| 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 | 37.9 | Very low | 56.2 | Low | 243 Ų | 243 | 148.7 Ų | 148.7 | 100% | 1.197 | 72% | 0.72 | S | S | * | * | 0 | 119.3 | 0 | -74 | 178.8 | 175.7 | 0 | 0 | 108.7 | |||||
| 2 | R | 46.5 | Very low | 56.3 | Low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | trans | 53.7 | 94.2 | 156.7 | -59.2 | -171.9 | 174.4 | 174.3 | -0.9 | 119.2 | L4 | R2-L4 PolarHBondContact O-N 3.35Š| ||
| 3 | L | 52.9 | Low | 56.7 | Low | 178 Ų | 178 | 136.5 Ų | 136.5 | 93% | 0.932 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 117.1 | 152.2 | -75.9 | 148.1 | 0 | 0 | 0 | 109.1 | ||
| 4 | L | 60.7 | Low | 57.1 | Low | 140 Ų | 140 | 133.4 Ų | 133.4 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 133 | 168.6 | -111.7 | 86.9 | 0 | 0 | 0 | 108.6 | R2 | R2-L4 PolarHBondContact O-N 3.35Š|
| 5 | P | 60.3 | Low | 56.9 | Low | 68 Ų | 68 | 136.4 Ų | 136.4 | 44% | 0.442 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -86.5 | 129.6 | -174.5 | 36.1 | -37.4 | 0 | 0 | 0 | 111.2 | W7 L8 | P5-W7 VanDerWaalsContact CB-CD1 3.41Å; P5-W7 PolarHBondContact O-N 2.88Å; P5-L8 PolarHBondContact O-N 3.37Å |
| 6 | E | 58.7 | Low | 56.9 | Low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -15.2 | -176.4 | -74.5 | -95.3 | 101 | 0 | 0 | 115.9 | L8 L9 | E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 3.39Å |
| 7 | W | 60.3 | Low | 56.9 | Low | 152 Ų | 152 | 134.5 Ų | 134.5 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.4 | -20.1 | 178.3 | 67.1 | -91.6 | 0 | 0 | 0 | 113.9 | P5 L9 L10 L11 | P5-W7 VanDerWaalsContact CB-CD1 3.41Å; P5-W7 PolarHBondContact O-N 2.88Å; W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 3.2Å; W7-L10 PolarHBondContact O-N 3.35Å; W7-L11 HydrophobicContact CE3-CD1 3.46Å; W7-L11 VanDerWaalsContact CE3-CD1 3.46Å; W7-L11 HydrophobicContact CZ3-CD1 3.51Å; W7-L11 PolarHBondContact O-N 3.4Å |
| 8 | L | 59.7 | Low | 56.4 | Low | 71 Ų | 71 | 138.6 Ų | 138.6 | 37% | 0.372 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.2 | -31.2 | 179.1 | -144.1 | 79.8 | 0 | 0 | 0 | 111.9 | P5 E6 F12 | P5-L8 PolarHBondContact O-N 3.37Å; E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.44Å; L8-F12 HydrophobicContact CD1-CE2 4.43Å; L8-F12 HydrophobicContact CG-CD2 4.24Å; L8-F12 HydrophobicContact CG-CE2 4.28Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 3.47Å |
| 9 | L | 58.6 | Low | 55.9 | Low | 129 Ų | 129 | 139.4 Ų | 139.4 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.1 | -29.1 | 178.4 | -71.7 | 166.9 | 0 | 0 | 0 | 112.5 | E6 W7 G13 | E6-L9 PolarHBondContact O-N 3.39Å; W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 3.2Å; L9-G13 PolarHBondContact O-N 3.16Å |
| 10 | L | 60.5 | Low | 55.5 | Low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.4 | -29.4 | 178.4 | -69.8 | 170.5 | 0 | 0 | 0 | 113.1 | W7 | W7-L10 PolarHBondContact O-N 3.35Å |
| 11 | L | 62.1 | Low | 55.1 | Low | 116 Ų | 116 | 134.7 Ų | 134.7 | 61% | 0.607 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82 | -31.4 | 177.8 | -74.4 | 172.8 | 0 | 0 | 0 | 113.5 | W7 | W7-L11 HydrophobicContact CE3-CD1 3.46Å; W7-L11 VanDerWaalsContact CE3-CD1 3.46Å; W7-L11 HydrophobicContact CZ3-CD1 3.51Å; W7-L11 PolarHBondContact O-N 3.4Å |
| 12 | F | 57.7 | Low | 55.4 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -99.6 | -14.2 | -178.3 | -72.1 | -79.2 | 0 | 0 | 0 | 114.5 | L8 W15 L16 | L8-F12 HydrophobicContact CD1-CE2 4.43Å; L8-F12 HydrophobicContact CG-CD2 4.24Å; L8-F12 HydrophobicContact CG-CE2 4.28Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 3.47Å; F12-W15 PolarHBondContact O-N 3.05Å; F12-W15 VanDerWaalsContact O-N 3.16Å; F12-L16 PolarHBondContact O-N 3.12Å; F12-L16 VanDerWaalsContact O-N 3.12Å |
| 13 | G | 60.8 | Low | 55.3 | Low | 26 Ų | 26 | 119.9 Ų | 119.9 | 27% | 0.268 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -54.1 | -47.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L9 W15 L16 L17 | L9-G13 PolarHBondContact O-N 3.16Å; G13-W15 VanDerWaalsContact C-N 3.25Å; G13-W15 PolarHBondContact O-N 3.2Å; G13-L16 PolarHBondContact O-N 3.4Å; G13-L17 PolarHBondContact O-N 3.3Å |
| 14 | P | 62.5 | Low | 54.7 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.4 | -24.6 | 179.3 | -20.1 | 32 | 0 | 0 | 0 | 113.7 | ||
| 15 | W | 54.5 | Low | 53.9 | Low | 178 Ų | 178 | 120.7 Ų | 120.7 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.4 | -35.6 | -179.8 | -151.7 | 71.2 | 0 | 0 | 0 | 111.8 | F12 G13 K19 | F12-W15 PolarHBondContact O-N 3.05Å; F12-W15 VanDerWaalsContact O-N 3.16Å; G13-W15 VanDerWaalsContact C-N 3.25Å; G13-W15 PolarHBondContact O-N 3.2Å; W15-K19 PolarHBondContact O-N 3.47Å |
| 16 | L | 56.9 | Low | 52.5 | Low | 110 Ų | 110 | 122 Ų | 122 | 58% | 0.576 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.8 | -37.5 | 177.2 | -70.7 | 169.6 | 0 | 0 | 0 | 112.7 | F12 G13 R18 K19 A20 | F12-L16 PolarHBondContact O-N 3.12Å; F12-L16 VanDerWaalsContact O-N 3.12Å; G13-L16 PolarHBondContact O-N 3.4Å; L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 3.19Å; L16-K19 PolarHBondContact O-N 3.45Å; L16-A20 PolarHBondContact O-N 3.4Å |
| 17 | L | 56.2 | Low | 51.4 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.2 | -34.4 | 175 | -101.5 | 86.7 | 0 | 0 | 0 | 112.8 | G13 K19 A20 V21 | G13-L17 PolarHBondContact O-N 3.3Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.18Å; L17-A20 PolarHBondContact O-N 3.32Å; L17-V21 PolarHBondContact O-N 3.47Å |
| 18 | R | 49 | Very low | 50 | Low | 207 Ų | 207 | 122.3 Ų | 122.3 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.5 | -29.3 | 175.5 | -112.4 | -179.4 | -174.6 | -118.4 | 2.3 | 112.9 | L16 | L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 3.19Å |
| 19 | K | 46.7 | Very low | 48.7 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.6 | -31.4 | 178.4 | -132 | -174.9 | -175.3 | -172 | 0 | 112.5 | W15 L16 L17 | W15-K19 PolarHBondContact O-N 3.47Å; L16-K19 PolarHBondContact O-N 3.45Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.18Å |
| 20 | A | 48 | Very low | 47.7 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -71.6 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L16 L17 G23 | L16-A20 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.32Å; A20-G23 PolarHBondContact O-N 3.47Å |
| 21 | V | 46.6 | Very low | 46.4 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 70% | 0.697 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.5 | -17.6 | -179.6 | 151.3 | 0 | 0 | 0 | 0 | 114.3 | L17 | L17-V21 PolarHBondContact O-N 3.47Å |
| 22 | S | 45.1 | Very low | 45.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.9 | 173.5 | -87.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 23 | G | 44.2 | Very low | 43.9 | Very low | 58 Ų | 58 | 134.9 Ų | 134.9 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -99.8 | 3.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | A20 | A20-G23 PolarHBondContact O-N 3.47Š|
| 24 | Q | 40.6 | Very low | 42.3 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -127.6 | 20.8 | -168.8 | -78 | -65.9 | -46.7 | 0 | 0 | 114.9 | ||
| 25 | I | 42.7 | Very low | 40.8 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | trans | -115.8 | 76.3 | 166.1 | -51.2 | 176.7 | 0 | 0 | 0 | 108.5 | ||||
| 26 | A | 31.2 | Very low | 39.7 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -144.4 | 99.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 27 | E | 34.7 | Very low | 38.3 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | 45.2 | 113.8 | 147.9 | -147.8 | 80.2 | 87.2 | 0 | 0 | 120 | ||||
| 28 | S | 31.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -141.8 | 107.6 | 154.4 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | G | 33 | Very low | 36.2 | Very low | 68 Ų | 68 | 146.2 Ų | 146.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 95.9 | 78.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 30 | R | 36.8 | Very low | 35.3 | Very low | 240 Ų | 240 | 143.9 Ų | 143.9 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 153.6 | 141.6 | -75.6 | -176.7 | -174.4 | 180 | 1.6 | 109.7 | ||
| 31 | P | 34.1 | Very low | 34.6 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 137.4 | 144.1 | 29.1 | -17.5 | 0 | 0 | 0 | 110.7 | ||
| 32 | Q | 37.7 | Very low | 33.9 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 149.8 | 179.5 | -70.6 | -166.2 | -41.6 | 0 | 0 | 113.3 | ||
| 33 | Y | 28.5 | Very low | 33.2 | Very low | 217 Ų | 217 | 147.5 Ų | 147.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | -168.7 | 118.6 | 109.6 | 44.9 | -100.6 | 0 | 0 | 0 | 109.7 | |||||
| 34 | H | 27.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | 174.6 | 125.5 | 123.7 | -132.8 | -124.3 | 0 | 0 | 0 | 111 | |||||
| 35 | L | 31.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 74% | 0.738 | 83% | 0.831 | S | S | * | * | trans | -18.4 | 153.7 | 158.6 | -96.7 | 46.9 | 0 | 0 | 0 | 116.2 | ||||
| 36 | E | 31.5 | Very low | 31.2 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | cis | 175.8 | 159.4 | -7.6 | 179.8 | 178.8 | 133 | 0 | 0 | 104.7 | ||||
| 37 | L | 27.6 | Very low | 31 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | 122.8 | 106.1 | 155.1 | -64.3 | 160.9 | 0 | 0 | 0 | 113.4 | ||||
| 38 | R | 31.2 | Very low | 30.6 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 138.8 | -176.9 | -178.6 | -179.8 | -175.2 | 138.1 | -0.6 | 110.3 | ||
| 39 | P | 29.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86 | 135.6 | 168.9 | 31.6 | -28.1 | 0 | 0 | 0 | 110.9 | ||
| 40 | A | 28.4 | Very low | 30.2 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 137.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 41 | M | 32.3 | Very low | 29.8 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143 | 171.9 | -176.5 | 178.1 | -172.7 | 0 | 0 | 110.5 | ||
| 42 | A | 31.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -158 | 126 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 43 | G | 31.6 | Very low | 29.7 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -98.5 | 161.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 44 | G | 29.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | 81.5 | 120.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 45 | G | 28.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 113.1 | 100.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 46 | A | 26.2 | Very low | 29.8 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | 69.7 | 119.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 47 | R | 27.7 | Very low | 29.7 | Very low | 233 Ų | 233 | 129.7 Ų | 129.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | 89.1 | 114.7 | 126.1 | -160.6 | 165.6 | 173.8 | 175.9 | -4.3 | 122.1 | |||||
| 48 | S | 26.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | 65.9 | 119.1 | 144.3 | -72.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 49 | Q | 30.3 | Very low | 29.7 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | 178.2 | 107.5 | 113.6 | -90.5 | 164 | 62.1 | 0 | 0 | 109 | |||||
| 50 | H | 25.3 | Very low | 29.7 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | 74.8 | 94.9 | 96.3 | -136 | -63.3 | 0 | 0 | 0 | 115.5 | |||||
| 51 | L | 28.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | 16.3 | 158.8 | 146.1 | -73.8 | 148.4 | 0 | 0 | 0 | 122.3 | ||||
| 52 | P | 40.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | cis | -133.5 | 166 | 14.3 | 34.8 | -14.3 | 0 | 0 | 0 | 117.1 | ||||
| 53 | A | 29.8 | Very low | 30.2 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89 | 147.8 | 166 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 54 | P | 31.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 128.7 | 158.6 | 32.5 | -24.9 | 0 | 0 | 0 | 109.4 | ||
| 55 | G | 29.4 | Very low | 30.6 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99 | 150.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 56 | S | 27.7 | Very low | 31.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 170.8 | 144.1 | 140.8 | 67.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 57 | S | 30.1 | Very low | 31.8 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | cis | -175 | 133.3 | -13.7 | 41.7 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 58 | E | 30.5 | Very low | 32.8 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | 43.4 | 117.5 | 142.5 | -55.5 | -177.7 | 113.5 | 0 | 0 | 119.8 | ||||
| 59 | G | 28.1 | Very low | 33.6 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 163.7 | 95.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 60 | L | 30.8 | Very low | 34.7 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | 65.5 | 120.8 | 144.9 | -107.2 | 65.2 | 0 | 0 | 0 | 120.9 | ||||
| 61 | G | 30.6 | Very low | 35.4 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 93.7 | 82 | 139.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | A63 | G61-A63 PolarHBondContact O-N 3.38Š| ||
| 62 | T | 36.6 | Very low | 36 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -59.6 | 103.4 | 159.2 | 29.6 | 0 | 0 | 0 | 0 | 109.7 | R64 | T62-R64 PolarHBondContact O-N 3.11Š| ||
| 63 | A | 34.7 | Very low | 35.9 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -57.1 | 102.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | G61 S65 | G61-A63 PolarHBondContact O-N 3.38Å; A63-S65 PolarHBondContact O-N 3.47Å | ||
| 64 | R | 41.5 | Very low | 36.6 | Very low | 215 Ų | 215 | 134.2 Ų | 134.2 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 105.6 | 169.6 | -75.3 | -175.2 | -157.3 | -144.8 | 2.2 | 107.9 | T62 W66 | T62-R64 PolarHBondContact O-N 3.11Å; R64-W66 PolarHBondContact O-N 2.79Å | ||
| 65 | S | 29 | Very low | 37.3 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -53.4 | 115.9 | 154.7 | 168.8 | 0 | 0 | 0 | 0 | 108.7 | A63 S67 | A63-S65 PolarHBondContact O-N 3.47Å; S65-S67 PolarHBondContact O-N 3.22Å; S65-S67 VanDerWaalsContact O-N 3.15Å | ||
| 66 | W | 40.2 | Very low | 37.7 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | -79.4 | 95.5 | -179.9 | -69 | 5.1 | 0 | 0 | 0 | 110 | R64 W68 | R64-W66 PolarHBondContact O-N 2.79Å; W66-W68 HydrophobicContact CE3-CH2 4.16Å; W66-W68 AromaticContact CE3-CZ2 3.99Å; W66-W68 HydrophobicContact CE3-CZ2 3.99Å | ||
| 67 | S | 38.4 | Very low | 38.4 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 116.1 | 170.6 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | S65 A69 | S65-S67 PolarHBondContact O-N 3.22Å; S65-S67 VanDerWaalsContact O-N 3.15Å; S67-A69 PolarHBondContact O-N 2.76Å; S67-A69 VanDerWaalsContact O-N 3.12Å | ||
| 68 | W | 48.2 | Very low | 38.7 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 29.9 | -177.9 | -62.7 | 101.5 | 0 | 0 | 0 | 114.8 | W66 | W66-W68 HydrophobicContact CE3-CH2 4.16Å; W66-W68 AromaticContact CE3-CZ2 3.99Å; W66-W68 HydrophobicContact CE3-CZ2 3.99Å | ||
| 69 | A | 43.7 | Very low | 38.9 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -82.3 | 120.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S67 | S67-A69 PolarHBondContact O-N 2.76Å; S67-A69 VanDerWaalsContact O-N 3.12Å | ||
