | 107.9 | C182 V184 A196 L197 | C182-E216 WeakPolarHBondContact O-CA 3.48Å; C182-E216 WeakPolarHBondContact SG-CG 3.25Å; C182-E216 PolarHBondContact SG-OE1 3.39Å; C182-E216 VanDerWaalsContact SG-OE1 3.35Å; V184-E216 HydrophobicContact CG2-CB 3.8Å; V184-E216 WeakPolarHBondContact CG2-OE2 3.43Å; A196-E216 PolarHBondContact N-O 3.05Å; L197-E216 HydrophobicContact CB-CB 4.25Å; L197-E216 HydrophobicContact CB-CG 4.29Å; L197-E216 PolarHBondContact N-O 2.83Å; L197-E216 PolarHBondContact O-N 3.09Å |
| 217 | V | 91.7 | Very high | 83 | Confident | 9 Ų | 9 | 98.6 Ų | 98.6 | 6% | 0.055 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.2 | -175.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | Y173 L180 C182 H183 V184 T194 V215 V219 | Y173-V217 HydrophobicContact CD2-CG2 3.65Å; Y173-V217 HydrophobicContact CE2-CG2 4.46Å; Y173-V217 HydrophobicContact CG-CG2 3.91Å; L180-V217 HydrophobicContact CD1-CB 3.64Å; L180-V217 HydrophobicContact CD1-CG2 3.49Å; L180-V217 VanDerWaalsContact CD1-CG2 3.49Å; C182-V217 PolarHBondContact O-N 2.98Å; C182-V217 VanDerWaalsContact O-N 3.11Å; H183-V217 WeakPolarHBondContact CA-O 3.37Å; V184-V217 PolarHBondContact N-O 2.92Å; T194-V217 WeakPolarHBondContact O-CA 3.23Å; V215-V217 HydrophobicContact CG2-CG2 4.13Å; V217-V219 PolarHBondContact O-N 2.93Å |
| 218 | A | 91.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 100.8 Ų | 100.8 | 1% | 0.008 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V184 A186 V190 P192 G193 T194 A196 | V184-A218 CarbonylContact O-C 3.57Å; V184-A218 WeakPolarHBondContact O-CA 3.42Å; A186-A218 HydrophobicContact CB-CB 4.14Å; V190-A218 HydrophobicContact CB-CB 4.48Å; V190-A218 HydrophobicContact CG1-CB 3.66Å; P192-A218 WeakPolarHBondContact CA-O 3.28Å; G193-A218 PolarHBondContact N-O 3.24Å; T194-A218 PolarHBondContact O-N 3.08Å; A196-A218 HydrophobicContact CB-CB 4.35Å |
| 219 | V | 88.6 | Confident | 81.9 | Confident | 61 Ų | 61 | 94.9 Ų | 94.9 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.6 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | H183 V184 A186 V217 S221 | H183-V219 HydrophobicContact CB-CB 4.4Å; H183-V219 HydrophobicContact CB-CG2 3.64Å; H183-V219 VanDerWaalsContact CG-CG2 3.47Å; H183-V219 WeakPolarHBondContact ND1-CG2 3.34Å; V184-V219 PolarHBondContact O-N 3.28Å; A186-V219 PolarHBondContact N-O 3.02Å; V217-V219 PolarHBondContact O-N 2.93Å; V219-S221 PolarHBondContact O-N 2.82Å |
| 220 | E | 82.2 | Confident | 81.2 | Confident | 147 Ų | 147 | 98.3 Ų | 98.3 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | trans | -59.7 | 125.8 | 173.7 | -168.4 | 164.7 | -158.4 | 0 | 0 | 109.9 | P192 Q222 | P192-E220 HydrophobicContact CB-CB 4.39Å; E220-Q222 PolarHBondContact O-N 3.43Å | ||
| 221 | S | 72.8 | Confident | 80.4 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | trans | -71.8 | 100 | -177.8 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | V219 R223 | V219-S221 PolarHBondContact O-N 2.82Å; S221-R223 PolarHBondContact O-N 2.97Å | ||
| 222 | Q | 63.5 | Low | 79.4 | Confident | 183 Ų | 183 | 96.3 Ų | 96.3 | 86% | 0.855 | 45% | 0.452 | S | S | * | . | trans | -67.1 | 98.6 | 168.2 | -74 | -177.1 | -18.6 | 0 | 0 | 108.3 | E220 R224 | E220-Q222 PolarHBondContact O-N 3.43Å; Q222-R224 PolarHBondContact O-N 3.28Å | ||
| 223 | R | 54.9 | Low | 78.2 | Confident | 229 Ų | 229 | 98.5 Ų | 98.5 | 86% | 0.864 | 46% | 0.46 | S | S | * | . | trans | -58.5 | 104.6 | 162.8 | -85.4 | -177.6 | 175.1 | 171.9 | -1 | 107 | S221 L225 | S221-R223 PolarHBondContact O-N 2.97Å; R223-L225 PolarHBondContact O-N 3.05Å; R223-L225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | R | 54.8 | Low | 76.8 | Confident | 246 Ų | 246 | 106.8 Ų | 106.8 | 93% | 0.928 | 50% | 0.498 | S | S | * | . | trans | -61.6 | 113 | 164.6 | -76.6 | -172.4 | 179.7 | -175.5 | 0.6 | 106.7 | Q222 | Q222-R224 PolarHBondContact O-N 3.28Š| ||
| 225 | L | 41.2 | Very low | 75.2 | Confident | 240 Ų | 240 | 112.2 Ų | 112.2 | 100% | 1.257 | 52% | 0.523 | S | S | * | . | trans | -66.6 | 0 | 170.5 | -67.9 | 170.1 | 0 | 0 | 0 | 110.3 | R223 | R223-L225 PolarHBondContact O-N 3.05Å; R223-L225 VanDerWaalsContact O-N 3.1Å |
Retrieved 225 of 225 residues in 94.3 ms
(Link to these results)