| 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 | 43.8 | Very low | 50.2 | Low | 242 Ų | 242 | 142.2 Ų | 142.2 | 100% | 1.192 | 84% | 0.837 | S | S | * | * | 0 | 98.5 | 0 | -73.5 | 166.5 | 175.5 | 0 | 0 | 106.4 | |||||
| 2 | F | 42.7 | Very low | 49.4 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 95% | 0.952 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 116.1 | -174.4 | -76.2 | -80.3 | 0 | 0 | 0 | 109.8 | ||
| 3 | S | 55.6 | Low | 48.6 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 144.5 | 179 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 4 | G | 48.8 | Very low | 48.2 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 146.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L6 | G4-L6 PolarHBondContact O-N 3.31Š|
| 5 | S | 57.8 | Low | 47.6 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 93% | 0.93 | 84% | 0.836 | S | S | * | * | trans | -74.9 | 114 | 166.9 | -75.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 6 | L | 56.9 | Low | 47.6 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 69% | 0.686 | 83% | 0.828 | S | S | * | * | trans | -83.6 | 159.1 | 165.9 | -155.3 | 67 | 0 | 0 | 0 | 108.5 | G4 | G4-L6 PolarHBondContact O-N 3.31Š| ||
| 7 | F | 47.6 | Very low | 47 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | trans | 98.6 | 150.8 | 160.2 | -50.5 | -66.1 | 0 | 0 | 0 | 118.8 | ||||
| 8 | P | 47.9 | Very low | 46.4 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | cis | -129.9 | 163.7 | -25.5 | 26.9 | -6.1 | 0 | 0 | 0 | 114.5 | ||||
| 9 | S | 48.3 | Very low | 46.1 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 124 | 162.5 | 172.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 10 | V | 58.9 | Low | 45.6 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 133.2 | 156.6 | 166.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 11 | S | 44.1 | Very low | 45.3 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 152.9 | -169.3 | -157.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 12 | A | 39.9 | Very low | 45.2 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | 79.6 | 109.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 13 | R | 39.3 | Very low | 44.9 | Very low | 242 Ų | 242 | 138.5 Ų | 138.5 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | 72.5 | 106.1 | 110.1 | -168.3 | 179.2 | -175.4 | 165.2 | 1 | 117.5 | |||||
| 14 | A | 42.7 | Very low | 44.1 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | 172.6 | 119.6 | 100.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 15 | V | 39.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -93.2 | 110.6 | 167.9 | 175.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 16 | A | 47.2 | Very low | 42.7 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -158.8 | 95.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 17 | E | 38.4 | Very low | 41.8 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | 84.2 | 108.7 | 93.5 | -165.8 | 174.8 | 137.8 | 0 | 0 | 110.5 | |||||
| 18 | D | 36.1 | Very low | 41.9 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 43.2 | 104.7 | 141.5 | -156.3 | 65 | 0 | 0 | 0 | 117.5 | ||||
| 19 | K | 39.8 | Very low | 41.9 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | 174.6 | 132.6 | 122 | -98.9 | 167.4 | 168 | -94.4 | 0 | 112.2 | |||||
| 20 | E | 37.2 | Very low | 42.1 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 64% | 0.64 | 80% | 0.799 | S | S | * | * | trans | 70.4 | 117.6 | 133.6 | -67.2 | 161.7 | -175.5 | 0 | 0 | 118.9 | ||||
| 21 | E | 38.4 | Very low | 41.9 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | 74.3 | 81.6 | 140.9 | -62.3 | 176.6 | 179 | 0 | 0 | 117.2 | ||||
| 22 | E | 41.3 | Very low | 42.9 | Very low | 207 Ų | 207 | 145.6 Ų | 145.6 | 97% | 0.967 | 78% | 0.781 | S | S | * | * | trans | -93.8 | 87.9 | 148.7 | -76.9 | 179.2 | 170.8 | 0 | 0 | 108 | ||||