| 70 | W | 52.9 | Low | 39.3 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -67.9 | 144 | 177.7 | 46.2 | 91.7 | 0 | 0 | 0 | 111.1 | S72 | W70-S72 PolarHBondContact O-N 3.2Å; W70-S72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | P | 41.4 | Very low | 39.6 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 106.7 | 165.1 | -13.4 | 27.7 | 0 | 0 | 0 | 109.4 | N73 | P71-N73 PolarHBondContact O-N 2.61Š| ||
| 72 | S | 41.1 | Very low | 39.7 | Very low | 75 Ų | 75 | 136 Ų | 136 | 52% | 0.524 | 78% | 0.781 | S | S | . | * | trans | -72.9 | 117.4 | 164.4 | -64.2 | 0 | 0 | 0 | 0 | 108.4 | W70 H74 | W70-S72 PolarHBondContact O-N 3.2Å; W70-S72 VanDerWaalsContact O-N 3.11Å; S72-H74 VanDerWaalsContact C-N 3.34Å; S72-H74 PolarHBondContact O-N 2.99Å; S72-H74 PolarHBondContact O-ND1 3.22Å | ||
| 73 | N | 38.6 | Very low | 39.4 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -64 | 93.1 | 170.5 | -99.6 | -32.3 | 0 | 0 | 0 | 109.4 | P71 T75 | P71-N73 PolarHBondContact O-N 2.61Å; N73-T75 PolarHBondContact O-N 3.16Å | ||
| 74 | H | 43.5 | Very low | 39.4 | Very low | 167 Ų | 167 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -87.5 | 81.8 | 165.1 | 44 | -81.8 | 0 | 0 | 0 | 107.8 | S72 G76 | S72-H74 VanDerWaalsContact C-N 3.34Å; S72-H74 PolarHBondContact O-N 2.99Å; S72-H74 PolarHBondContact O-ND1 3.22Å; H74-G76 PolarHBondContact O-N 3.37Å; H74-G76 VanDerWaalsContact O-N 3.11Å | ||
| 75 | T | 46.9 | Very low | 39.1 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -81.4 | 68.7 | 153.8 | -31.9 | 0 | 0 | 0 | 0 | 106.8 | N73 | N73-T75 PolarHBondContact O-N 3.16Š| ||
| 76 | G | 38.3 | Very low | 39.3 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 99.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H74 | H74-G76 PolarHBondContact O-N 3.37Å; H74-G76 VanDerWaalsContact O-N 3.11Å | ||
| 77 | A | 41.3 | Very low | 39.2 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 0.6 | 114.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 78 | L | 36.8 | Very low | 39.2 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | trans | -113.5 | 84.3 | 146.1 | -151.8 | 96.6 | 0 | 0 | 0 | 107.7 | ||||
| 79 | A | 34.4 | Very low | 38.9 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -118.7 | 105.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 80 | K | 36.4 | Very low | 38.7 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -70 | 140.3 | 171.4 | -166.2 | 165.6 | -177.1 | 169.2 | 0 | 108.5 | ||||
| 81 | P | 36.8 | Very low | 38.3 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -84 | 130.3 | -179 | 32.8 | -29.6 | 0 | 0 | 0 | 109.7 | ||||
| 82 | G | 32.8 | Very low | 38.3 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 154.3 | 122.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 83 | A | 31.6 | Very low | 38.5 | Very low | 112 Ų | 112 | 133 Ų | 133 | 93% | 0.926 | 84% | 0.837 | S | S | * | * | trans | 108.2 | 134.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 84 | A | 34.1 | Very low | 38.9 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -90.8 | 161.1 | -155.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 85 | G | 35.6 | Very low | 39 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | 89.6 | 105.1 | 146 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 86 | G | 32 | Very low | 38.7 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | 173.2 | 115.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 87 | L | 37.7 | Very low | 38.8 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 157.6 | -179 | -81.8 | 103.4 | 0 | 0 | 0 | 114.2 | ||
| 88 | P | 38.7 | Very low | 39.6 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 125.6 | -171.2 | 31.8 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 89 | A | 41.5 | Very low | 39.9 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 141.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R91 | A89-R91 PolarHBondContact O-N 2.86Š|
| 90 | P | 40.6 | Very low | 40.2 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 127.2 | -171.6 | 28.4 | -33 | 0 | 0 | 0 | 112.4 | T92 | P90-T92 PolarHBondContact O-N 3.45Å; P90-T92 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 43.7 | Very low | 40.7 | Very low | 249 Ų | 249 | 137.8 Ų | 137.8 | 94% | 0.94 | 84% | 0.835 | S | S | * | * | trans | -63.2 | 104.9 | 171.3 | -87 | 177.7 | 165 | 139.9 | -4.4 | 110.4 | A89 K93 | A89-R91 PolarHBondContact O-N 2.86Å; R91-K93 PolarHBondContact O-N 3.42Å | ||
| 92 | T | 42.2 | Very low | 41.2 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 84% | 0.836 | S | S | * | * | trans | -68.6 | 120.3 | 160.1 | 30.1 | 0 | 0 | 0 | 0 | 109.2 | P90 R94 | P90-T92 PolarHBondContact O-N 3.45Å; P90-T92 VanDerWaalsContact O-N 3.11Å; T92-R94 PolarHBondContact O-N 2.9Å | ||
| 93 | K | 46 | Very low | 41.8 | Very low | 210 Ų | 210 | 143.2 Ų | 143.2 | 91% | 0.913 | 84% | 0.835 | S | S | * | * | trans | -54.8 | 95.3 | 172.3 | -88.1 | -170.7 | 175.3 | -178.8 | 0 | 110.2 | R91 K95 | R91-K93 PolarHBondContact O-N 3.42Å; K93-K95 PolarHBondContact O-N 3.06Å | ||
| 94 | R | 45.9 | Very low | 42.7 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -77.2 | 108.8 | 158.7 | -83.9 | -177.3 | 169.8 | 172.2 | -2.4 | 108 | T92 | T92-R94 PolarHBondContact O-N 2.9Š| ||
| 95 | K | 45.2 | Very low | 43.6 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -50.9 | 137.3 | 163.1 | -67.6 | 168.2 | 178.2 | 177.6 | 0 | 108.1 | K93 S97 | K93-K95 PolarHBondContact O-N 3.06Å; K95-S97 PolarHBondContact O-N 2.96Å | ||
| 96 | P | 40.5 | Very low | 44.8 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -62.4 | 111.4 | 173.4 | -12.1 | 25.5 | 0 | 0 | 0 | 107.5 | I98 | P96-I98 PolarHBondContact O-N 2.82Å; P96-I98 VanDerWaalsContact O-N 3.11Å | ||
| 97 | S | 42.1 | Very low | 46.3 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -63.5 | 114.5 | 173.4 | 55.4 | 0 | 0 | 0 | 0 | 107.8 | K95 K99 | K95-S97 PolarHBondContact O-N 2.96Å; S97-K99 PolarHBondContact O-N 3Å | ||
| 98 | I | 57.2 | Low | 47.5 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | -63.7 | 79.1 | 163.5 | -64.9 | 167.6 | 0 | 0 | 0 | 106.9 | P96 | P96-I98 PolarHBondContact O-N 2.82Å; P96-I98 VanDerWaalsContact O-N 3.11Å | ||
| 99 | K | 43.3 | Very low | 48.7 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -140.3 | 51.5 | 162.9 | -81.3 | -167 | 178 | -179.5 | 0 | 108.5 | S97 | S97-K99 PolarHBondContact O-N 3Š| ||
| 100 | A | 40 | Very low | 50.2 | Low | 80 Ų | 80 | 131.6 Ų | 131.6 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | trans | -82.5 | 100.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | R102 | A100-R102 PolarHBondContact O-N 2.03Š| ||
| 101 | A | 47 | Very low | 52.3 | Low | 106 Ų | 106 | 132 Ų | 132 | 88% | 0.876 | 68% | 0.681 | S | S | * | * | trans | -58.6 | 92 | 153.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | A103 | A101-A103 PolarHBondContact O-N 3.27Å; A101-A103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | R | 47.1 | Very low | 54.3 | Low | 224 Ų | 224 | 121.4 Ų | 121.4 | 85% | 0.845 | 64% | 0.642 | S | S | * | * | trans | -56.8 | 117.6 | -171.2 | -71.6 | -177.2 | 175 | -166 | -1.1 | 106.7 | A100 K104 | A100-R102 PolarHBondContact O-N 2.03Å; R102-K104 PolarHBondContact O-N 2.8Å | ||
| 103 | A | 46.3 | Very low | 56.5 | Low | 93 Ų | 93 | 121.7 Ų | 121.7 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | trans | -45.5 | 115.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | A101 K105 | A101-A103 PolarHBondContact O-N 3.27Å; A101-A103 VanDerWaalsContact O-N 3.09Å; A103-K105 PolarHBondContact O-N 3.49Å | ||
| 104 | K | 50.9 | Low | 58.6 | Low | 187 Ų | 187 | 112.9 Ų | 112.9 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | trans | -65.5 | 91.1 | -171.6 | -170.3 | 168 | -176.7 | 176.2 | 0 | 106.6 | R102 I106 | R102-K104 PolarHBondContact O-N 2.8Å; K104-I106 WeakPolarHBondContact O-CG1 3.4Å; K104-I106 PolarHBondContact O-N 3.06Å | ||
| 105 | K | 53.2 | Low | 60.7 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | trans | -67.3 | 105.2 | 176 | -161.3 | -161.4 | 177.9 | -175.4 | 0 | 105.9 | A103 F107 G108 | A103-K105 PolarHBondContact O-N 3.49Å; K105-F107 WeakPolarHBondContact CD-O 3.49Å; K105-F107 WeakPolarHBondContact CE-O 3.23Å; K105-F107 WeakPolarHBondContact CG-O 3.4Å; K105-F107 PolarHBondContact O-N 3.08Å; K105-G108 PolarHBondContact NZ-O 3.16Å | ||
| 106 | I | 60.1 | Low | 62.7 | Low | 72 Ų | 72 | 100.1 Ų | 100.1 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -78.1 | -17.4 | -166.9 | -17.1 | 173.9 | 0 | 0 | 0 | 111.6 | K104 D131 | K104-I106 WeakPolarHBondContact O-CG1 3.4Å; K104-I106 PolarHBondContact O-N 3.06Å; I106-D131 HydrophobicContact CD1-CB 3.28Å; I106-D131 WeakPolarHBondContact CD1-OD1 3.33Å; I106-D131 WeakPolarHBondContact CD1-OD2 3.11Å; I106-D131 HydrophobicContact CG1-CB 4.49Å |
| 107 | F | 63.6 | Low | 64.9 | Low | 12 Ų | 12 | 98.8 Ų | 98.8 | 5% | 0.053 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -128.3 | 138.3 | 173 | -70.4 | -72.1 | 0 | 0 | 0 | 109.1 | K105 W109 I129 F137 | K105-F107 WeakPolarHBondContact CD-O 3.49Å; K105-F107 WeakPolarHBondContact CE-O 3.23Å; K105-F107 WeakPolarHBondContact CG-O 3.4Å; K105-F107 PolarHBondContact O-N 3.08Å; F107-W109 HydrophobicContact CB-CG 4.46Å; F107-W109 HydrophobicContact CD1-CZ2 4.1Å; F107-W109 AromaticContact CD1-NE1 3.67Å; F107-W109 HydrophobicContact CG-CZ2 4.37Å; F107-W109 PolarHBondContact O-N 3.43Å; F107-I129 HydrophobicContact CB-CD1 4.17Å; F107-I129 HydrophobicContact CD2-CD1 4.36Å; F107-I129 HydrophobicContact CD2-CG2 4.32Å; F107-I129 HydrophobicContact CG-CD1 4.35Å; F107-F137 HydrophobicContact CE1-CZ 4.46Å; F107-F137 AromaticContact CE2-CD1 3.77Å; F107-F137 HydrophobicContact CE2-CD1 3.77Å; F107-F137 AromaticContact CE2-CD2 3.95Å; F107-F137 HydrophobicContact CE2-CD2 3.95Å; F107-F137 AromaticContact CE2-CE1 3.77Å; F107-F137 HydrophobicContact CE2-CE1 3.77Å; F107-F137 AromaticContact CE2-CE2 3.94Å; F107-F137 HydrophobicContact CE2-CE2 3.94Å; F107-F137 AromaticContact CE2-CG 3.85Å; F107-F137 HydrophobicContact CE2-CG 3.85Å; F107-F137 AromaticContact CE2-CZ 3.84Å; F107-F137 HydrophobicContact CE2-CZ 3.84Å; F107-F137 HydrophobicContact CZ-CD1 4.01Å; F107-F137 HydrophobicContact CZ-CD2 4.42Å; F107-F137 AromaticContact CZ-CE1 3.51Å; F107-F137 HydrophobicContact CZ-CE1 3.51Å; F107-F137 AromaticContact CZ-CE2 3.97Å; F107-F137 HydrophobicContact CZ-CE2 3.97Å; F107-F137 HydrophobicContact CZ-CG 4.43Å; F107-F137 AromaticContact CZ-CZ 3.47Å; F107-F137 HydrophobicContact CZ-CZ 3.47Å; F107-F137 VanDerWaalsContact CZ-CZ 3.47Å |
| 108 | G | 61.7 | Low | 66.9 | Low | 50 Ų | 50 | 96.3 Ų | 96.3 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -64.5 | -20 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | K105 D294 | K105-G108 PolarHBondContact NZ-O 3.16Å; G108-D294 PolarHBondContact N-OD1 2.86Å |
| 109 | W | 65.7 | Low | 68.1 | Low | 34 Ų | 34 | 96.4 Ų | 96.4 | 13% | 0.129 | 51% | 0.507 | C | S | . | . | trans | -108.1 | 144.4 | -177.4 | 49.4 | -70.2 | 0 | 0 | 0 | 110.3 | F107 I129 I274 I276 P293 D294 | F107-W109 HydrophobicContact CB-CG 4.46Å; F107-W109 HydrophobicContact CD1-CZ2 4.1Å; F107-W109 AromaticContact CD1-NE1 3.67Å; F107-W109 HydrophobicContact CG-CZ2 4.37Å; F107-W109 PolarHBondContact O-N 3.43Å; W109-I129 HydrophobicContact CD2-CD1 3.79Å; W109-I129 HydrophobicContact CE3-CD1 3.46Å; W109-I129 VanDerWaalsContact CE3-CD1 3.46Å; W109-I129 HydrophobicContact CE3-CG1 4.31Å; W109-I129 HydrophobicContact CH2-CD1 3.47Å; W109-I129 VanDerWaalsContact CH2-CD1 3.47Å; W109-I129 HydrophobicContact CH2-CG1 4.15Å; W109-I129 HydrophobicContact CZ2-CD1 3.8Å; W109-I129 HydrophobicContact CZ3-CD1 3.29Å; W109-I129 HydrophobicContact CZ3-CG1 3.84Å; W109-I274 HydrophobicContact CH2-CD1 3.61Å; W109-I274 HydrophobicContact CH2-CG1 3.94Å; W109-I274 HydrophobicContact CZ2-CD1 3.68Å; W109-I274 HydrophobicContact CZ2-CG1 3.58Å; W109-I276 HydrophobicContact CZ3-CD1 4.01Å; W109-P293 HydrophobicContact CB-CB 3.85Å; W109-P293 HydrophobicContact CD2-CB 3.61Å; W109-P293 HydrophobicContact CD2-CG 3.66Å; W109-P293 HydrophobicContact CE3-CB 4.3Å; W109-P293 HydrophobicContact CE3-CG 3.9Å; W109-P293 HydrophobicContact CG-CB 3.34Å; W109-P293 HydrophobicContact CG-CG 3.96Å; W109-P293 HydrophobicContact CZ2-CG 4.41Å; W109-P293 HydrophobicContact CZ3-CG 4.38Å; W109-D294 VanDerWaalsContact CD1-OD1 3.29Å; W109-D294 VanDerWaalsContact NE1-CG 3.33Å; W109-D294 PolarHBondContact NE1-OD2 3.48Å | ||
| 110 | G | 72.9 | Confident | 69.7 | Low | 33 Ų | 33 | 94 Ų | 94 | 34% | 0.34 | 50% | 0.496 | S | S | . | . | trans | -104.9 | -98.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 111 | D | 83.4 | Confident | 71.9 | Confident | 133 Ų | 133 | 90.5 Ų | 90.5 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | trans | -87.3 | 136.3 | -179.9 | -55.4 | -43.1 | 0 | 0 | 0 | 111 | G127 | D111-G127 WeakPolarHBondContact CA-O 3.31Š| ||
| 112 | F | 86.4 | Confident | 73.8 | Confident | 26 Ų | 26 | 87 Ų | 87 | 11% | 0.114 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.9 | 174.2 | 172.3 | -100.4 | 0 | 0 | 0 | 109.8 | F114 V125 T126 G127 I276 V278 V291 | F112-F114 HydrophobicContact CE1-CB 3.66Å; F112-F114 HydrophobicContact CE2-CB 4.36Å; F112-F114 HydrophobicContact CZ-CB 3.48Å; F112-F114 VanDerWaalsContact CZ-CB 3.48Å; F112-F114 HydrophobicContact CZ-CG 4.34Å; F112-V125 HydrophobicContact CD1-CG1 4.36Å; F112-V125 HydrophobicContact CE1-CB 4.29Å; F112-V125 HydrophobicContact CE1-CG1 3.87Å; F112-T126 CarbonylContact O-C 3.59Å; F112-T126 VanDerWaalsContact O-CA 3.32Å; F112-T126 WeakPolarHBondContact O-CA 3.39Å; F112-G127 PolarHBondContact N-O 2.9Å; F112-G127 PolarHBondContact O-N 2.75Å; F112-I276 HydrophobicContact CB-CD1 4.08Å; F112-I276 HydrophobicContact CD1-CD1 4.2Å; F112-I276 HydrophobicContact CD2-CD1 3.7Å; F112-I276 HydrophobicContact CE1-CG2 4.35Å; F112-I276 HydrophobicContact CE2-CD1 4.14Å; F112-I276 HydrophobicContact CG-CD1 3.72Å; F112-I276 HydrophobicContact CZ-CG2 4.35Å; F112-V278 HydrophobicContact CZ-CG2 4.48Å; F112-V291 HydrophobicContact CE2-CB 4.46Å; F112-V291 HydrophobicContact CE2-CG1 4.45Å; F112-V291 HydrophobicContact CE2-CG2 4.38Å |
| 113 | Y | 89 | Confident | 75.9 | Confident | 137 Ų | 137 | 76.3 Ų | 76.3 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 123.3 | 177.7 | -173.2 | -93 | 0 | 0 | 0 | 110.2 | R115 L124 T126 | Y113-R115 HydrophobicContact CE1-CB 3.76Å; Y113-R115 PolarHBondContact OH-NE 3.11Å; Y113-R115 PolarHBondContact OH-NH2 2.97Å; Y113-L124 HydrophobicContact CD2-CD1 4.02Å; Y113-L124 HydrophobicContact CE1-CD1 4.25Å; Y113-L124 HydrophobicContact CE2-CD1 3.3Å; Y113-L124 VanDerWaalsContact CZ-CD1 3.45Å; Y113-T126 HydrophobicContact CD2-CG2 3.87Å; Y113-T126 HydrophobicContact CE2-CG2 4.2Å |
| 114 | F | 89 | Confident | 78.1 | Confident | 25 Ų | 25 | 74 Ų | 74 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.6 | 177.5 | 174.7 | -107.8 | 0 | 0 | 0 | 109.7 | F112 V116 L123 L124 V125 V278 L287 Q289 | F112-F114 HydrophobicContact CE1-CB 3.66Å; F112-F114 HydrophobicContact CE2-CB 4.36Å; F112-F114 HydrophobicContact CZ-CB 3.48Å; F112-F114 VanDerWaalsContact CZ-CB 3.48Å; F112-F114 HydrophobicContact CZ-CG 4.34Å; F114-V116 HydrophobicContact CE1-CG2 3.64Å; F114-V116 HydrophobicContact CE2-CG2 3.78Å; F114-V116 HydrophobicContact CZ-CG2 3.19Å; F114-L123 HydrophobicContact CD1-CD2 4.25Å; F114-L123 HydrophobicContact CE1-CD2 3.81Å; F114-L124 CarbonylContact O-C 3.57Å; F114-V125 HydrophobicContact CB-CB 4.23Å; F114-V125 HydrophobicContact CD1-CB 4.33Å; F114-V125 HydrophobicContact CD1-CG2 4.09Å; F114-V125 PolarHBondContact N-O 2.63Å; F114-V125 PolarHBondContact O-N 2.9Å; F114-V278 HydrophobicContact CD1-CG1 4.27Å; F114-V278 HydrophobicContact CE1-CG1 4.1Å; F114-L287 HydrophobicContact CE1-CD2 3.66Å; F114-L287 HydrophobicContact CZ-CD2 3.57Å; F114-Q289 VanDerWaalsContact CD2-OE1 3.26Å |
| 115 | R | 89.3 | Confident | 80.1 | Confident | 123 Ų | 123 | 65 Ų | 65 | 46% | 0.464 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.2 | -176.1 | 175.9 | 179.7 | -76.5 | -124.3 | 10.7 | 109.7 | Y113 H117 L123 L124 | Y113-R115 HydrophobicContact CE1-CB 3.76Å; Y113-R115 PolarHBondContact OH-NE 3.11Å; Y113-R115 PolarHBondContact OH-NH2 2.97Å; R115-H117 VanDerWaalsContact CD-CD2 3.43Å; R115-H117 WeakPolarHBondContact CD-CD2 3.08Å; R115-H117 WeakPolarHBondContact CD-NE2 3.37Å; R115-H117 WeakPolarHBondContact CG-CD2 3.43Å; R115-H117 WeakPolarHBondContact CG-NE2 3.06Å; R115-H117 PolarHBondContact NH1-NE2 3.22Å; R115-H117 VanDerWaalsContact NH1-NE2 3.16Å; R115-L123 CarbonylContact C-O 3.58Å; R115-L123 VanDerWaalsContact CA-O 3.3Å; R115-L123 WeakPolarHBondContact CA-O 3.39Å; R115-L124 HydrophobicContact CB-CD1 4.22Å |
| 116 | V | 88.2 | Confident | 82 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.7 | 174 | 179 | 0 | 0 | 0 | 0 | 108.2 | F114 T118 F121 S122 L123 L287 | F114-V116 HydrophobicContact CE1-CG2 3.64Å; F114-V116 HydrophobicContact CE2-CG2 3.78Å; F114-V116 HydrophobicContact CZ-CG2 3.19Å; V116-T118 HydrophobicContact CG1-CG2 4.35Å; V116-F121 HydrophobicContact CB-CE1 4.15Å; V116-F121 HydrophobicContact CG1-CD1 4.21Å; V116-F121 HydrophobicContact CG1-CE1 3.81Å; V116-S122 WeakPolarHBondContact O-CA 3.3Å; V116-L123 PolarHBondContact N-O 3.3Å; V116-L123 PolarHBondContact O-N 3.11Å; V116-L287 HydrophobicContact CG2-CD2 4.29Å |
| 117 | H | 87.3 | Confident | 83.5 | Confident | 97 Ų | 97 | 57.5 Ų | 57.5 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.1 | 174.9 | -71.9 | -80.8 | 0 | 0 | 0 | 109.4 | R115 F121 S122 | R115-H117 VanDerWaalsContact CD-CD2 3.43Å; R115-H117 WeakPolarHBondContact CD-CD2 3.08Å; R115-H117 WeakPolarHBondContact CD-NE2 3.37Å; R115-H117 WeakPolarHBondContact CG-CD2 3.43Å; R115-H117 WeakPolarHBondContact CG-NE2 3.06Å; R115-H117 PolarHBondContact NH1-NE2 3.22Å; R115-H117 VanDerWaalsContact NH1-NE2 3.16Å; H117-F121 CarbonylContact C-O 3.48Å; H117-S122 PolarHBondContact CE1-OG 2.83Å; H117-S122 WeakPolarHBondContact ND1-CB 3.15Å; H117-S122 PolarHBondContact ND1-OG 3.26Å |
| 118 | T | 83.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | trans | -138.4 | 178.9 | 175.3 | 67.6 | 0 | 0 | 0 | 0 | 108.1 | V116 K120 F121 Y285 | V116-T118 HydrophobicContact CG1-CG2 4.35Å; T118-K120 PolarHBondContact O-N 2.76Å; T118-F121 HydrophobicContact CG2-CD1 4.24Å; T118-F121 PolarHBondContact N-O 3.29Å; T118-F121 WeakPolarHBondContact OG1-CA 3.17Å; T118-F121 VanDerWaalsContact OG1-CB 3.23Å; T118-F121 WeakPolarHBondContact OG1-CB 3.43Å; T118-F121 PolarHBondContact OG1-N 3.15Å; T118-F121 PolarHBondContact OG1-O 3.1Å; T118-Y285 HydrophobicContact CG2-CD1 4.37Å; T118-Y285 HydrophobicContact CG2-CE1 4.02Å | ||
| 119 | L | 81.4 | Confident | 86 | Confident | 172 Ų | 172 | 61.6 Ų | 61.6 | 90% | 0.901 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -58.6 | -32.7 | -177.2 | -61.7 | 175 | 0 | 0 | 0 | 114 | ||
| 120 | K | 78.5 | Confident | 87.1 | Confident | 145 Ų | 145 | 62.2 Ų | 62.2 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -124.9 | -7.6 | -176 | -63.1 | -175.3 | -176.1 | 172.2 | 0 | 113.9 | T118 S147 D284 | T118-K120 PolarHBondContact O-N 2.76Å; K120-S147 WeakPolarHBondContact O-CB 3.3Å; K120-D284 IonicContact NZ-OD2 3.82Å |
| 121 | F | 84.5 | Confident | 87.8 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -129.9 | 125.7 | -175.9 | 160.5 | -113.8 | 0 | 0 | 0 | 111.1 | V116 H117 T118 L123 S147 F280 Y285 | V116-F121 HydrophobicContact CB-CE1 4.15Å; V116-F121 HydrophobicContact CG1-CD1 4.21Å; V116-F121 HydrophobicContact CG1-CE1 3.81Å; H117-F121 CarbonylContact C-O 3.48Å; T118-F121 HydrophobicContact CG2-CD1 4.24Å; T118-F121 PolarHBondContact N-O 3.29Å; T118-F121 WeakPolarHBondContact OG1-CA 3.17Å; T118-F121 VanDerWaalsContact OG1-CB 3.23Å; T118-F121 WeakPolarHBondContact OG1-CB 3.43Å; T118-F121 PolarHBondContact OG1-N 3.15Å; T118-F121 PolarHBondContact OG1-O 3.1Å; F121-L123 HydrophobicContact CD2-CB 4.41Å; F121-L123 HydrophobicContact CE1-CB 3.99Å; F121-L123 HydrophobicContact CE2-CB 3.49Å; F121-L123 VanDerWaalsContact CE2-CB 3.49Å; F121-L123 HydrophobicContact CE2-CD2 4.47Å; F121-L123 HydrophobicContact CE2-CG 4.44Å; F121-L123 HydrophobicContact CZ-CB 3.25Å; F121-L123 HydrophobicContact CZ-CD2 3.75Å; F121-L123 HydrophobicContact CZ-CG 4.07Å; F121-S147 WeakPolarHBondContact CD2-OG 3.49Å; F121-F280 HydrophobicContact CD1-CD1 4.48Å; F121-F280 HydrophobicContact CD1-CE1 4.13Å; F121-F280 HydrophobicContact CD2-CD1 4.32Å; F121-F280 AromaticContact CD2-CE1 3.54Å; F121-F280 HydrophobicContact CD2-CE1 3.54Å; F121-F280 HydrophobicContact CD2-CE2 4.18Å; F121-F280 AromaticContact CD2-CZ 3.46Å; F121-F280 HydrophobicContact CD2-CZ 3.46Å; F121-F280 VanDerWaalsContact CD2-CZ 3.46Å; F121-F280 AromaticContact CE1-CD1 3.85Å; F121-F280 HydrophobicContact CE1-CD1 3.85Å; F121-F280 AromaticContact CE1-CE1 3.91Å; F121-F280 HydrophobicContact CE1-CE1 3.91Å; F121-F280 AromaticContact CE2-CD1 3.61Å; F121-F280 HydrophobicContact CE2-CD1 3.61Å; F121-F280 AromaticContact CE2-CD2 3.84Å; F121-F280 HydrophobicContact CE2-CD2 3.84Å; F121-F280 AromaticContact CE2-CE1 3.21Å; F121-F280 HydrophobicContact CE2-CE1 3.21Å; F121-F280 AromaticContact CE2-CE2 3.49Å; F121-F280 HydrophobicContact CE2-CE2 3.49Å; F121-F280 VanDerWaalsContact CE2-CE2 3.49Å; F121-F280 AromaticContact CE2-CG 3.89Å; F121-F280 HydrophobicContact CE2-CG 3.89Å; F121-F280 AromaticContact CE2-CZ 3.16Å; F121-F280 HydrophobicContact CE2-CZ 3.16Å; F121-F280 AromaticContact CG-CE1 3.91Å; F121-F280 HydrophobicContact CG-CE1 3.91Å; F121-F280 HydrophobicContact CG-CZ 4.26Å; F121-F280 HydrophobicContact CZ-CB 4.41Å; F121-F280 AromaticContact CZ-CD1 3.3Å; F121-F280 HydrophobicContact CZ-CD1 3.3Å; F121-F280 HydrophobicContact CZ-CD2 4.04Å; F121-F280 AromaticContact CZ-CE1 3.39Å; F121-F280 HydrophobicContact CZ-CE1 3.39Å; F121-F280 HydrophobicContact CZ-CE2 4.13Å; F121-F280 AromaticContact CZ-CG 3.63Å; F121-F280 HydrophobicContact CZ-CG 3.63Å; F121-F280 AromaticContact CZ-CZ 3.82Å; F121-F280 HydrophobicContact CZ-CZ 3.82Å; F121-Y285 HydrophobicContact CB-CD2 4.15Å; F121-Y285 HydrophobicContact CB-CE2 4.45Å | ||
| 122 | S | 88.8 | Confident | 87.9 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.9 | 170.4 | 153.3 | 0 | 0 | 0 | 0 | 107 | V116 H117 S145 S146 | V116-S122 WeakPolarHBondContact O-CA 3.3Å; H117-S122 PolarHBondContact CE1-OG 2.83Å; H117-S122 WeakPolarHBondContact ND1-CB 3.15Å; H117-S122 PolarHBondContact ND1-OG 3.26Å; S122-S145 VanDerWaalsContact O-CA 3.24Å; S122-S145 WeakPolarHBondContact O-CA 3.26Å; S122-S146 PolarHBondContact O-N 2.92Å |
| 123 | L | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.1 | 173.8 | 172.1 | 65.7 | 0 | 0 | 0 | 109.9 | F114 R115 V116 F121 V125 N144 L151 L287 | F114-L123 HydrophobicContact CD1-CD2 4.25Å; F114-L123 HydrophobicContact CE1-CD2 3.81Å; R115-L123 CarbonylContact C-O 3.58Å; R115-L123 VanDerWaalsContact CA-O 3.3Å; R115-L123 WeakPolarHBondContact CA-O 3.39Å; V116-L123 PolarHBondContact N-O 3.3Å; V116-L123 PolarHBondContact O-N 3.11Å; F121-L123 HydrophobicContact CD2-CB 4.41Å; F121-L123 HydrophobicContact CE1-CB 3.99Å; F121-L123 HydrophobicContact CE2-CB 3.49Å; F121-L123 VanDerWaalsContact CE2-CB 3.49Å; F121-L123 HydrophobicContact CE2-CD2 4.47Å; F121-L123 HydrophobicContact CE2-CG 4.44Å; F121-L123 HydrophobicContact CZ-CB 3.25Å; F121-L123 HydrophobicContact CZ-CD2 3.75Å; F121-L123 HydrophobicContact CZ-CG 4.07Å; L123-V125 HydrophobicContact CD1-CG2 3.8Å; L123-V125 HydrophobicContact CD2-CG2 4.17Å; L123-V125 HydrophobicContact CG-CG2 4Å; L123-N144 WeakPolarHBondContact CA-O 3.07Å; L123-L151 HydrophobicContact CD1-CD1 3.63Å; L123-L151 HydrophobicContact CD1-CD2 3.49Å; L123-L151 VanDerWaalsContact CD1-CD2 3.49Å; L123-L151 HydrophobicContact CD1-CG 4.18Å; L123-L151 HydrophobicContact CD2-CD1 3.47Å; L123-L151 VanDerWaalsContact CD2-CD1 3.47Å; L123-L151 HydrophobicContact CG-CD1 4.2Å; L123-L287 HydrophobicContact CD2-CD2 4.35Å |
| 124 | L | 92.6 | Very high | 87.4 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119 | 169.9 | 174.6 | 62.1 | 0 | 0 | 0 | 108.8 | Y113 F114 R115 T126 H143 N144 | Y113-L124 HydrophobicContact CD2-CD1 4.02Å; Y113-L124 HydrophobicContact CE1-CD1 4.25Å; Y113-L124 HydrophobicContact CE2-CD1 3.3Å; Y113-L124 VanDerWaalsContact CZ-CD1 3.45Å; F114-L124 CarbonylContact O-C 3.57Å; R115-L124 HydrophobicContact CB-CD1 4.22Å; L124-T126 HydrophobicContact CD1-CG2 4.15Å; L124-T126 HydrophobicContact CG-CG2 4.25Å; L124-H143 CarbonylContact O-C 3.58Å; L124-H143 WeakPolarHBondContact O-CA 3.41Å; L124-N144 PolarHBondContact N-O 3.48Å; L124-N144 PolarHBondContact O-N 2.8Å |
| 125 | V | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.2 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | F112 F114 L123 H143 L151 V153 V278 | F112-V125 HydrophobicContact CD1-CG1 4.36Å; F112-V125 HydrophobicContact CE1-CB 4.29Å; F112-V125 HydrophobicContact CE1-CG1 3.87Å; F114-V125 HydrophobicContact CB-CB 4.23Å; F114-V125 HydrophobicContact CD1-CB 4.33Å; F114-V125 HydrophobicContact CD1-CG2 4.09Å; F114-V125 PolarHBondContact N-O 2.63Å; F114-V125 PolarHBondContact O-N 2.9Å; L123-V125 HydrophobicContact CD1-CG2 3.8Å; L123-V125 HydrophobicContact CD2-CG2 4.17Å; L123-V125 HydrophobicContact CG-CG2 4Å; V125-H143 HydrophobicContact CB-CB 4.48Å; V125-H143 HydrophobicContact CG2-CB 3.96Å; V125-L151 HydrophobicContact CG2-CD2 4.16Å; V125-V153 HydrophobicContact CG1-CG1 4.22Å; V125-V153 HydrophobicContact CG1-CG2 3.89Å; V125-V153 HydrophobicContact CG2-CG2 4.16Å; V125-V278 HydrophobicContact CG2-CG1 4.39Å |
| 126 | T | 92.9 | Very high | 87.1 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.9 | 174.9 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | F112 Y113 L124 F141 R142 | F112-T126 CarbonylContact O-C 3.59Å; F112-T126 VanDerWaalsContact O-CA 3.32Å; F112-T126 WeakPolarHBondContact O-CA 3.39Å; Y113-T126 HydrophobicContact CD2-CG2 3.87Å; Y113-T126 HydrophobicContact CE2-CG2 4.2Å; L124-T126 HydrophobicContact CD1-CG2 4.15Å; L124-T126 HydrophobicContact CG-CG2 4.25Å; T126-F141 CarbonylContact O-C 3Å; T126-F141 WeakPolarHBondContact O-CA 3.5Å; T126-R142 PolarHBondContact N-O 2.87Å; T126-R142 PolarHBondContact O-N 3.18Å; T126-R142 PolarHBondContact OG1-O 2.85Å |
| 127 | G | 92.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D111 F112 Y140 | D111-G127 WeakPolarHBondContact CA-O 3.31Å; F112-G127 PolarHBondContact N-O 2.9Å; F112-G127 PolarHBondContact O-N 2.75Å; G127-Y140 CarbonylContact C-O 3.52Å; G127-Y140 VanDerWaalsContact CA-O 3.23Å; G127-Y140 WeakPolarHBondContact CA-O 3.38Å |
| 128 | K | 89.3 | Confident | 87.3 | Confident | 114 Ų | 114 | 56 Ų | 56 | 50% | 0.496 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.1 | 172.8 | -177.5 | 179.4 | -179.9 | -178.5 | 0 | 110.3 | V139 Y140 | K128-V139 CarbonylContact O-C 3.48Å; K128-V139 WeakPolarHBondContact O-CA 3.45Å; K128-Y140 PolarHBondContact N-O 3.33Å; K128-Y140 PolarHBondContact O-N 3.1Å |
| 129 | I | 88.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.4 | 174.1 | -47.1 | 173 | 0 | 0 | 0 | 109.3 | F107 W109 F137 S138 V139 | F107-I129 HydrophobicContact CB-CD1 4.17Å; F107-I129 HydrophobicContact CD2-CD1 4.36Å; F107-I129 HydrophobicContact CD2-CG2 4.32Å; F107-I129 HydrophobicContact CG-CD1 4.35Å; W109-I129 HydrophobicContact CD2-CD1 3.79Å; W109-I129 HydrophobicContact CE3-CD1 3.46Å; W109-I129 VanDerWaalsContact CE3-CD1 3.46Å; W109-I129 HydrophobicContact CE3-CG1 4.31Å; W109-I129 HydrophobicContact CH2-CD1 3.47Å; W109-I129 VanDerWaalsContact CH2-CD1 3.47Å; W109-I129 HydrophobicContact CH2-CG1 4.15Å; W109-I129 HydrophobicContact CZ2-CD1 3.8Å; W109-I129 HydrophobicContact CZ3-CD1 3.29Å; W109-I129 HydrophobicContact CZ3-CG1 3.84Å; I129-F137 HydrophobicContact CG2-CB 4.42Å; I129-F137 HydrophobicContact CG2-CD2 4.03Å; I129-S138 WeakPolarHBondContact CA-O 3.27Å; I129-V139 HydrophobicContact CG1-CG2 4.44Å; I129-V139 HydrophobicContact CG2-CG2 4.5Å |
| 130 | V | 88.1 | Confident | 88.2 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 29% | 0.291 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.9 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 107 | F137 S138 Y140 | V130-F137 CarbonylContact O-C 3.59Å; V130-F137 VanDerWaalsContact O-CA 3.26Å; V130-F137 WeakPolarHBondContact O-CA 3.45Å; V130-F137 WeakPolarHBondContact O-CB 3.24Å; V130-S138 PolarHBondContact N-O 2.85Å; V130-S138 PolarHBondContact O-N 3.02Å; V130-Y140 HydrophobicContact CB-CE2 4.13Å; V130-Y140 HydrophobicContact CG2-CD2 4.02Å; V130-Y140 HydrophobicContact CG2-CE2 3.74Å |
| 131 | D | 87.6 | Confident | 88.9 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 133.6 | 170.5 | -171.2 | 59.2 | 0 | 0 | 0 | 109.8 | I106 K269 | I106-D131 HydrophobicContact CD1-CB 3.28Å; I106-D131 WeakPolarHBondContact CD1-OD1 3.33Å; I106-D131 WeakPolarHBondContact CD1-OD2 3.11Å; I106-D131 HydrophobicContact CG1-CB 4.49Å; D131-K269 WeakPolarHBondContact OD1-CE 3.46Å; D131-K269 IonicContact OD1-NZ 2.65Å; D131-K269 PolarHBondContact OD1-NZ 2.83Å; D131-K269 IonicContact OD2-NZ 2.78Å; D131-K269 PolarHBondContact OD2-NZ 3.09Å |
| 132 | H | 85.6 | Confident | 89.4 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | trans | -94.2 | 138.4 | 168 | -56.8 | -78.8 | 0 | 0 | 0 | 108 | N134 G135 T136 S138 | H132-N134 PolarHBondContact O-N 2.78Å; H132-G135 PolarHBondContact O-N 2.87Å; H132-T136 WeakPolarHBondContact CA-O 3.32Å; H132-T136 VanDerWaalsContact CB-O 3.32Å; H132-T136 WeakPolarHBondContact CB-O 3.2Å; H132-T136 PolarHBondContact N-O 2.82Å; H132-T136 VanDerWaalsContact O-O 3.12Å; H132-S138 WeakPolarHBondContact NE2-CB 3.33Å; H132-S138 PolarHBondContact NE2-OG 2.88Å | ||
| 133 | V | 81.4 | Confident | 89.6 | Confident | 147 Ų | 147 | 48.3 Ų | 48.3 | 89% | 0.891 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -16.3 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | G135 | V133-G135 PolarHBondContact O-N 2.86Š|
| 134 | N | 83.4 | Confident | 89.6 | Confident | 146 Ų | 146 | 50.6 Ų | 50.6 | 78% | 0.781 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 5.3 | -179.4 | -58.5 | -14.6 | 0 | 0 | 0 | 114.4 | H132 T136 | H132-N134 PolarHBondContact O-N 2.78Å; N134-T136 VanDerWaalsContact C-N 3.34Å |
| 135 | G | 83.8 | Confident | 89.5 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 84.2 | 7.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | H132 V133 K269 | H132-G135 PolarHBondContact O-N 2.87Å; V133-G135 PolarHBondContact O-N 2.86Å; G135-K269 VanDerWaalsContact O-CB 3.31Å; G135-K269 WeakPolarHBondContact O-CB 3.26Å; G135-K269 WeakPolarHBondContact O-CD 3.45Å; G135-K269 VanDerWaalsContact O-CG 3.29Å; G135-K269 WeakPolarHBondContact O-CG 3.17Å; G135-K269 PolarHBondContact O-N 2.94Å; G135-K269 VanDerWaalsContact O-N 3.1Å |
| 136 | T | 88.1 | Confident | 89.2 | Confident | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 160.1 | 170.3 | 59.6 | 0 | 0 | 0 | 0 | 110.1 | H132 N134 C267 A268 | H132-T136 WeakPolarHBondContact CA-O 3.32Å; H132-T136 VanDerWaalsContact CB-O 3.32Å; H132-T136 WeakPolarHBondContact CB-O 3.2Å; H132-T136 PolarHBondContact N-O 2.82Å; H132-T136 VanDerWaalsContact O-O 3.12Å; N134-T136 VanDerWaalsContact C-N 3.34Å; T136-C267 CarbonylContact C-O 3.6Å; T136-C267 WeakPolarHBondContact CA-O 3.02Å; T136-C267 WeakPolarHBondContact CB-O 3.47Å; T136-A268 HydrophobicContact CG2-CB 4.26Å |
| 137 | F | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.9 | 170.1 | 63.9 | -86 | 0 | 0 | 0 | 109.4 | F107 I129 V130 V139 C267 I274 | F107-F137 HydrophobicContact CE1-CZ 4.46Å; F107-F137 AromaticContact CE2-CD1 3.77Å; F107-F137 HydrophobicContact CE2-CD1 3.77Å; F107-F137 AromaticContact CE2-CD2 3.95Å; F107-F137 HydrophobicContact CE2-CD2 3.95Å; F107-F137 AromaticContact CE2-CE1 3.77Å; F107-F137 HydrophobicContact CE2-CE1 3.77Å; F107-F137 AromaticContact CE2-CE2 3.94Å; F107-F137 HydrophobicContact CE2-CE2 3.94Å; F107-F137 AromaticContact CE2-CG 3.85Å; F107-F137 HydrophobicContact CE2-CG 3.85Å; F107-F137 AromaticContact CE2-CZ 3.84Å; F107-F137 HydrophobicContact CE2-CZ 3.84Å; F107-F137 HydrophobicContact CZ-CD1 4.01Å; F107-F137 HydrophobicContact CZ-CD2 4.42Å; F107-F137 AromaticContact CZ-CE1 3.51Å; F107-F137 HydrophobicContact CZ-CE1 3.51Å; F107-F137 AromaticContact CZ-CE2 3.97Å; F107-F137 HydrophobicContact CZ-CE2 3.97Å; F107-F137 HydrophobicContact CZ-CG 4.43Å; F107-F137 AromaticContact CZ-CZ 3.47Å; F107-F137 HydrophobicContact CZ-CZ 3.47Å; F107-F137 VanDerWaalsContact CZ-CZ 3.47Å; I129-F137 HydrophobicContact CG2-CB 4.42Å; I129-F137 HydrophobicContact CG2-CD2 4.03Å; V130-F137 CarbonylContact O-C 3.59Å; V130-F137 VanDerWaalsContact O-CA 3.26Å; V130-F137 WeakPolarHBondContact O-CA 3.45Å; V130-F137 WeakPolarHBondContact O-CB 3.24Å; F137-V139 HydrophobicContact CD2-CG2 3.79Å; F137-V139 HydrophobicContact CE2-CG2 3.77Å; F137-C267 HydrophobicContact CD1-CB 3.92Å; F137-C267 HydrophobicContact CD2-CB 3.96Å; F137-C267 HydrophobicContact CE1-CB 3.41Å; F137-C267 VanDerWaalsContact CE1-CB 3.41Å; F137-C267 HydrophobicContact CE2-CB 3.47Å; F137-C267 VanDerWaalsContact CE2-CB 3.47Å; F137-C267 HydrophobicContact CG-CB 4.18Å; F137-C267 HydrophobicContact CZ-CB 3.17Å; F137-C267 PolarHBondContact N-O 3.33Å; F137-C267 PolarHBondContact O-N 2.92Å; F137-I274 HydrophobicContact CE2-CD1 3.77Å; F137-I274 HydrophobicContact CZ-CD1 4.02Å |
| 138 | S | 90.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140.9 | 173 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | I129 V130 H132 W265 L266 | I129-S138 WeakPolarHBondContact CA-O 3.27Å; V130-S138 PolarHBondContact N-O 2.85Å; V130-S138 PolarHBondContact O-N 3.02Å; H132-S138 WeakPolarHBondContact NE2-CB 3.33Å; H132-S138 PolarHBondContact NE2-OG 2.88Å; S138-W265 CarbonylContact C-O 3.46Å; S138-W265 WeakPolarHBondContact CA-O 3.31Å; S138-L266 WeakPolarHBondContact OG-CD1 3.38Å |
| 139 | V | 91.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.8 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | K128 I129 F137 F141 I155 A264 W265 | K128-V139 CarbonylContact O-C 3.48Å; K128-V139 WeakPolarHBondContact O-CA 3.45Å; I129-V139 HydrophobicContact CG1-CG2 4.44Å; I129-V139 HydrophobicContact CG2-CG2 4.5Å; F137-V139 HydrophobicContact CD2-CG2 3.79Å; F137-V139 HydrophobicContact CE2-CG2 3.77Å; V139-F141 HydrophobicContact CB-CE2 4.34Å; V139-F141 HydrophobicContact CB-CZ 4.49Å; V139-F141 HydrophobicContact CG1-CD2 4.37Å; V139-F141 HydrophobicContact CG1-CE1 3.96Å; V139-F141 HydrophobicContact CG1-CE2 3.69Å; V139-F141 HydrophobicContact CG1-CZ 3.46Å; V139-F141 VanDerWaalsContact CG1-CZ 3.46Å; V139-I155 HydrophobicContact CB-CD1 3.84Å; V139-I155 HydrophobicContact CG1-CD1 4.33Å; V139-I155 HydrophobicContact CG2-CD1 3.82Å; V139-A264 WeakPolarHBondContact O-CA 3.49Å; V139-W265 HydrophobicContact CB-CB 4.45Å; V139-W265 PolarHBondContact N-O 2.88Å; V139-W265 PolarHBondContact O-N 2.84Å |
| 140 | Y | 92.8 | Very high | 86.4 | Confident | 100 Ų | 100 | 50.6 Ų | 50.6 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.1 | 179.7 | -60.9 | -82.5 | 0 | 0 | 0 | 109.4 | G127 K128 V130 A263 A264 | G127-Y140 CarbonylContact C-O 3.52Å; G127-Y140 VanDerWaalsContact CA-O 3.23Å; G127-Y140 WeakPolarHBondContact CA-O 3.38Å; K128-Y140 PolarHBondContact N-O 3.33Å; K128-Y140 PolarHBondContact O-N 3.1Å; V130-Y140 HydrophobicContact CB-CE2 4.13Å; V130-Y140 HydrophobicContact CG2-CD2 4.02Å; V130-Y140 HydrophobicContact CG2-CE2 3.74Å; Y140-A263 CarbonylContact C-O 3.47Å; Y140-A263 WeakPolarHBondContact CA-O 3.19Å; Y140-A264 HydrophobicContact CD1-CB 3.62Å; Y140-A264 HydrophobicContact CE1-CB 3.62Å |
| 141 | F | 94.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.7 | 170 | -62.3 | -68.9 | 0 | 0 | 0 | 110.2 | T126 V139 V153 I155 Q262 A263 W265 I276 | T126-F141 CarbonylContact O-C 3Å; T126-F141 WeakPolarHBondContact O-CA 3.5Å; V139-F141 HydrophobicContact CB-CE2 4.34Å; V139-F141 HydrophobicContact CB-CZ 4.49Å; V139-F141 HydrophobicContact CG1-CD2 4.37Å; V139-F141 HydrophobicContact CG1-CE1 3.96Å; V139-F141 HydrophobicContact CG1-CE2 3.69Å; V139-F141 HydrophobicContact CG1-CZ 3.46Å; V139-F141 VanDerWaalsContact CG1-CZ 3.46Å; F141-V153 HydrophobicContact CB-CG1 4.27Å; F141-V153 HydrophobicContact CD1-CG1 3.75Å; F141-V153 HydrophobicContact CD2-CG1 4.06Å; F141-V153 HydrophobicContact CE1-CG1 4.05Å; F141-V153 HydrophobicContact CE2-CG1 4.34Å; F141-V153 HydrophobicContact CG-CG1 3.75Å; F141-V153 HydrophobicContact CZ-CG1 4.33Å; F141-I155 HydrophobicContact CE2-CD1 4.09Å; F141-I155 HydrophobicContact CE2-CG1 3.72Å; F141-I155 HydrophobicContact CZ-CD1 4.46Å; F141-I155 HydrophobicContact CZ-CG1 4.08Å; F141-Q262 CarbonylContact O-C 3.49Å; F141-Q262 VanDerWaalsContact O-CA 3.31Å; F141-Q262 WeakPolarHBondContact O-CA 3.38Å; F141-A263 HydrophobicContact CB-CB 4.45Å; F141-A263 PolarHBondContact N-O 2.84Å; F141-A263 PolarHBondContact O-N 3.28Å; F141-W265 AromaticContact CD2-CD1 3.7Å; F141-W265 AromaticContact CE2-CD1 3.76Å; F141-W265 HydrophobicContact CE2-CG 4.45Å; F141-I276 HydrophobicContact CE1-CD1 4.12Å; F141-I276 HydrophobicContact CE1-CG1 4.33Å; F141-I276 HydrophobicContact CE1-CG2 3.98Å; F141-I276 HydrophobicContact CZ-CD1 4.36Å; F141-I276 HydrophobicContact CZ-CG1 4.15Å; F141-I276 HydrophobicContact CZ-CG2 4.11Å |
| 142 | R | 93.8 | Very high | 86.4 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.6 | 165.8 | -177.6 | -179.8 | -176.4 | -173.6 | 1.1 | 107.7 | T126 Q260 S261 Q262 | T126-R142 PolarHBondContact N-O 2.87Å; T126-R142 PolarHBondContact O-N 3.18Å; T126-R142 PolarHBondContact OG1-O 2.85Å; R142-Q260 VanDerWaalsContact NH2-NE2 3.1Å; R142-S261 WeakPolarHBondContact CA-O 3.31Å; R142-Q262 HydrophobicContact CG-CG 4.35Å |
| 143 | H | 92.4 | Very high | 86.7 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.2 | 174.6 | 68.3 | -114.8 | 0 | 0 | 0 | 112 | L124 V125 L151 Q260 S261 | L124-H143 CarbonylContact O-C 3.58Å; L124-H143 WeakPolarHBondContact O-CA 3.41Å; V125-H143 HydrophobicContact CB-CB 4.48Å; V125-H143 HydrophobicContact CG2-CB 3.96Å; H143-L151 HydrophobicContact CB-CD2 3.49Å; H143-L151 VanDerWaalsContact CB-CD2 3.49Å; H143-L151 WeakPolarHBondContact CD2-CD2 3.39Å; H143-L151 WeakPolarHBondContact NE2-CD2 3.43Å; H143-Q260 WeakPolarHBondContact O-CA 3.45Å; H143-S261 WeakPolarHBondContact CE1-CB 3.39Å; H143-S261 PolarHBondContact CE1-OG 2.83Å; H143-S261 VanDerWaalsContact CE1-OG 3.28Å; H143-S261 PolarHBondContact N-O 3.22Å; H143-S261 WeakPolarHBondContact ND1-CB 3.37Å; H143-S261 WeakPolarHBondContact NE2-CB 3.5Å; H143-S261 PolarHBondContact O-N 2.98Å |
| 144 | N | 91.2 | Very high | 87.1 | Confident | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.7 | 175.4 | -175.2 | -22.4 | 0 | 0 | 0 | 108.4 | L123 L124 H258 T259 | L123-N144 WeakPolarHBondContact CA-O 3.07Å; L124-N144 PolarHBondContact N-O 3.48Å; L124-N144 PolarHBondContact O-N 2.8Å; N144-H258 VanDerWaalsContact CG-CE1 3.49Å; N144-H258 VanDerWaalsContact CG-NE2 3.31Å; N144-H258 PolarHBondContact ND2-CE1 3.14Å; N144-H258 PolarHBondContact ND2-NE2 3.44Å; N144-H258 PolarHBondContact OD1-CD2 2.77Å; N144-H258 PolarHBondContact OD1-CE1 2.87Å; N144-H258 PolarHBondContact OD1-NE2 3.12Å; N144-T259 WeakPolarHBondContact CA-O 3.04Å |
| 145 | S | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.5 | 175.2 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | S122 H258 T259 | S122-S145 VanDerWaalsContact O-CA 3.24Å; S122-S145 WeakPolarHBondContact O-CA 3.26Å; S145-H258 CarbonylContact O-C 3.57Å; S145-H258 WeakPolarHBondContact O-CA 3.22Å; S145-T259 PolarHBondContact N-O 2.89Å; S145-T259 PolarHBondContact O-N 3.11Å; S145-T259 WeakPolarHBondContact OG-CB 3.41Å; S145-T259 PolarHBondContact OG-O 2.66Å |
| 146 | S | 85.6 | Confident | 87.7 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | trans | -108.2 | 8.2 | -176.4 | -47.8 | 0 | 0 | 0 | 0 | 114.6 | S122 E257 | S122-S146 PolarHBondContact O-N 2.92Å; S146-E257 CarbonylContact C-O 3.59Å; S146-E257 VanDerWaalsContact O-O 3.08Å | ||
| 147 | S | 74.7 | Confident | 87.6 | Confident | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -125.3 | 158.7 | -179.6 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | K120 F121 G149 E257 F280 | K120-S147 WeakPolarHBondContact O-CB 3.3Å; F121-S147 WeakPolarHBondContact CD2-OG 3.49Å; S147-G149 PolarHBondContact O-N 2.93Å; S147-E257 PolarHBondContact N-O 2.77Å; S147-F280 VanDerWaalsContact OG-CZ 3.27Å; S147-F280 WeakPolarHBondContact OG-CZ 3.5Å |
| 148 | L | 72.8 | Confident | 87.1 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -62.3 | 115.4 | 170.4 | -169.2 | 94.2 | 0 | 0 | 0 | 110.3 | F255 E257 S282 | L148-F255 HydrophobicContact CB-CE2 3.9Å; L148-F255 HydrophobicContact CD1-CD2 4.04Å; L148-F255 HydrophobicContact CD1-CE2 3.26Å; L148-F255 HydrophobicContact CD1-CZ 3.9Å; L148-F255 HydrophobicContact CD2-CE2 4.01Å; L148-F255 HydrophobicContact CD2-CZ 4.07Å; L148-F255 HydrophobicContact CG-CE2 3.88Å; L148-F255 HydrophobicContact CG-CZ 4.42Å; L148-E257 HydrophobicContact CD1-CB 4.46Å; L148-S282 VanDerWaalsContact O-CB 3.31Å; L148-S282 WeakPolarHBondContact O-CB 3.31Å; L148-S282 PolarHBondContact O-OG 3.26Å |
| 149 | G | 75.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | 159.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S147 L281 | S147-G149 PolarHBondContact O-N 2.93Å; G149-L281 CarbonylContact C-O 3.6Å; G149-L281 WeakPolarHBondContact CA-O 3.12Å |
| 150 | N | 82.1 | Confident | 85.6 | Confident | 105 Ų | 105 | 45.1 Ų | 45.1 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111 | 174.8 | -66.7 | -35.8 | 0 | 0 | 0 | 108.5 | F280 L281 | N150-F280 WeakPolarHBondContact O-CA 2.94Å; N150-L281 PolarHBondContact N-O 2.87Å; N150-L281 PolarHBondContact O-N 2.86Å |
| 151 | L | 87 | Confident | 84.4 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.3 | 168.1 | -168.2 | 87.3 | 0 | 0 | 0 | 109.5 | L123 V125 H143 V153 V278 S279 F280 | L123-L151 HydrophobicContact CD1-CD1 3.63Å; L123-L151 HydrophobicContact CD1-CD2 3.49Å; L123-L151 VanDerWaalsContact CD1-CD2 3.49Å; L123-L151 HydrophobicContact CD1-CG 4.18Å; L123-L151 HydrophobicContact CD2-CD1 3.47Å; L123-L151 VanDerWaalsContact CD2-CD1 3.47Å; L123-L151 HydrophobicContact CG-CD1 4.2Å; V125-L151 HydrophobicContact CG2-CD2 4.16Å; H143-L151 HydrophobicContact CB-CD2 3.49Å; H143-L151 VanDerWaalsContact CB-CD2 3.49Å; H143-L151 WeakPolarHBondContact CD2-CD2 3.39Å; H143-L151 WeakPolarHBondContact NE2-CD2 3.43Å; L151-V153 HydrophobicContact CD2-CG2 4Å; L151-V153 HydrophobicContact CG-CG2 4.5Å; L151-V278 HydrophobicContact CD1-CG1 4.33Å; L151-S279 CarbonylContact C-O 3.53Å; L151-S279 WeakPolarHBondContact CA-O 3.26Å; L151-F280 HydrophobicContact CB-CD2 4.02Å; L151-F280 HydrophobicContact CD1-CB 3.65Å; L151-F280 HydrophobicContact CD1-CD2 3.61Å; L151-F280 HydrophobicContact CD1-CG 4.02Å; L151-F280 HydrophobicContact CG-CD2 4.46Å |
| 152 | S | 88.6 | Confident | 83.2 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 38% | 0.378 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140.4 | 165 | 68 | 0 | 0 | 0 | 0 | 110.7 | S279 | S152-S279 PolarHBondContact N-O 2.8Å; S152-S279 PolarHBondContact O-N 2.82Å; S152-S279 PolarHBondContact OG-OG 2.88Å |
| 153 | V | 90.8 | Very high | 81.9 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.7 | 174 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | V125 F141 L151 I276 F277 V278 | V125-V153 HydrophobicContact CG1-CG1 4.22Å; V125-V153 HydrophobicContact CG1-CG2 3.89Å; V125-V153 HydrophobicContact CG2-CG2 4.16Å; F141-V153 HydrophobicContact CB-CG1 4.27Å; F141-V153 HydrophobicContact CD1-CG1 3.75Å; F141-V153 HydrophobicContact CD2-CG1 4.06Å; F141-V153 HydrophobicContact CE1-CG1 4.05Å; F141-V153 HydrophobicContact CE2-CG1 4.34Å; F141-V153 HydrophobicContact CG-CG1 3.75Å; F141-V153 HydrophobicContact CZ-CG1 4.33Å; L151-V153 HydrophobicContact CD2-CG2 4Å; L151-V153 HydrophobicContact CG-CG2 4.5Å; V153-I276 HydrophobicContact CG1-CG2 4.08Å; V153-F277 WeakPolarHBondContact CA-O 3.04Å; V153-V278 HydrophobicContact CG1-CG2 4.38Å; V153-V278 HydrophobicContact CG2-CG1 4.43Å; V153-V278 HydrophobicContact CG2-CG2 4.45Å |
| 154 | S | 90.7 | Very high | 80 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 156.7 | -177 | 60.7 | 0 | 0 | 0 | 0 | 112 | F277 | S154-F277 PolarHBondContact N-O 2.8Å; S154-F277 PolarHBondContact O-N 3.3Å |
| 155 | I | 90.3 | Very high | 78.1 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.8 | 168.2 | -49 | -175.2 | 0 | 0 | 0 | 107 | V139 F141 F228 W265 I274 C275 | V139-I155 HydrophobicContact CB-CD1 3.84Å; V139-I155 HydrophobicContact CG1-CD1 4.33Å; V139-I155 HydrophobicContact CG2-CD1 3.82Å; F141-I155 HydrophobicContact CE2-CD1 4.09Å; F141-I155 HydrophobicContact CE2-CG1 3.72Å; F141-I155 HydrophobicContact CZ-CD1 4.46Å; F141-I155 HydrophobicContact CZ-CG1 4.08Å; I155-F228 HydrophobicContact CB-CZ 4.14Å; I155-F228 HydrophobicContact CG2-CZ 3.81Å; I155-F228 WeakPolarHBondContact O-CE1 3.44Å; I155-F228 VanDerWaalsContact O-CZ 3.31Å; I155-F228 WeakPolarHBondContact O-CZ 3.14Å; I155-W265 HydrophobicContact CB-CD2 4.22Å; I155-W265 HydrophobicContact CB-CE3 4.11Å; I155-W265 HydrophobicContact CB-CZ3 4.46Å; I155-W265 HydrophobicContact CD1-CB 3.45Å; I155-W265 VanDerWaalsContact CD1-CB 3.45Å; I155-W265 HydrophobicContact CD1-CD2 4.06Å; I155-W265 HydrophobicContact CD1-CE3 4.39Å; I155-W265 HydrophobicContact CD1-CG 3.66Å; I155-W265 HydrophobicContact CG1-CB 4.16Å; I155-W265 HydrophobicContact CG1-CD2 3.82Å; I155-W265 HydrophobicContact CG1-CE3 4.19Å; I155-W265 HydrophobicContact CG1-CG 3.8Å; I155-I274 HydrophobicContact CD1-CD1 4.44Å; I155-I274 HydrophobicContact CG2-CB 3.76Å; I155-I274 HydrophobicContact CG2-CD1 3.98Å; I155-I274 HydrophobicContact CG2-CG1 4.38Å; I155-I274 HydrophobicContact CG2-CG2 4.16Å; I155-C275 CarbonylContact C-O 3.57Å; I155-C275 WeakPolarHBondContact CA-O 3.45Å |
| 156 | V | 89.1 | Confident | 76.1 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.2 | -179.3 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | K160 C275 F277 K290 | V156-K160 HydrophobicContact CB-CB 3.89Å; V156-K160 HydrophobicContact CB-CG 4.06Å; V156-K160 HydrophobicContact CG1-CG 4.27Å; V156-K160 HydrophobicContact CG2-CB 4.05Å; V156-K160 HydrophobicContact CG2-CG 4.35Å; V156-C275 HydrophobicContact CG2-CB 3.89Å; V156-C275 PolarHBondContact N-O 2.03Å; V156-C275 PolarHBondContact O-N 3.15Å; V156-F277 HydrophobicContact CG1-CB 3.83Å; V156-F277 HydrophobicContact CG1-CG 4.48Å; V156-F277 HydrophobicContact CG2-CB 3.84Å; V156-K290 HydrophobicContact CG2-CD 4.33Å; V156-K290 HydrophobicContact CG2-CG 4.47Å |
| 157 | P | 86.2 | Confident | 73.7 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 26% | 0.26 | 38% | 0.378 | S | S | . | . | trans | -66.2 | 154.2 | 171.6 | 27.5 | -33.7 | 0 | 0 | 0 | 110.8 | S159 K160 F228 | P157-S159 PolarHBondContact O-N 2.94Å; P157-S159 VanDerWaalsContact O-N 3.17Å; P157-K160 HydrophobicContact CG-CB 4.32Å; P157-K160 VanDerWaalsContact O-CB 3.28Å; P157-K160 WeakPolarHBondContact O-CB 3.37Å; P157-K160 PolarHBondContact O-N 2.85Å; P157-F228 HydrophobicContact CB-CD2 4Å; P157-F228 HydrophobicContact CB-CE2 4.12Å; P157-F228 HydrophobicContact CG-CD2 4.19Å; P157-F228 HydrophobicContact CG-CE2 4.42Å | ||
| 158 | P | 79.4 | Confident | 71.6 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 24% | 0.24 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.5 | 179.2 | -26.1 | 34.9 | 0 | 0 | 0 | 114.7 | K160 V273 C275 K290 Y295 | P158-K160 PolarHBondContact O-N 3.2Å; P158-V273 HydrophobicContact CG-CB 4.01Å; P158-V273 HydrophobicContact CG-CG1 3.67Å; P158-C275 VanDerWaalsContact CA-SG 3.53Å; P158-K290 PolarHBondContact O-NZ 3.08Å; P158-Y295 HydrophobicContact CB-CD2 4.36Å; P158-Y295 HydrophobicContact CB-CE2 4.3Å |
| 159 | S | 75.8 | Confident | 69.7 | Low | 104 Ų | 104 | 77.7 Ų | 77.7 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.8 | 176 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | P157 R161 | P157-S159 PolarHBondContact O-N 2.94Å; P157-S159 VanDerWaalsContact O-N 3.17Å; S159-R161 PolarHBondContact O-N 2.99Å |
| 160 | K | 73.9 | Confident | 67.7 | Low | 95 Ų | 95 | 81.8 Ų | 81.8 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | trans | -67 | 120 | 177.8 | -172.1 | 58.6 | 177.8 | 160.6 | 0 | 109.7 | V156 P157 P158 E163 K290 | V156-K160 HydrophobicContact CB-CB 3.89Å; V156-K160 HydrophobicContact CB-CG 4.06Å; V156-K160 HydrophobicContact CG1-CG 4.27Å; V156-K160 HydrophobicContact CG2-CB 4.05Å; V156-K160 HydrophobicContact CG2-CG 4.35Å; P157-K160 HydrophobicContact CG-CB 4.32Å; P157-K160 VanDerWaalsContact O-CB 3.28Å; P157-K160 WeakPolarHBondContact O-CB 3.37Å; P157-K160 PolarHBondContact O-N 2.85Å; P158-K160 PolarHBondContact O-N 3.2Å; K160-E163 IonicContact NZ-OE2 3.15Å; K160-K290 WeakPolarHBondContact O-CD 3.39Å; K160-K290 PolarHBondContact O-NZ 3.1Å | ||
| 161 | R | 68.2 | Low | 65.3 | Low | 190 Ų | 190 | 79 Ų | 79 | 72% | 0.717 | 45% | 0.454 | S | S | * | . | trans | -70.7 | 149.8 | 175.7 | -66.9 | -172.6 | 174.6 | -159 | -1.2 | 110.6 | S159 E163 | S159-R161 PolarHBondContact O-N 2.99Å; R161-E163 HydrophobicContact CB-CG 4.1Å; R161-E163 PolarHBondContact O-N 3.29Å | ||
| 162 | V | 70.1 | Confident | 63 | Low | 68 Ų | 68 | 83.8 Ų | 83.8 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | trans | -80 | 96.8 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 107 | F277 V288 K290 | V162-F277 HydrophobicContact CG1-CE2 4.17Å; V162-V288 HydrophobicContact CG1-CB 4.21Å; V162-V288 HydrophobicContact CG1-CG1 3.45Å; V162-V288 VanDerWaalsContact CG1-CG1 3.45Å; V162-K290 HydrophobicContact CG2-CB 3.44Å; V162-K290 VanDerWaalsContact CG2-CB 3.44Å; V162-K290 HydrophobicContact CG2-CD 4.13Å; V162-K290 HydrophobicContact CG2-CG 4.39Å | ||
| 163 | E | 66.4 | Low | 60.5 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | trans | -111.8 | 132 | -177.2 | -70.6 | 167.6 | 180 | 0 | 0 | 109.4 | K160 R161 G165 | K160-E163 IonicContact NZ-OE2 3.15Å; R161-E163 HydrophobicContact CB-CG 4.1Å; R161-E163 PolarHBondContact O-N 3.29Å; E163-G165 VanDerWaalsContact C-N 3.28Å; E163-G165 PolarHBondContact O-N 3.36Å | ||
| 164 | F | 51.3 | Low | 57.8 | Low | 137 Ų | 137 | 90.2 Ų | 90.2 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -74.7 | 88.8 | 167 | -77.3 | -91 | 0 | 0 | 0 | 107.8 | G166 K286 V288 | F164-G166 PolarHBondContact O-N 3.41Å; F164-K286 HydrophobicContact CE1-CB 4.28Å; F164-V288 HydrophobicContact CD1-CB 4.32Å; F164-V288 HydrophobicContact CD1-CG2 3.41Å; F164-V288 VanDerWaalsContact CD1-CG2 3.41Å; F164-V288 HydrophobicContact CD2-CG2 4.46Å; F164-V288 HydrophobicContact CE1-CB 3.97Å; F164-V288 HydrophobicContact CE1-CG2 3.4Å; F164-V288 HydrophobicContact CE2-CB 4.38Å; F164-V288 HydrophobicContact CE2-CG2 4.44Å; F164-V288 HydrophobicContact CG-CG2 3.98Å; F164-V288 HydrophobicContact CZ-CB 3.99Å; F164-V288 HydrophobicContact CZ-CG2 3.94Å |
| 165 | G | 52.4 | Low | 55.2 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31.2 | 76.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E163 V167 | E163-G165 VanDerWaalsContact C-N 3.28Å; E163-G165 PolarHBondContact O-N 3.36Å; G165-V167 PolarHBondContact O-N 2.76Å |
| 166 | G | 46.6 | Very low | 52.5 | Low | 81 Ų | 81 | 102.7 Ų | 102.7 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.8 | 4.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | F164 | F164-G166 PolarHBondContact O-N 3.41Š|
| 167 | V | 35.5 | Very low | 49.8 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | trans | -110.4 | 101.8 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 107 | G165 L169 | G165-V167 PolarHBondContact O-N 2.76Å; V167-L169 HydrophobicContact CG1-CD2 4.35Å; V167-L169 HydrophobicContact CG1-CG 4.45Å; V167-L169 PolarHBondContact O-N 2.92Å | ||
| 168 | W | 30.9 | Very low | 47.2 | Very low | 218 Ų | 218 | 116 Ų | 116 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | trans | -56.2 | 97.8 | 152.2 | -159 | 76.1 | 0 | 0 | 0 | 106.3 | P170 | W168-P170 HydrophobicContact CE3-CB 3.97Å; W168-P170 HydrophobicContact CH2-CB 4.33Å; W168-P170 HydrophobicContact CZ3-CB 3.61Å; W168-P170 WeakPolarHBondContact O-CD 3.48Å | ||
| 169 | L | 32.4 | Very low | 44.9 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | trans | -63.4 | 121.6 | 154.9 | -71.4 | 171 | 0 | 0 | 0 | 104.2 | V167 G171 | V167-L169 HydrophobicContact CG1-CD2 4.35Å; V167-L169 HydrophobicContact CG1-CG 4.45Å; V167-L169 PolarHBondContact O-N 2.92Å; L169-G171 VanDerWaalsContact C-N 3.26Å; L169-G171 PolarHBondContact O-N 3.4Å | ||
| 170 | P | 34.9 | Very low | 42.9 | Very low | 95 Ų | 95 | 120.6 Ų | 120.6 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | trans | -59.9 | 100.2 | 169.6 | 23.4 | -29.3 | 0 | 0 | 0 | 106.5 | W168 | W168-P170 HydrophobicContact CE3-CB 3.97Å; W168-P170 HydrophobicContact CH2-CB 4.33Å; W168-P170 HydrophobicContact CZ3-CB 3.61Å; W168-P170 WeakPolarHBondContact O-CD 3.48Å | ||
| 171 | G | 31.3 | Very low | 41 | Very low | 48 Ų | 48 | 124 Ų | 124 | 50% | 0.495 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 141.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | L169 A173 | L169-G171 VanDerWaalsContact C-N 3.26Å; L169-G171 PolarHBondContact O-N 3.4Å; G171-A173 PolarHBondContact O-N 3.35Å; G171-A173 VanDerWaalsContact O-N 3.15Å |
| 172 | P | 38.3 | Very low | 39.3 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.2 | -178.6 | -8.1 | 19.4 | 0 | 0 | 0 | 108.3 | ||
| 173 | A | 36.6 | Very low | 37.4 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 130 | 177 | 0 | 0 | 0 | 0 | 0 | 109.4 | G171 H175 | G171-A173 PolarHBondContact O-N 3.35Å; G171-A173 VanDerWaalsContact O-N 3.15Å; A173-H175 PolarHBondContact O-CE1 3.3Å; A173-H175 VanDerWaalsContact O-CE1 3.29Å; A173-H175 PolarHBondContact O-N 3.23Å; A173-H175 PolarHBondContact O-ND1 3.29Å |
| 174 | P | 33.8 | Very low | 35.5 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.5 | 170.8 | 26.3 | -28.4 | 0 | 0 | 0 | 108 | ||
| 175 | H | 35.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 128.9 | 177.4 | -48.2 | 22.3 | 0 | 0 | 0 | 106.2 | A173 L177 | A173-H175 PolarHBondContact O-CE1 3.3Å; A173-H175 VanDerWaalsContact O-CE1 3.29Å; A173-H175 PolarHBondContact O-N 3.23Å; A173-H175 PolarHBondContact O-ND1 3.29Å; H175-L177 PolarHBondContact O-N 3.2Å |
| 176 | P | 32.7 | Very low | 33.5 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -79.7 | 92.6 | 169.7 | 30.4 | -27.5 | 0 | 0 | 0 | 107.8 | Q178 | P176-Q178 PolarHBondContact O-N 2.03Š| ||
| 177 | L | 33.4 | Very low | 32.9 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -86.7 | 94.6 | 159.7 | -123.5 | 177.3 | 0 | 0 | 0 | 107.3 | H175 | H175-L177 PolarHBondContact O-N 3.2Š| ||
| 178 | Q | 32.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -129.2 | 100.2 | 152.1 | -118.3 | 179.4 | -23.9 | 0 | 0 | 107.4 | P176 T180 | P176-Q178 PolarHBondContact O-N 2.03Å; Q178-T180 PolarHBondContact O-N 2.76Å | ||
| 179 | S | 30.7 | Very low | 33.6 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -64.1 | 122.7 | 162.5 | -74.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 180 | T | 33.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -136.6 | 119.4 | 148.1 | -66.2 | 0 | 0 | 0 | 0 | 106.9 | Q178 | Q178-T180 PolarHBondContact O-N 2.76Š| ||
| 181 | L | 33.9 | Very low | 33.6 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -62 | 131.6 | 178.3 | -76.3 | 153.5 | 0 | 0 | 0 | 112 | ||||
| 182 | A | 32.5 | Very low | 34.6 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -167.5 | 88.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 183 | L | 29.6 | Very low | 35.3 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 60.2 | 109.9 | 93.6 | -143.5 | 84.9 | 0 | 0 | 0 | 114 | |||||
| 184 | E | 27.8 | Very low | 35.2 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 34.3 | 136.3 | 152.7 | -80.7 | 151.5 | 82.8 | 0 | 0 | 120.9 | ||||
| 185 | G | 30.5 | Very low | 35.2 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | cis | 173.7 | -173.9 | 9.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 186 | V | 30.8 | Very low | 35.4 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | 86.1 | 110.1 | 157 | -167.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 187 | L | 33.8 | Very low | 35.3 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -85.2 | 177.4 | 156.7 | -75.8 | 165.9 | 0 | 0 | 0 | 110 | ||||
| 188 | P | 48.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | -151.6 | -173.1 | 19.6 | 39.4 | -15.2 | 0 | 0 | 0 | 118.4 | ||||
| 189 | G | 31.3 | Very low | 35.6 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 107.3 | 137.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 190 | L | 35.8 | Very low | 35.9 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 97% | 0.974 | 82% | 0.82 | S | S | * | * | cis | -159.2 | 158.7 | 24.5 | -88.4 | 144.7 | 0 | 0 | 0 | 109.7 | ||||
| 191 | G | 32.6 | Very low | 36.1 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -84.6 | -168 | -163 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 192 | P | 51.3 | Low | 36.1 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | trans | -96.7 | 179.7 | -175.5 | 44.2 | -36.6 | 0 | 0 | 0 | 111.5 | ||||
| 193 | P | 52.9 | Low | 36.3 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 68% | 0.682 | 83% | 0.825 | S | S | * | * | -163.1 | -178.8 | 61.9 | 43.7 | -18.9 | 0 | 0 | 0 | 120 | |||||
| 194 | L | 36.3 | Very low | 36.8 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | 59.1 | 137 | 142.4 | -73.6 | 158.3 | 0 | 0 | 0 | 123.3 | ||||
| 195 | G | 33 | Very low | 37.2 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 155.2 | 101.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 196 | M | 38.8 | Very low | 37.5 | Very low | 178 Ų | 178 | 126 Ų | 126 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -91.2 | 143.2 | 168.8 | -69.9 | -91.5 | 93.9 | 0 | 0 | 111.6 | ||||
| 197 | T | 32.2 | Very low | 37.7 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 93% | 0.933 | 83% | 0.825 | S | S | * | * | trans | 179.6 | 147.4 | 145 | 46.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 198 | G | 35 | Very low | 37.8 | Very low | 69 Ų | 69 | 121.2 Ų | 121.2 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | cis | 141.6 | 118.7 | 5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 199 | Q | 37.1 | Very low | 37.6 | Very low | 210 Ų | 210 | 123.8 Ų | 123.8 | 98% | 0.981 | 82% | 0.824 | S | S | * | * | trans | 57.7 | 149.9 | 154.7 | -68.5 | 166.2 | 7.6 | 0 | 0 | 119.6 | ||||
| 200 | G | 35.6 | Very low | 37.8 | Very low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | cis | 159.9 | 171.5 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 201 | L | 37.5 | Very low | 37.7 | Very low | 191 Ų | 191 | 120 Ų | 120 | 100% | 1 | 82% | 0.819 | S | S | * | * | trans | 81.2 | 137.6 | 168.8 | -60.4 | 146.3 | 0 | 0 | 0 | 117.3 | ||||
| 202 | G | 34.8 | Very low | 38.4 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | cis | 172.6 | 160 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 203 | G | 36.8 | Very low | 37.7 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 1.9 | 162.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 204 | N | 39 | Very low | 36.8 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | cis | -176.8 | 161.3 | 33.5 | -158.3 | 14.6 | 0 | 0 | 0 | 111.7 | ||||
| 205 | L | 37.8 | Very low | 36.8 | Very low | 156 Ų | 156 | 119 Ų | 119 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | 62.6 | 127.4 | 151.3 | -74.3 | 159 | 0 | 0 | 0 | 124.2 | ||||
| 206 | G | 35.2 | Very low | 37 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | 165.8 | 99.6 | 153 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 207 | S | 36.1 | Very low | 37.1 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -23.8 | 163.4 | 158.8 | -61.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 208 | A | 36.3 | Very low | 37.3 | Very low | 84 Ų | 84 | 115.1 Ų | 115.1 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | cis | -178.2 | 155.7 | -9.1 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 209 | L | 43.4 | Very low | 37.8 | Very low | 181 Ų | 181 | 117 Ų | 117 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | 162.3 | 145.2 | 135.3 | -84.6 | 170.7 | 0 | 0 | 0 | 111.8 | ||||
| 210 | A | 35.4 | Very low | 38.1 | Very low | 104 Ų | 104 | 112.8 Ų | 112.8 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -73.8 | 157.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 211 | G | 33.8 | Very low | 38.3 | Very low | 73 Ų | 73 | 112.8 Ų | 112.8 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 170.7 | 123.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 212 | P | 47.6 | Very low | 38.6 | Very low | 118 Ų | 118 | 107.7 Ų | 107.7 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -98.4 | 160.2 | -156 | 38.3 | -35.2 | 0 | 0 | 0 | 115.3 | ||||
| 213 | L | 37.9 | Very low | 39.1 | Very low | 177 Ų | 177 | 114.3 Ų | 114.3 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | 47.4 | 114.1 | 142.1 | -71.9 | 158.1 | 0 | 0 | 0 | 118.9 | ||||
| 214 | G | 32.7 | Very low | 39.7 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 143.2 | 121.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 215 | G | 37.7 | Very low | 40.1 | Very low | 79 Ų | 79 | 116.8 Ų | 116.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 107.1 | 70.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 216 | A | 37.1 | Very low | 41 | Very low | 92 Ų | 92 | 121.4 Ų | 121.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -56.7 | 138.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 217 | L | 40.1 | Very low | 42.1 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 52.6 | 71.9 | 145.1 | -68.7 | 159.1 | 0 | 0 | 0 | 116.4 | V219 | L217-V219 PolarHBondContact O-N 2.84Š| ||
| 218 | G | 35.9 | Very low | 43.9 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -70.4 | 75.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P220 | G218-P220 WeakPolarHBondContact O-CD 3.39Š| ||
| 219 | V | 45.1 | Very low | 46.3 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | trans | -58.3 | 126.1 | 159.6 | 176.2 | 0 | 0 | 0 | 0 | 107 | L217 G221 | L217-V219 PolarHBondContact O-N 2.84Å; V219-G221 PolarHBondContact O-N 2.82Å | ||
| 220 | P | 43.8 | Very low | 48.4 | Very low | 121 Ų | 121 | 110.1 Ų | 110.1 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | -68.9 | 82.4 | 165.6 | -12.7 | 28 | 0 | 0 | 0 | 108.2 | G218 A222 | G218-P220 WeakPolarHBondContact O-CD 3.39Å; P220-A222 PolarHBondContact O-N 2.92Å | ||
| 221 | G | 39.3 | Very low | 51.1 | Low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | -61.3 | 121.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V219 | V219-G221 PolarHBondContact O-N 2.82Š| ||
| 222 | A | 44 | Very low | 53.9 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | trans | 49.8 | 70.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P220 E224 | P220-A222 PolarHBondContact O-N 2.92Å; A222-E224 PolarHBondContact O-N 2.82Å | ||
| 223 | K | 46.3 | Very low | 56.1 | Low | 212 Ų | 212 | 109.5 Ų | 109.5 | 92% | 0.922 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -78.8 | 47.5 | 160.6 | -143.8 | -175.6 | -169 | -171.7 | 0 | 111.4 | ||
| 224 | E | 48.4 | Very low | 58.6 | Low | 190 Ų | 190 | 106.2 Ų | 106.2 | 89% | 0.888 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -158.9 | 62.8 | 171.4 | -155.5 | 149.4 | -165.1 | 0 | 0 | 113.2 | A222 | A222-E224 PolarHBondContact O-N 2.82Š|
| 225 | S | 47.5 | Very low | 61.5 | Low | 92 Ų | 92 | 108.3 Ų | 108.3 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | trans | -152.7 | 7.5 | 161.7 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | A227 | S225-A227 PolarHBondContact O-N 2.94Å; S225-A227 VanDerWaalsContact O-N 3.08Å | ||
| 226 | R | 56.9 | Low | 64.1 | Low | 254 Ų | 254 | 110 Ų | 110 | 96% | 0.958 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 17.3 | -178.9 | -142.7 | -179.3 | -166.3 | -171.5 | 4.2 | 114.3 | ||
| 227 | A | 59.5 | Low | 66.7 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 74% | 0.744 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | -3.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S225 | S225-A227 PolarHBondContact O-N 2.94Å; S225-A227 VanDerWaalsContact O-N 3.08Å |
| 228 | F | 74.2 | Confident | 69.1 | Low | 55 Ų | 55 | 105.3 Ų | 105.3 | 24% | 0.241 | 58% | 0.581 | C | S | . | * | trans | -138.6 | 103.6 | -179.3 | -165.5 | -120.1 | 0 | 0 | 0 | 110.8 | I155 P157 C230 W265 | I155-F228 HydrophobicContact CB-CZ 4.14Å; I155-F228 HydrophobicContact CG2-CZ 3.81Å; I155-F228 WeakPolarHBondContact O-CE1 3.44Å; I155-F228 VanDerWaalsContact O-CZ 3.31Å; I155-F228 WeakPolarHBondContact O-CZ 3.14Å; P157-F228 HydrophobicContact CB-CD2 4Å; P157-F228 HydrophobicContact CB-CE2 4.12Å; P157-F228 HydrophobicContact CG-CD2 4.19Å; P157-F228 HydrophobicContact CG-CE2 4.42Å; F228-C230 HydrophobicContact CD1-CB 3.87Å; F228-C230 WeakPolarHBondContact CD1-O 3.14Å; F228-C230 HydrophobicContact CE1-CB 3.4Å; F228-C230 VanDerWaalsContact CE1-CB 3.4Å; F228-C230 HydrophobicContact CE2-CB 4.23Å; F228-C230 HydrophobicContact CG-CB 4.48Å; F228-C230 HydrophobicContact CZ-CB 3.59Å; F228-C230 PolarHBondContact O-N 2.98Å; F228-C230 VanDerWaalsContact O-N 3.1Å; F228-W265 HydrophobicContact CE1-CZ3 4.39Å | ||
| 229 | N | 85.4 | Confident | 71.7 | Confident | 76 Ų | 76 | 108.1 Ų | 108.1 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | trans | -85.4 | 30.8 | -176.4 | -36.8 | -53.7 | 0 | 0 | 0 | 111.9 | C267 A268 F271 | N229-C267 CarbonylContact O-C 3.49Å; N229-C267 WeakPolarHBondContact O-CA 2.95Å; N229-A268 HydrophobicContact CB-CB 4.06Å; N229-A268 PolarHBondContact O-N 2.72Å; N229-F271 HydrophobicContact CB-CE2 3.3Å; N229-F271 HydrophobicContact CB-CZ 3.44Å; N229-F271 VanDerWaalsContact CB-CZ 3.44Å; N229-F271 WeakPolarHBondContact ND2-CE2 3.38Å; N229-F271 WeakPolarHBondContact ND2-CZ 3.12Å | ||
| 230 | C | 88.6 | Confident | 73.8 | Confident | 8 Ų | 8 | 105.4 Ų | 105.4 | 5% | 0.054 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 128 | 173.1 | -71.6 | 0 | 0 | 0 | 0 | 108.2 | F228 W265 L266 C267 | F228-C230 HydrophobicContact CD1-CB 3.87Å; F228-C230 WeakPolarHBondContact CD1-O 3.14Å; F228-C230 HydrophobicContact CE1-CB 3.4Å; F228-C230 VanDerWaalsContact CE1-CB 3.4Å; F228-C230 HydrophobicContact CE2-CB 4.23Å; F228-C230 HydrophobicContact CG-CB 4.48Å; F228-C230 HydrophobicContact CZ-CB 3.59Å; F228-C230 PolarHBondContact O-N 2.98Å; F228-C230 VanDerWaalsContact O-N 3.1Å; C230-W265 HydrophobicContact CB-CE3 4.37Å; C230-L266 VanDerWaalsContact CA-O 3.32Å; C230-L266 WeakPolarHBondContact CA-O 3.2Å; C230-C267 HydrophobicContact CB-CB 4.13Å; C230-C267 WeakPolarHBondContact CB-SG 3.45Å; C230-C267 WeakPolarHBondContact SG-CB 3.02Å; C230-C267 CovalentContact SG-SG 2.03Å; C230-C267 PolarHBondContact SG-SG 2.76Å |
| 231 | H | 90.9 | Very high | 75.9 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.4 | 177.9 | 59.3 | -82 | 0 | 0 | 0 | 110.5 | E233 W265 L266 | H231-E233 PolarHBondContact O-N 2.73Å; H231-W265 CarbonylContact O-C 3.6Å; H231-W265 WeakPolarHBondContact O-CA 3.14Å; H231-L266 PolarHBondContact N-O 2.82Å; H231-L266 PolarHBondContact ND1-O 2.87Å; H231-L266 PolarHBondContact O-N 2.88Å |
| 232 | V | 92.3 | Very high | 78.2 | Confident | 63 Ų | 63 | 109.9 Ų | 109.9 | 38% | 0.382 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.8 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | E235 W265 | V232-E235 HydrophobicContact CG1-CB 4.14Å; V232-W265 HydrophobicContact CG2-CD2 3.92Å; V232-W265 HydrophobicContact CG2-CE3 4.06Å; V232-W265 HydrophobicContact CG2-CH2 3.57Å; V232-W265 HydrophobicContact CG2-CZ2 3.38Å; V232-W265 HydrophobicContact CG2-CZ3 3.91Å |
| 233 | E | 93.8 | Very high | 80.3 | Confident | 117 Ų | 117 | 112.2 Ų | 112.2 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -39.5 | 173.7 | -176.8 | -175.7 | -179.8 | 0 | 0 | 110.4 | H231 A264 L266 | H231-E233 PolarHBondContact O-N 2.73Å; E233-A264 PolarHBondContact N-O 3.02Å; E233-L266 HydrophobicContact CB-CB 4.34Å |
| 234 | Y | 91.5 | Very high | 82.1 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 137.9 | -177.2 | 176.1 | -102.5 | 0 | 0 | 0 | 110.6 | K236 Q262 A263 A264 | Y234-K236 HydrophobicContact CE1-CB 3.7Å; Y234-K236 HydrophobicContact CE2-CB 4.34Å; Y234-K236 VanDerWaalsContact OH-CB 3.26Å; Y234-K236 WeakPolarHBondContact OH-CB 3.2Å; Y234-K236 WeakPolarHBondContact OH-CD 3.22Å; Y234-Q262 HydrophobicContact CE1-CB 4.41Å; Y234-A263 CarbonylContact O-C 3.56Å; Y234-A263 VanDerWaalsContact O-CA 3.3Å; Y234-A263 WeakPolarHBondContact O-CA 3.23Å; Y234-A264 PolarHBondContact N-O 2.75Å; Y234-A264 PolarHBondContact O-N 3.45Å |
| 235 | E | 93.1 | Very high | 84 | Confident | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 132.7 | 167.9 | -173.1 | 175 | -172.5 | 0 | 0 | 109.5 | V232 Q262 A263 | V232-E235 HydrophobicContact CG1-CB 4.14Å; E235-Q262 CarbonylContact C-O 3.58Å; E235-Q262 WeakPolarHBondContact CA-O 3.42Å; E235-A263 HydrophobicContact CG-CB 4.46Å |
| 236 | K | 92.8 | Very high | 85.9 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 124.5 | 173.5 | 177.7 | 170.1 | -179.8 | 174.6 | 0 | 109.6 | Y234 S261 Q262 | Y234-K236 HydrophobicContact CE1-CB 3.7Å; Y234-K236 HydrophobicContact CE2-CB 4.34Å; Y234-K236 VanDerWaalsContact OH-CB 3.26Å; Y234-K236 WeakPolarHBondContact OH-CB 3.2Å; Y234-K236 WeakPolarHBondContact OH-CD 3.22Å; K236-S261 CarbonylContact O-C 3.56Å; K236-S261 VanDerWaalsContact O-CA 3.23Å; K236-S261 WeakPolarHBondContact O-CA 3.01Å; K236-S261 PolarHBondContact O-OG 3.28Å; K236-Q262 PolarHBondContact N-O 2.97Å; K236-Q262 PolarHBondContact O-N 2.84Å |
| 237 | T | 91.6 | Very high | 87.2 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122 | 176.6 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | R239 T259 S261 | T237-R239 HydrophobicContact CG2-CG 4.16Å; T237-T259 HydrophobicContact CG2-CG2 3.75Å; T237-S261 WeakPolarHBondContact OG1-CB 3.39Å; T237-S261 PolarHBondContact OG1-OG 2.94Å |
| 238 | N | 90.4 | Very high | 88.3 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124 | 173.2 | -173.3 | -27.1 | 0 | 0 | 0 | 108.8 | T259 Q260 | N238-T259 WeakPolarHBondContact O-CA 3.28Å; N238-Q260 PolarHBondContact N-O 3.17Å; N238-Q260 PolarHBondContact O-N 3.21Å; N238-Q260 VanDerWaalsContact O-O 3.13Å |
| 239 | R | 90.2 | Very high | 89.1 | Confident | 138 Ų | 138 | 101.9 Ų | 101.9 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.6 | 176 | -61.7 | -167.9 | 175.9 | 118.2 | -5 | 109.3 | T237 T259 | T237-R239 HydrophobicContact CG2-CG 4.16Å; R239-T259 HydrophobicContact CG-CG2 3.96Å |
| 240 | A | 89.1 | Confident | 89.2 | Confident | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | H258 | A240-H258 PolarHBondContact N-O 2.75Å; A240-H258 PolarHBondContact O-N 2.88Å |
| 241 | R | 88.4 | Confident | 89.2 | Confident | 162 Ų | 162 | 107.8 Ų | 107.8 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135 | 174.9 | -69.8 | -179.4 | -178.9 | 179.9 | -2.6 | 109.9 | T256 E257 | R241-T256 WeakPolarHBondContact CA-O 3.46Å; R241-E257 HydrophobicContact CG-CB 4.19Å; R241-E257 HydrophobicContact CG-CG 3.95Å; R241-E257 IonicContact CZ-OE2 3.62Å; R241-E257 IonicContact NE-OE2 2.8Å; R241-E257 PolarHBondContact NE-OE2 2.9Å; R241-E257 IonicContact NH2-OE2 3.3Å; R241-E257 PolarHBondContact NH2-OE2 2.83Å |
| 242 | K | 87.6 | Confident | 89.1 | Confident | 116 Ų | 116 | 108.3 Ų | 108.3 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 119.9 | 173.7 | -172.5 | 173 | -172 | 172.4 | 0 | 110 | R244 T256 | K242-R244 VanDerWaalsContact NZ-NH2 3.19Å; K242-T256 PolarHBondContact N-O 2.85Å; K242-T256 PolarHBondContact O-N 2.9Å; K242-T256 PolarHBondContact O-OG1 3.44Å; K242-T256 VanDerWaalsContact O-OG1 3.1Å |
| 243 | H | 88.4 | Confident | 88.9 | Confident | 132 Ų | 132 | 110.1 Ų | 110.1 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 137.9 | 174.5 | -66.3 | -86.2 | 0 | 0 | 0 | 110.5 | V253 C254 | H243-V253 HydrophobicContact CB-CG1 3.87Å; H243-C254 WeakPolarHBondContact CA-O 3.45Å |
| 244 | R | 84.3 | Confident | 88.5 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 50% | 0.502 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141.9 | 177.7 | -67.3 | -65.2 | -164.5 | 161.9 | 8.3 | 108.7 | K242 C254 | K242-R244 VanDerWaalsContact NZ-NH2 3.19Å; R244-C254 PolarHBondContact N-O 2.84Å; R244-C254 CarbonylContact O-C 3.6Å; R244-C254 VanDerWaalsContact O-CA 3.3Å; R244-C254 WeakPolarHBondContact O-CA 3.02Å; R244-C254 WeakPolarHBondContact O-CB 3.46Å; R244-C254 PolarHBondContact O-N 2.86Å |
| 245 | P | 87.3 | Confident | 88.2 | Confident | 97 Ų | 97 | 106.9 Ų | 106.9 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56 | 141.5 | 169 | -22.8 | 33.7 | 0 | 0 | 0 | 110.8 | ||
| 246 | C | 87.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 104.5 Ų | 104.5 | 14% | 0.135 | 53% | 0.526 | C | S | . | . | trans | -69.3 | 148.7 | 177 | -58.5 | 0 | 0 | 0 | 0 | 111 | D249 Q252 C254 | C246-D249 WeakPolarHBondContact CB-O 3.23Å; C246-D249 CarbonylContact O-C 3.55Å; C246-Q252 HydrophobicContact CB-CB 4.43Å; C246-Q252 PolarHBondContact N-O 2.87Å; C246-Q252 VanDerWaalsContact N-O 3.08Å; C246-Q252 PolarHBondContact SG-O 2.88Å; C246-C254 VanDerWaalsContact CA-SG 3.57Å; C246-C254 HydrophobicContact CB-CB 4.08Å; C246-C254 WeakPolarHBondContact CB-SG 3.47Å; C246-C254 VanDerWaalsContact SG-CA 3.57Å; C246-C254 WeakPolarHBondContact SG-CB 3.39Å; C246-C254 PolarHBondContact SG-N 2.9Å; C246-C254 CovalentContact SG-SG 2.03Å; C246-C254 PolarHBondContact SG-SG 3.24Å | ||
| 247 | L | 83.5 | Confident | 87.5 | Confident | 154 Ų | 154 | 99.4 Ų | 99.4 | 81% | 0.806 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -66.9 | -38.7 | -177.1 | -175.9 | 68 | 0 | 0 | 0 | 113 | ||
| 248 | Y | 83.4 | Confident | 87.4 | Confident | 222 Ų | 222 | 100.4 Ų | 100.4 | 87% | 0.871 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -92.7 | -16.1 | -174.4 | -63.3 | -77.4 | 0 | 0 | 0 | 113.5 | ||
| 249 | D | 90.9 | Very high | 87.4 | Confident | 51 Ų | 51 | 96.3 Ų | 96.3 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | trans | -150.3 | 99.7 | 177.6 | -177.4 | -1.8 | 0 | 0 | 0 | 109.9 | C246 S251 Q252 | C246-D249 WeakPolarHBondContact CB-O 3.23Å; C246-D249 CarbonylContact O-C 3.55Å; D249-S251 VanDerWaalsContact CG-OG 3.25Å; D249-S251 PolarHBondContact O-N 2.76Å; D249-S251 WeakPolarHBondContact OD1-CB 3.34Å; D249-S251 PolarHBondContact OD1-N 3.2Å; D249-S251 PolarHBondContact OD1-OG 3.48Å; D249-S251 PolarHBondContact OD2-OG 2.78Å; D249-Q252 HydrophobicContact CB-CG 4.43Å; D249-Q252 PolarHBondContact O-N 2.68Å; D249-Q252 VanDerWaalsContact O-N 3.16Å; D249-Q252 WeakPolarHBondContact OD2-CG 3.44Å; D249-Q252 PolarHBondContact OD2-NE2 2.65Å | ||
| 250 | P | 87.6 | Confident | 87.4 | Confident | 108 Ų | 108 | 92.5 Ų | 92.5 | 70% | 0.701 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.4 | -178.2 | 29 | -34.5 | 0 | 0 | 0 | 113.6 | Q252 | P250-Q252 VanDerWaalsContact C-N 3.26Š|
| 251 | S | 89.4 | Confident | 87.6 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 70% | 0.699 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.9 | 173.2 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | D249 | D249-S251 VanDerWaalsContact CG-OG 3.25Å; D249-S251 PolarHBondContact O-N 2.76Å; D249-S251 WeakPolarHBondContact OD1-CB 3.34Å; D249-S251 PolarHBondContact OD1-N 3.2Å; D249-S251 PolarHBondContact OD1-OG 3.48Å; D249-S251 PolarHBondContact OD2-OG 2.78Å |
| 252 | Q | 88.8 | Confident | 87.8 | Confident | 114 Ų | 114 | 86 Ų | 86 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -98 | 141.9 | 176.7 | -66.6 | -177.8 | 38.9 | 0 | 0 | 112 | C246 D249 P250 | C246-Q252 HydrophobicContact CB-CB 4.43Å; C246-Q252 PolarHBondContact N-O 2.87Å; C246-Q252 VanDerWaalsContact N-O 3.08Å; C246-Q252 PolarHBondContact SG-O 2.88Å; D249-Q252 HydrophobicContact CB-CG 4.43Å; D249-Q252 PolarHBondContact O-N 2.68Å; D249-Q252 VanDerWaalsContact O-N 3.16Å; D249-Q252 WeakPolarHBondContact OD2-CG 3.44Å; D249-Q252 PolarHBondContact OD2-NE2 2.65Å; P250-Q252 VanDerWaalsContact C-N 3.26Å |
| 253 | V | 87.8 | Confident | 88.1 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.1 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | H243 | H243-V253 HydrophobicContact CB-CG1 3.87Å |
| 254 | C | 85.8 | Confident | 88.3 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 37% | 0.372 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 162 | 168.5 | -81.2 | 0 | 0 | 0 | 0 | 110.4 | H243 R244 C246 | H243-C254 WeakPolarHBondContact CA-O 3.45Å; R244-C254 PolarHBondContact N-O 2.84Å; R244-C254 CarbonylContact O-C 3.6Å; R244-C254 VanDerWaalsContact O-CA 3.3Å; R244-C254 WeakPolarHBondContact O-CA 3.02Å; R244-C254 WeakPolarHBondContact O-CB 3.46Å; R244-C254 PolarHBondContact O-N 2.86Å; C246-C254 VanDerWaalsContact CA-SG 3.57Å; C246-C254 HydrophobicContact CB-CB 4.08Å; C246-C254 WeakPolarHBondContact CB-SG 3.47Å; C246-C254 VanDerWaalsContact SG-CA 3.57Å; C246-C254 WeakPolarHBondContact SG-CB 3.39Å; C246-C254 PolarHBondContact SG-N 2.9Å; C246-C254 CovalentContact SG-SG 2.03Å; C246-C254 PolarHBondContact SG-SG 3.24Å |
| 255 | F | 85.1 | Confident | 88.8 | Confident | 101 Ų | 101 | 69.9 Ų | 69.9 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.6 | 173.5 | 56.4 | -94.3 | 0 | 0 | 0 | 110.4 | L148 | L148-F255 HydrophobicContact CB-CE2 3.9Å; L148-F255 HydrophobicContact CD1-CD2 4.04Å; L148-F255 HydrophobicContact CD1-CE2 3.26Å; L148-F255 HydrophobicContact CD1-CZ 3.9Å; L148-F255 HydrophobicContact CD2-CE2 4.01Å; L148-F255 HydrophobicContact CD2-CZ 4.07Å; L148-F255 HydrophobicContact CG-CE2 3.88Å; L148-F255 HydrophobicContact CG-CZ 4.42Å |
| 256 | T | 83.4 | Confident | 89 | Confident | 76 Ų | 76 | 67 Ų | 67 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.2 | 167.2 | 52 | 0 | 0 | 0 | 0 | 107 | R241 K242 | R241-T256 WeakPolarHBondContact CA-O 3.46Å; K242-T256 PolarHBondContact N-O 2.85Å; K242-T256 PolarHBondContact O-N 2.9Å; K242-T256 PolarHBondContact O-OG1 3.44Å; K242-T256 VanDerWaalsContact O-OG1 3.1Å |
| 257 | E | 87.3 | Confident | 89.1 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.1 | 178.7 | -175 | 176.4 | 83.5 | 0 | 0 | 109 | S146 S147 L148 R241 | S146-E257 CarbonylContact C-O 3.59Å; S146-E257 VanDerWaalsContact O-O 3.08Å; S147-E257 PolarHBondContact N-O 2.77Å; L148-E257 HydrophobicContact CD1-CB 4.46Å; R241-E257 HydrophobicContact CG-CB 4.19Å; R241-E257 HydrophobicContact CG-CG 3.95Å; R241-E257 IonicContact CZ-OE2 3.62Å; R241-E257 IonicContact NE-OE2 2.8Å; R241-E257 PolarHBondContact NE-OE2 2.9Å; R241-E257 IonicContact NH2-OE2 3.3Å; R241-E257 PolarHBondContact NH2-OE2 2.83Å |
| 258 | H | 89.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.5 | 172.2 | -177.4 | -78.8 | 0 | 0 | 0 | 108.7 | N144 S145 A240 | N144-H258 VanDerWaalsContact CG-CE1 3.49Å; N144-H258 VanDerWaalsContact CG-NE2 3.31Å; N144-H258 PolarHBondContact ND2-CE1 3.14Å; N144-H258 PolarHBondContact ND2-NE2 3.44Å; N144-H258 PolarHBondContact OD1-CD2 2.77Å; N144-H258 PolarHBondContact OD1-CE1 2.87Å; N144-H258 PolarHBondContact OD1-NE2 3.12Å; S145-H258 CarbonylContact O-C 3.57Å; S145-H258 WeakPolarHBondContact O-CA 3.22Å; A240-H258 PolarHBondContact N-O 2.75Å; A240-H258 PolarHBondContact O-N 2.88Å |
| 259 | T | 89.9 | Confident | 89 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.1 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | N144 S145 T237 N238 R239 | N144-T259 WeakPolarHBondContact CA-O 3.04Å; S145-T259 PolarHBondContact N-O 2.89Å; S145-T259 PolarHBondContact O-N 3.11Å; S145-T259 WeakPolarHBondContact OG-CB 3.41Å; S145-T259 PolarHBondContact OG-O 2.66Å; T237-T259 HydrophobicContact CG2-CG2 3.75Å; N238-T259 WeakPolarHBondContact O-CA 3.28Å; R239-T259 HydrophobicContact CG-CG2 3.96Å |
| 260 | Q | 91.4 | Very high | 87.7 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.7 | 170.5 | 178 | 178.5 | 79.8 | 0 | 0 | 108.7 | R142 H143 N238 | R142-Q260 VanDerWaalsContact NH2-NE2 3.1Å; H143-Q260 WeakPolarHBondContact O-CA 3.45Å; N238-Q260 PolarHBondContact N-O 3.17Å; N238-Q260 PolarHBondContact O-N 3.21Å; N238-Q260 VanDerWaalsContact O-O 3.13Å |
| 261 | S | 91.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.2 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | R142 H143 K236 T237 | R142-S261 WeakPolarHBondContact CA-O 3.31Å; H143-S261 WeakPolarHBondContact CE1-CB 3.39Å; H143-S261 PolarHBondContact CE1-OG 2.83Å; H143-S261 VanDerWaalsContact CE1-OG 3.28Å; H143-S261 PolarHBondContact N-O 3.22Å; H143-S261 WeakPolarHBondContact ND1-CB 3.37Å; H143-S261 WeakPolarHBondContact NE2-CB 3.5Å; H143-S261 PolarHBondContact O-N 2.98Å; K236-S261 CarbonylContact O-C 3.56Å; K236-S261 VanDerWaalsContact O-CA 3.23Å; K236-S261 WeakPolarHBondContact O-CA 3.01Å; K236-S261 PolarHBondContact O-OG 3.28Å; T237-S261 WeakPolarHBondContact OG1-CB 3.39Å; T237-S261 PolarHBondContact OG1-OG 2.94Å |
| 262 | Q | 93.2 | Very high | 85.3 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.8 | 178.4 | -65.6 | 175.7 | -26.4 | 0 | 0 | 107.2 | F141 R142 Y234 E235 K236 | F141-Q262 CarbonylContact O-C 3.49Å; F141-Q262 VanDerWaalsContact O-CA 3.31Å; F141-Q262 WeakPolarHBondContact O-CA 3.38Å; R142-Q262 HydrophobicContact CG-CG 4.35Å; Y234-Q262 HydrophobicContact CE1-CB 4.41Å; E235-Q262 CarbonylContact C-O 3.58Å; E235-Q262 WeakPolarHBondContact CA-O 3.42Å; K236-Q262 PolarHBondContact N-O 2.97Å; K236-Q262 PolarHBondContact O-N 2.84Å |
| 263 | A | 93.5 | Very high | 84.7 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y140 F141 Y234 E235 | Y140-A263 CarbonylContact C-O 3.47Å; Y140-A263 WeakPolarHBondContact CA-O 3.19Å; F141-A263 HydrophobicContact CB-CB 4.45Å; F141-A263 PolarHBondContact N-O 2.84Å; F141-A263 PolarHBondContact O-N 3.28Å; Y234-A263 CarbonylContact O-C 3.56Å; Y234-A263 VanDerWaalsContact O-CA 3.3Å; Y234-A263 WeakPolarHBondContact O-CA 3.23Å; E235-A263 HydrophobicContact CG-CB 4.46Å |
| 264 | A | 93.5 | Very high | 84.5 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | V139 Y140 E233 Y234 | V139-A264 WeakPolarHBondContact O-CA 3.49Å; Y140-A264 HydrophobicContact CD1-CB 3.62Å; Y140-A264 HydrophobicContact CE1-CB 3.62Å; E233-A264 PolarHBondContact N-O 3.02Å; Y234-A264 PolarHBondContact N-O 2.75Å; Y234-A264 PolarHBondContact O-N 3.45Å |
| 265 | W | 93.7 | Very high | 84.6 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.1 | 175 | -72.6 | 74.3 | 0 | 0 | 0 | 109 | S138 V139 F141 I155 F228 C230 H231 V232 | S138-W265 CarbonylContact C-O 3.46Å; S138-W265 WeakPolarHBondContact CA-O 3.31Å; V139-W265 HydrophobicContact CB-CB 4.45Å; V139-W265 PolarHBondContact N-O 2.88Å; V139-W265 PolarHBondContact O-N 2.84Å; F141-W265 AromaticContact CD2-CD1 3.7Å; F141-W265 AromaticContact CE2-CD1 3.76Å; F141-W265 HydrophobicContact CE2-CG 4.45Å; I155-W265 HydrophobicContact CB-CD2 4.22Å; I155-W265 HydrophobicContact CB-CE3 4.11Å; I155-W265 HydrophobicContact CB-CZ3 4.46Å; I155-W265 HydrophobicContact CD1-CB 3.45Å; I155-W265 VanDerWaalsContact CD1-CB 3.45Å; I155-W265 HydrophobicContact CD1-CD2 4.06Å; I155-W265 HydrophobicContact CD1-CE3 4.39Å; I155-W265 HydrophobicContact CD1-CG 3.66Å; I155-W265 HydrophobicContact CG1-CB 4.16Å; I155-W265 HydrophobicContact CG1-CD2 3.82Å; I155-W265 HydrophobicContact CG1-CE3 4.19Å; I155-W265 HydrophobicContact CG1-CG 3.8Å; F228-W265 HydrophobicContact CE1-CZ3 4.39Å; C230-W265 HydrophobicContact CB-CE3 4.37Å; H231-W265 CarbonylContact O-C 3.6Å; H231-W265 WeakPolarHBondContact O-CA 3.14Å; V232-W265 HydrophobicContact CG2-CD2 3.92Å; V232-W265 HydrophobicContact CG2-CE3 4.06Å; V232-W265 HydrophobicContact CG2-CH2 3.57Å; V232-W265 HydrophobicContact CG2-CZ2 3.38Å; V232-W265 HydrophobicContact CG2-CZ3 3.91Å |
| 266 | L | 92 | Very high | 84.9 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.4 | 172.4 | -175.5 | 66 | 0 | 0 | 0 | 108.9 | S138 C230 H231 E233 | S138-L266 WeakPolarHBondContact OG-CD1 3.38Å; C230-L266 VanDerWaalsContact CA-O 3.32Å; C230-L266 WeakPolarHBondContact CA-O 3.2Å; H231-L266 PolarHBondContact N-O 2.82Å; H231-L266 PolarHBondContact ND1-O 2.87Å; H231-L266 PolarHBondContact O-N 2.88Å; E233-L266 HydrophobicContact CB-CB 4.34Å |
| 267 | C | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.9 | -179.3 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | T136 F137 N229 C230 | T136-C267 CarbonylContact C-O 3.6Å; T136-C267 WeakPolarHBondContact CA-O 3.02Å; T136-C267 WeakPolarHBondContact CB-O 3.47Å; F137-C267 HydrophobicContact CD1-CB 3.92Å; F137-C267 HydrophobicContact CD2-CB 3.96Å; F137-C267 HydrophobicContact CE1-CB 3.41Å; F137-C267 VanDerWaalsContact CE1-CB 3.41Å; F137-C267 HydrophobicContact CE2-CB 3.47Å; F137-C267 VanDerWaalsContact CE2-CB 3.47Å; F137-C267 HydrophobicContact CG-CB 4.18Å; F137-C267 HydrophobicContact CZ-CB 3.17Å; F137-C267 PolarHBondContact N-O 3.33Å; F137-C267 PolarHBondContact O-N 2.92Å; N229-C267 CarbonylContact O-C 3.49Å; N229-C267 WeakPolarHBondContact O-CA 2.95Å; C230-C267 HydrophobicContact CB-CB 4.13Å; C230-C267 WeakPolarHBondContact CB-SG 3.45Å; C230-C267 WeakPolarHBondContact SG-CB 3.02Å; C230-C267 CovalentContact SG-SG 2.03Å; C230-C267 PolarHBondContact SG-SG 2.76Å |
| 268 | A | 88.2 | Confident | 85.3 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 138.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T136 N229 F271 | T136-A268 HydrophobicContact CG2-CB 4.26Å; N229-A268 HydrophobicContact CB-CB 4.06Å; N229-A268 PolarHBondContact O-N 2.72Å; A268-F271 WeakPolarHBondContact O-CD2 3.3Å; A268-F271 WeakPolarHBondContact O-CE2 2.82Å |
| 269 | K | 77.6 | Confident | 85.4 | Confident | 75 Ų | 75 | 34.8 Ų | 34.8 | 33% | 0.326 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -60.9 | 152.7 | 168 | -72.6 | 168.7 | -167.6 | 157.3 | 0 | 109.6 | D131 G135 | D131-K269 WeakPolarHBondContact OD1-CE 3.46Å; D131-K269 IonicContact OD1-NZ 2.65Å; D131-K269 PolarHBondContact OD1-NZ 2.83Å; D131-K269 IonicContact OD2-NZ 2.78Å; D131-K269 PolarHBondContact OD2-NZ 3.09Å; G135-K269 VanDerWaalsContact O-CB 3.31Å; G135-K269 WeakPolarHBondContact O-CB 3.26Å; G135-K269 WeakPolarHBondContact O-CD 3.45Å; G135-K269 VanDerWaalsContact O-CG 3.29Å; G135-K269 WeakPolarHBondContact O-CG 3.17Å; G135-K269 PolarHBondContact O-N 2.94Å; G135-K269 VanDerWaalsContact O-N 3.1Å |
| 270 | P | 62.4 | Low | 85.2 | Confident | 116 Ų | 116 | 34.8 Ų | 34.8 | 75% | 0.753 | 18% | 0.18 | S | C | * | . | S | Bend | cis | -106.1 | 84 | 18.2 | 37.8 | -30.7 | 0 | 0 | 0 | 113.2 | ||
| 271 | F | 65.1 | Low | 85 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 21% | 0.211 | 19% | 0.19 | C | C | . | . | trans | -102.3 | 130.4 | 170.6 | -62.1 | -54.7 | 0 | 0 | 0 | 111.7 | N229 A268 I274 | N229-F271 HydrophobicContact CB-CE2 3.3Å; N229-F271 HydrophobicContact CB-CZ 3.44Å; N229-F271 VanDerWaalsContact CB-CZ 3.44Å; N229-F271 WeakPolarHBondContact ND2-CE2 3.38Å; N229-F271 WeakPolarHBondContact ND2-CZ 3.12Å; A268-F271 WeakPolarHBondContact O-CD2 3.3Å; A268-F271 WeakPolarHBondContact O-CE2 2.82Å; F271-I274 HydrophobicContact CB-CG2 4.4Å | ||
| 272 | K | 62.8 | Low | 84.6 | Confident | 162 Ų | 162 | 37.3 Ų | 37.3 | 70% | 0.704 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -100.1 | -26.3 | 174.3 | -63.7 | -178.3 | -179.1 | 177.4 | 0 | 112.3 | ||
| 273 | V | 75.1 | Confident | 83.9 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.085 | 22% | 0.218 | C | C | . | . | trans | -139.1 | 121.8 | -177.9 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | P158 D294 Q298 | P158-V273 HydrophobicContact CG-CB 4.01Å; P158-V273 HydrophobicContact CG-CG1 3.67Å; V273-D294 HydrophobicContact CG2-CB 4.34Å; V273-Q298 HydrophobicContact CG2-CG 4Å | ||
| 274 | I | 84.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | trans | -122.3 | 152.1 | 168.2 | 55.6 | 168.8 | 0 | 0 | 0 | 108.6 | W109 F137 I155 F271 | W109-I274 HydrophobicContact CH2-CD1 3.61Å; W109-I274 HydrophobicContact CH2-CG1 3.94Å; W109-I274 HydrophobicContact CZ2-CD1 3.68Å; W109-I274 HydrophobicContact CZ2-CG1 3.58Å; F137-I274 HydrophobicContact CE2-CD1 3.77Å; F137-I274 HydrophobicContact CZ-CD1 4.02Å; I155-I274 HydrophobicContact CD1-CD1 4.44Å; I155-I274 HydrophobicContact CG2-CB 3.76Å; I155-I274 HydrophobicContact CG2-CD1 3.98Å; I155-I274 HydrophobicContact CG2-CG1 4.38Å; I155-I274 HydrophobicContact CG2-CG2 4.16Å; F271-I274 HydrophobicContact CB-CG2 4.4Å | ||
| 275 | C | 87.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.6 | 175.2 | -57 | 0 | 0 | 0 | 0 | 110.2 | I155 V156 P158 K290 V291 C292 | I155-C275 CarbonylContact C-O 3.57Å; I155-C275 WeakPolarHBondContact CA-O 3.45Å; V156-C275 HydrophobicContact CG2-CB 3.89Å; V156-C275 PolarHBondContact N-O 2.03Å; V156-C275 PolarHBondContact O-N 3.15Å; P158-C275 VanDerWaalsContact CA-SG 3.53Å; C275-K290 HydrophobicContact CB-CD 4.14Å; C275-K290 HydrophobicContact CB-CG 3.84Å; C275-V291 CarbonylContact C-O 3.37Å; C275-V291 WeakPolarHBondContact CA-O 3.22Å; C275-C292 HydrophobicContact CB-CB 4.09Å; C275-C292 WeakPolarHBondContact CB-SG 3.41Å; C275-C292 WeakPolarHBondContact SG-CB 3.32Å; C275-C292 CovalentContact SG-SG 2.03Å; C275-C292 PolarHBondContact SG-SG 2.96Å |
| 276 | I | 90.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.8 | 172.9 | -55.4 | 170 | 0 | 0 | 0 | 106.7 | W109 F112 F141 V153 V278 K290 V291 | W109-I276 HydrophobicContact CZ3-CD1 4.01Å; F112-I276 HydrophobicContact CB-CD1 4.08Å; F112-I276 HydrophobicContact CD1-CD1 4.2Å; F112-I276 HydrophobicContact CD2-CD1 3.7Å; F112-I276 HydrophobicContact CE1-CG2 4.35Å; F112-I276 HydrophobicContact CE2-CD1 4.14Å; F112-I276 HydrophobicContact CG-CD1 3.72Å; F112-I276 HydrophobicContact CZ-CG2 4.35Å; F141-I276 HydrophobicContact CE1-CD1 4.12Å; F141-I276 HydrophobicContact CE1-CG1 4.33Å; F141-I276 HydrophobicContact CE1-CG2 3.98Å; F141-I276 HydrophobicContact CZ-CD1 4.36Å; F141-I276 HydrophobicContact CZ-CG1 4.15Å; F141-I276 HydrophobicContact CZ-CG2 4.11Å; V153-I276 HydrophobicContact CG1-CG2 4.08Å; I276-V278 HydrophobicContact CG2-CG2 4.15Å; I276-K290 CarbonylContact O-C 3.56Å; I276-K290 WeakPolarHBondContact O-CA 3.29Å; I276-V291 PolarHBondContact N-O 2.92Å; I276-V291 PolarHBondContact O-N 3.1Å |
| 277 | F | 91.1 | Very high | 82.1 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.3 | 174.9 | -173.2 | -98.9 | 0 | 0 | 0 | 109.1 | V153 S154 V156 V162 V288 Q289 K290 | V153-F277 WeakPolarHBondContact CA-O 3.04Å; S154-F277 PolarHBondContact N-O 2.8Å; S154-F277 PolarHBondContact O-N 3.3Å; V156-F277 HydrophobicContact CG1-CB 3.83Å; V156-F277 HydrophobicContact CG1-CG 4.48Å; V156-F277 HydrophobicContact CG2-CB 3.84Å; V162-F277 HydrophobicContact CG1-CE2 4.17Å; F277-V288 HydrophobicContact CD2-CG1 4.41Å; F277-V288 HydrophobicContact CE1-CG1 4.19Å; F277-V288 HydrophobicContact CE2-CG1 3.35Å; F277-V288 HydrophobicContact CZ-CG1 3.22Å; F277-Q289 CarbonylContact C-O 3.53Å; F277-Q289 WeakPolarHBondContact CA-O 3.46Å; F277-K290 HydrophobicContact CD2-CB 4.15Å |
| 278 | V | 90.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.6 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | F112 F114 V125 L151 V153 I276 V288 Q289 | F112-V278 HydrophobicContact CZ-CG2 4.48Å; F114-V278 HydrophobicContact CD1-CG1 4.27Å; F114-V278 HydrophobicContact CE1-CG1 4.1Å; V125-V278 HydrophobicContact CG2-CG1 4.39Å; L151-V278 HydrophobicContact CD1-CG1 4.33Å; V153-V278 HydrophobicContact CG1-CG2 4.38Å; V153-V278 HydrophobicContact CG2-CG1 4.43Å; V153-V278 HydrophobicContact CG2-CG2 4.45Å; I276-V278 HydrophobicContact CG2-CG2 4.15Å; V278-V288 CarbonylContact O-C 3.49Å; V278-V288 WeakPolarHBondContact O-CA 3.34Å; V278-Q289 PolarHBondContact N-O 3.03Å; V278-Q289 PolarHBondContact O-N 3.25Å |
| 279 | S | 89.3 | Confident | 82.1 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.6 | 171.3 | 78.8 | 0 | 0 | 0 | 0 | 110.7 | L151 S152 L287 | L151-S279 CarbonylContact C-O 3.53Å; L151-S279 WeakPolarHBondContact CA-O 3.26Å; S152-S279 PolarHBondContact N-O 2.8Å; S152-S279 PolarHBondContact O-N 2.82Å; S152-S279 PolarHBondContact OG-OG 2.88Å; S279-L287 CarbonylContact C-O 3.56Å; S279-L287 WeakPolarHBondContact CA-O 3.32Å |
| 280 | F | 87.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.7 | 177.1 | -178 | -110.5 | 0 | 0 | 0 | 109.1 | F121 S147 N150 L151 S282 K286 L287 | F121-F280 HydrophobicContact CD1-CD1 4.48Å; F121-F280 HydrophobicContact CD1-CE1 4.13Å; F121-F280 HydrophobicContact CD2-CD1 4.32Å; F121-F280 AromaticContact CD2-CE1 3.54Å; F121-F280 HydrophobicContact CD2-CE1 3.54Å; F121-F280 HydrophobicContact CD2-CE2 4.18Å; F121-F280 AromaticContact CD2-CZ 3.46Å; F121-F280 HydrophobicContact CD2-CZ 3.46Å; F121-F280 VanDerWaalsContact CD2-CZ 3.46Å; F121-F280 AromaticContact CE1-CD1 3.85Å; F121-F280 HydrophobicContact CE1-CD1 3.85Å; F121-F280 AromaticContact CE1-CE1 3.91Å; F121-F280 HydrophobicContact CE1-CE1 3.91Å; F121-F280 AromaticContact CE2-CD1 3.61Å; F121-F280 HydrophobicContact CE2-CD1 3.61Å; F121-F280 AromaticContact CE2-CD2 3.84Å; F121-F280 HydrophobicContact CE2-CD2 3.84Å; F121-F280 AromaticContact CE2-CE1 3.21Å; F121-F280 HydrophobicContact CE2-CE1 3.21Å; F121-F280 AromaticContact CE2-CE2 3.49Å; F121-F280 HydrophobicContact CE2-CE2 3.49Å; F121-F280 VanDerWaalsContact CE2-CE2 3.49Å; F121-F280 AromaticContact CE2-CG 3.89Å; F121-F280 HydrophobicContact CE2-CG 3.89Å; F121-F280 AromaticContact CE2-CZ 3.16Å; F121-F280 HydrophobicContact CE2-CZ 3.16Å; F121-F280 AromaticContact CG-CE1 3.91Å; F121-F280 HydrophobicContact CG-CE1 3.91Å; F121-F280 HydrophobicContact CG-CZ 4.26Å; F121-F280 HydrophobicContact CZ-CB 4.41Å; F121-F280 AromaticContact CZ-CD1 3.3Å; F121-F280 HydrophobicContact CZ-CD1 3.3Å; F121-F280 HydrophobicContact CZ-CD2 4.04Å; F121-F280 AromaticContact CZ-CE1 3.39Å; F121-F280 HydrophobicContact CZ-CE1 3.39Å; F121-F280 HydrophobicContact CZ-CE2 4.13Å; F121-F280 AromaticContact CZ-CG 3.63Å; F121-F280 HydrophobicContact CZ-CG 3.63Å; F121-F280 AromaticContact CZ-CZ 3.82Å; F121-F280 HydrophobicContact CZ-CZ 3.82Å; S147-F280 VanDerWaalsContact OG-CZ 3.27Å; S147-F280 WeakPolarHBondContact OG-CZ 3.5Å; N150-F280 WeakPolarHBondContact O-CA 2.94Å; L151-F280 HydrophobicContact CB-CD2 4.02Å; L151-F280 HydrophobicContact CD1-CB 3.65Å; L151-F280 HydrophobicContact CD1-CD2 3.61Å; L151-F280 HydrophobicContact CD1-CG 4.02Å; L151-F280 HydrophobicContact CG-CD2 4.46Å; F280-S282 VanDerWaalsContact CZ-CB 3.46Å; F280-K286 WeakPolarHBondContact O-CA 3.33Å; F280-L287 HydrophobicContact CB-CB 4.15Å; F280-L287 PolarHBondContact N-O 2.83Å; F280-L287 PolarHBondContact O-N 2.81Å |
| 281 | L | 85.6 | Confident | 83.8 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 109.5 | 174.9 | -176 | 60.1 | 0 | 0 | 0 | 109.1 | G149 N150 K286 | G149-L281 CarbonylContact C-O 3.6Å; G149-L281 WeakPolarHBondContact CA-O 3.12Å; N150-L281 PolarHBondContact N-O 2.87Å; N150-L281 PolarHBondContact O-N 2.86Å; L281-K286 HydrophobicContact CD1-CD 3.82Å; L281-K286 HydrophobicContact CD1-CG 3.7Å |
| 282 | S | 83.1 | Confident | 84.9 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 178.5 | 169.8 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | L148 F280 Y285 | L148-S282 VanDerWaalsContact O-CB 3.31Å; L148-S282 WeakPolarHBondContact O-CB 3.31Å; L148-S282 PolarHBondContact O-OG 3.26Å; F280-S282 VanDerWaalsContact CZ-CB 3.46Å; S282-Y285 PolarHBondContact N-O 2.76Å |
| 283 | F | 80.2 | Confident | 85.7 | Confident | 184 Ų | 184 | 48.1 Ų | 48.1 | 81% | 0.807 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -67.7 | -43.9 | 173.3 | -176.1 | -100.3 | 0 | 0 | 0 | 111.6 | ||
| 284 | D | 81.4 | Confident | 85.7 | Confident | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -94.9 | -20.3 | -175.3 | -67 | -35.6 | 0 | 0 | 0 | 113.4 | K120 | K120-D284 IonicContact NZ-OD2 3.82Š|
| 285 | Y | 80.2 | Confident | 85 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | trans | -138.8 | 141 | -170.4 | -60.5 | -83.7 | 0 | 0 | 0 | 112.3 | T118 F121 S282 | T118-Y285 HydrophobicContact CG2-CD1 4.37Å; T118-Y285 HydrophobicContact CG2-CE1 4.02Å; F121-Y285 HydrophobicContact CB-CD2 4.15Å; F121-Y285 HydrophobicContact CB-CE2 4.45Å; S282-Y285 PolarHBondContact N-O 2.76Å | ||
| 286 | K | 87.3 | Confident | 83.7 | Confident | 153 Ų | 153 | 60.1 Ų | 60.1 | 67% | 0.665 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.3 | 171.3 | -54.2 | -170.8 | -179 | 176 | 0 | 108.8 | F164 F280 L281 | F164-K286 HydrophobicContact CE1-CB 4.28Å; F280-K286 WeakPolarHBondContact O-CA 3.33Å; L281-K286 HydrophobicContact CD1-CD 3.82Å; L281-K286 HydrophobicContact CD1-CG 3.7Å |
| 287 | L | 85 | Confident | 82 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.8 | 177 | 171.3 | 81.3 | 0 | 0 | 0 | 108.6 | F114 V116 L123 S279 F280 | F114-L287 HydrophobicContact CE1-CD2 3.66Å; F114-L287 HydrophobicContact CZ-CD2 3.57Å; V116-L287 HydrophobicContact CG2-CD2 4.29Å; L123-L287 HydrophobicContact CD2-CD2 4.35Å; S279-L287 CarbonylContact C-O 3.56Å; S279-L287 WeakPolarHBondContact CA-O 3.32Å; F280-L287 HydrophobicContact CB-CB 4.15Å; F280-L287 PolarHBondContact N-O 2.83Å; F280-L287 PolarHBondContact O-N 2.81Å |
| 288 | V | 89.6 | Confident | 80.3 | Confident | 28 Ų | 28 | 71 Ų | 71 | 17% | 0.17 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 126.1 | 169.1 | -175 | 0 | 0 | 0 | 0 | 107.8 | V162 F164 F277 V278 | V162-V288 HydrophobicContact CG1-CB 4.21Å; V162-V288 HydrophobicContact CG1-CG1 3.45Å; V162-V288 VanDerWaalsContact CG1-CG1 3.45Å; F164-V288 HydrophobicContact CD1-CB 4.32Å; F164-V288 HydrophobicContact CD1-CG2 3.41Å; F164-V288 VanDerWaalsContact CD1-CG2 3.41Å; F164-V288 HydrophobicContact CD2-CG2 4.46Å; F164-V288 HydrophobicContact CE1-CB 3.97Å; F164-V288 HydrophobicContact CE1-CG2 3.4Å; F164-V288 HydrophobicContact CE2-CB 4.38Å; F164-V288 HydrophobicContact CE2-CG2 4.44Å; F164-V288 HydrophobicContact CG-CG2 3.98Å; F164-V288 HydrophobicContact CZ-CB 3.99Å; F164-V288 HydrophobicContact CZ-CG2 3.94Å; F277-V288 HydrophobicContact CD2-CG1 4.41Å; F277-V288 HydrophobicContact CE1-CG1 4.19Å; F277-V288 HydrophobicContact CE2-CG1 3.35Å; F277-V288 HydrophobicContact CZ-CG1 3.22Å; V278-V288 CarbonylContact O-C 3.49Å; V278-V288 WeakPolarHBondContact O-CA 3.34Å |
| 289 | Q | 88.4 | Confident | 78.4 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 129.2 | -179.5 | -166.2 | 178.6 | 41.1 | 0 | 0 | 110.5 | F114 F277 V278 V291 | F114-Q289 VanDerWaalsContact CD2-OE1 3.26Å; F277-Q289 CarbonylContact C-O 3.53Å; F277-Q289 WeakPolarHBondContact CA-O 3.46Å; V278-Q289 PolarHBondContact N-O 3.03Å; V278-Q289 PolarHBondContact O-N 3.25Å; Q289-V291 HydrophobicContact CG-CG2 3.92Å |
| 290 | K | 89.4 | Confident | 76.1 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 27% | 0.274 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.1 | 167.9 | -174.2 | 179.7 | 71.2 | 169.5 | 0 | 108.7 | V156 P158 K160 V162 C275 I276 F277 | V156-K290 HydrophobicContact CG2-CD 4.33Å; V156-K290 HydrophobicContact CG2-CG 4.47Å; P158-K290 PolarHBondContact O-NZ 3.08Å; K160-K290 WeakPolarHBondContact O-CD 3.39Å; K160-K290 PolarHBondContact O-NZ 3.1Å; V162-K290 HydrophobicContact CG2-CB 3.44Å; V162-K290 VanDerWaalsContact CG2-CB 3.44Å; V162-K290 HydrophobicContact CG2-CD 4.13Å; V162-K290 HydrophobicContact CG2-CG 4.39Å; C275-K290 HydrophobicContact CB-CD 4.14Å; C275-K290 HydrophobicContact CB-CG 3.84Å; I276-K290 CarbonylContact O-C 3.56Å; I276-K290 WeakPolarHBondContact O-CA 3.29Å; F277-K290 HydrophobicContact CD2-CB 4.15Å |
| 291 | V | 87.4 | Confident | 74.1 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 24% | 0.242 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.5 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 108 | F112 C275 I276 Q289 P293 | F112-V291 HydrophobicContact CE2-CB 4.46Å; F112-V291 HydrophobicContact CE2-CG1 4.45Å; F112-V291 HydrophobicContact CE2-CG2 4.38Å; C275-V291 CarbonylContact C-O 3.37Å; C275-V291 WeakPolarHBondContact CA-O 3.22Å; I276-V291 PolarHBondContact N-O 2.92Å; I276-V291 PolarHBondContact O-N 3.1Å; Q289-V291 HydrophobicContact CG-CG2 3.92Å; V291-P293 HydrophobicContact CG1-CG 4.36Å; V291-P293 WeakPolarHBondContact O-CD 3.41Å |
| 292 | C | 88.1 | Confident | 72.1 | Confident | 29 Ų | 29 | 88 Ų | 88 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | trans | -119.7 | 88.8 | 179 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | C275 D294 Y295 | C275-C292 HydrophobicContact CB-CB 4.09Å; C275-C292 WeakPolarHBondContact CB-SG 3.41Å; C275-C292 WeakPolarHBondContact SG-CB 3.32Å; C275-C292 CovalentContact SG-SG 2.03Å; C275-C292 PolarHBondContact SG-SG 2.96Å; C292-D294 VanDerWaalsContact C-N 3.27Å; C292-D294 PolarHBondContact O-N 3.45Å; C292-Y295 HydrophobicContact CB-CD2 4.39Å; C292-Y295 HydrophobicContact CB-CG 4.36Å; C292-Y295 WeakPolarHBondContact O-CB 3.4Å; C292-Y295 PolarHBondContact O-N 2.85Å | ||
| 293 | P | 79.3 | Confident | 69.8 | Low | 47 Ų | 47 | 98.3 Ų | 98.3 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.3 | -167.5 | -26.3 | 36.2 | 0 | 0 | 0 | 114.8 | W109 V291 | W109-P293 HydrophobicContact CB-CB 3.85Å; W109-P293 HydrophobicContact CD2-CB 3.61Å; W109-P293 HydrophobicContact CD2-CG 3.66Å; W109-P293 HydrophobicContact CE3-CB 4.3Å; W109-P293 HydrophobicContact CE3-CG 3.9Å; W109-P293 HydrophobicContact CG-CB 3.34Å; W109-P293 HydrophobicContact CG-CG 3.96Å; W109-P293 HydrophobicContact CZ2-CG 4.41Å; W109-P293 HydrophobicContact CZ3-CG 4.38Å; V291-P293 HydrophobicContact CG1-CG 4.36Å; V291-P293 WeakPolarHBondContact O-CD 3.41Å |
| 294 | D | 74.9 | Confident | 67.8 | Low | 12 Ų | 12 | 98.8 Ų | 98.8 | 6% | 0.064 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 16.9 | -179 | -69 | -36.5 | 0 | 0 | 0 | 113.6 | G108 W109 V273 C292 N296 F297 | G108-D294 PolarHBondContact N-OD1 2.86Å; W109-D294 VanDerWaalsContact CD1-OD1 3.29Å; W109-D294 VanDerWaalsContact NE1-CG 3.33Å; W109-D294 PolarHBondContact NE1-OD2 3.48Å; V273-D294 HydrophobicContact CG2-CB 4.34Å; C292-D294 VanDerWaalsContact C-N 3.27Å; C292-D294 PolarHBondContact O-N 3.45Å; D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 3.18Å; D294-F297 HydrophobicContact CB-CD2 4.15Å; D294-F297 PolarHBondContact O-N 2.95Å |
| 295 | Y | 69.7 | Low | 65.8 | Low | 134 Ų | 134 | 101.6 Ų | 101.6 | 53% | 0.525 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36 | -176.5 | -168.9 | -101.3 | 0 | 0 | 0 | 113.1 | P158 C292 F297 Q298 | P158-Y295 HydrophobicContact CB-CD2 4.36Å; P158-Y295 HydrophobicContact CB-CE2 4.3Å; C292-Y295 HydrophobicContact CB-CD2 4.39Å; C292-Y295 HydrophobicContact CB-CG 4.36Å; C292-Y295 WeakPolarHBondContact O-CB 3.4Å; C292-Y295 PolarHBondContact O-N 2.85Å; Y295-F297 VanDerWaalsContact C-N 3.31Å; Y295-F297 PolarHBondContact O-N 2.8Å; Y295-Q298 PolarHBondContact O-N 2.96Å |
| 296 | N | 60.4 | Low | 65.1 | Low | 124 Ų | 124 | 102.8 Ų | 102.8 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.6 | -17.6 | -178.2 | -73.4 | -17 | 0 | 0 | 0 | 114.4 | D294 Q298 S299 | D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 3.18Å; N296-Q298 PolarHBondContact O-N 3.23Å; N296-S299 PolarHBondContact O-OG 2.96Å; N296-S299 VanDerWaalsContact O-OG 3.1Å |
| 297 | F | 54.4 | Low | 64 | Low | 149 Ų | 149 | 100.1 Ų | 100.1 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -75 | -5.8 | 177.6 | -73.2 | -76.3 | 0 | 0 | 0 | 113.5 | D294 Y295 | D294-F297 HydrophobicContact CB-CD2 4.15Å; D294-F297 PolarHBondContact O-N 2.95Å; Y295-F297 VanDerWaalsContact C-N 3.31Å; Y295-F297 PolarHBondContact O-N 2.8Å |
| 298 | Q | 54.1 | Low | 62.8 | Low | 107 Ų | 107 | 103.2 Ų | 103.2 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -102.4 | -25.4 | 175.8 | -71.7 | -168.6 | -5.3 | 0 | 0 | 113.8 | V273 Y295 N296 E300 | V273-Q298 HydrophobicContact CG2-CG 4Å; Y295-Q298 PolarHBondContact O-N 2.96Å; N296-Q298 PolarHBondContact O-N 3.23Å; Q298-E300 PolarHBondContact O-N 3.03Å |
| 299 | S | 51.1 | Low | 61.2 | Low | 89 Ų | 89 | 107.6 Ų | 107.6 | 62% | 0.622 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69 | -24.8 | 175 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | N296 H301 | N296-S299 PolarHBondContact O-OG 2.96Å; N296-S299 VanDerWaalsContact O-OG 3.1Å; S299-H301 PolarHBondContact O-N 3.28Å |
| 300 | E | 41.9 | Very low | 59.5 | Low | 165 Ų | 165 | 110.1 Ų | 110.1 | 77% | 0.771 | 58% | 0.582 | S | S | * | * | trans | -92.1 | 72.9 | 169.4 | -66.4 | -162.4 | 171.4 | 0 | 0 | 110.6 | Q298 | Q298-E300 PolarHBondContact O-N 3.03Š| ||
| 301 | H | 44.3 | Very low | 57.5 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | trans | -109 | 130 | 139.2 | -79.6 | 62.5 | 0 | 0 | 0 | 107.2 | S299 | S299-H301 PolarHBondContact O-N 3.28Š| ||
| 302 | P | 43.7 | Very low | 55.4 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | trans | -68.8 | 140.6 | -167.1 | 31 | -33.5 | 0 | 0 | 0 | 108.3 | F304 | P302-F304 VanDerWaalsContact C-N 3.25Å; P302-F304 HydrophobicContact CG-CD2 4.27Å; P302-F304 HydrophobicContact CG-CE2 4.17Å; P302-F304 PolarHBondContact O-N 2.77Å | ||
| 303 | Y | 34.7 | Very low | 52.9 | Low | 234 Ų | 234 | 125.4 Ų | 125.4 | 92% | 0.918 | 66% | 0.661 | S | S | * | * | trans | -53.9 | 104.5 | 151.7 | -70.6 | -89.2 | 0 | 0 | 0 | 105.9 | G305 | Y303-G305 PolarHBondContact O-N 2.93Š| ||
| 304 | F | 38.2 | Very low | 50.7 | Low | 194 Ų | 194 | 131.9 Ų | 131.9 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | trans | -63 | 97.4 | 162.7 | -87.4 | -89.3 | 0 | 0 | 0 | 105.4 | P302 | P302-F304 VanDerWaalsContact C-N 3.25Å; P302-F304 HydrophobicContact CG-CD2 4.27Å; P302-F304 HydrophobicContact CG-CE2 4.17Å; P302-F304 PolarHBondContact O-N 2.77Å | ||
| 305 | G | 40.8 | Very low | 48.5 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 100% | 1.485 | 75% | 0.748 | S | S | * | * | trans | -76 | 0 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y303 | Y303-G305 PolarHBondContact O-N 2.93Š|
Retrieved 305 of 305 residues in 101.8 ms
(Link to these results)