| 23 | D | 37 | Very low | 44 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -122.4 | 150.8 | 154.3 | -163.6 | 11.9 | 0 | 0 | 0 | 107.1 | ||||
| 24 | E | 39 | Very low | 45.2 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 76.3 | 135 | -168.8 | -53.9 | -173.6 | 179.5 | 0 | 0 | 115.2 | ||||
| 25 | E | 38.4 | Very low | 46.1 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | cis | 177.8 | 166.7 | -17.5 | -123.9 | -177.4 | 162.4 | 0 | 0 | 103.1 | ||||
| 26 | Q | 38.4 | Very low | 46.7 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | 84.7 | 119 | 171.7 | -47.6 | 176.1 | 31.7 | 0 | 0 | 115.2 | ||||
| 27 | G | 37.9 | Very low | 46.9 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | cis | 173.1 | -176.8 | 9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 28 | E | 50.4 | Low | 47.7 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 87.2 | 69.1 | 171.8 | -50.8 | -165.6 | 127.7 | 0 | 0 | 115.5 | D30 | E28-D30 PolarHBondContact O-N 3.3Š| ||
| 29 | D | 46.8 | Very low | 48.6 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -57.4 | 77.3 | 150.7 | -156.8 | -72.1 | 0 | 0 | 0 | 109.8 | A31 | D29-A31 PolarHBondContact O-N 3.4Š| ||
| 30 | D | 53.5 | Low | 49.4 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | -94.4 | 56.1 | 166.2 | -132.3 | -72.2 | 0 | 0 | 0 | 108.1 | E28 P32 | E28-D30 PolarHBondContact O-N 3.3Å; D30-P32 WeakPolarHBondContact O-CD 3.39Å | ||
| 31 | A | 54.6 | Low | 50.3 | Low | 67 Ų | 67 | 134.6 Ų | 134.6 | 55% | 0.554 | 74% | 0.742 | S | S | * | * | trans | -73.3 | 109.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | D29 | D29-A31 PolarHBondContact O-N 3.4Š| ||
| 32 | P | 64.9 | Low | 51.4 | Low | 100 Ų | 100 | 127.9 Ų | 127.9 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -56.9 | 134 | 179.2 | 22.8 | -32.1 | 0 | 0 | 0 | 108 | D30 I34 | D30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-I34 PolarHBondContact O-N 3.49Å | ||
| 33 | P | 63.1 | Low | 52.5 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | trans | -52.3 | 120.5 | -174.6 | 18.9 | -30.6 | 0 | 0 | 0 | 107.6 | V35 | P33-V35 PolarHBondContact O-N 3.26Š| ||
| 34 | I | 63.3 | Low | 54.2 | Low | 155 Ų | 155 | 120 Ų | 120 | 80% | 0.795 | 69% | 0.687 | S | S | * | * | trans | -61.6 | 88.2 | 175.5 | -57.9 | 169.3 | 0 | 0 | 0 | 105.1 | P32 T36 | P32-I34 PolarHBondContact O-N 3.49Å; I34-T36 HydrophobicContact CG2-CG2 4.4Å; I34-T36 PolarHBondContact O-N 3.29Å | ||
| 35 | V | 61.4 | Low | 56.2 | Low | 125 Ų | 125 | 113.6 Ų | 113.6 | 76% | 0.758 | 66% | 0.661 | S | S | * | * | trans | -66.2 | 87.7 | 170.1 | -78.6 | 0 | 0 | 0 | 0 | 104.5 | P33 P37 | P33-V35 PolarHBondContact O-N 3.26Å; V35-P37 WeakPolarHBondContact O-CD 3.45Å | ||
| 36 | T | 53.7 | Low | 58.5 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 63% | 0.632 | 64% | 0.637 | S | S | * | * | trans | -51.8 | 108.9 | 167.9 | 40.4 | 0 | 0 | 0 | 0 | 105.4 | I34 T38 | I34-T36 HydrophobicContact CG2-CG2 4.4Å; I34-T36 PolarHBondContact O-N 3.29Å; T36-T38 PolarHBondContact O-N 2.68Å | ||
| 37 | P | 51.9 | Low | 61 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 71% | 0.708 | 60% | 0.601 | S | S | * | * | trans | -65 | 100.7 | 175.4 | 25.4 | -28 | 0 | 0 | 0 | 104.6 | V35 I39 | V35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-I39 PolarHBondContact O-N 3.25Å | ||
| 38 | T | 54.9 | Low | 63.6 | Low | 109 Ų | 109 | 101.7 Ų | 101.7 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | trans | -69.2 | 79.3 | 169.8 | -59 | 0 | 0 | 0 | 0 | 104 | T36 L40 | T36-T38 PolarHBondContact O-N 2.68Å; T38-L40 PolarHBondContact O-N 2.81Å | ||
| 39 | I | 55.4 | Low | 65.7 | Low | 128 Ų | 128 | 93.1 Ų | 93.1 | 66% | 0.656 | 55% | 0.551 | S | S | * | * | trans | -55.7 | 99.5 | 165.6 | -60 | -71 | 0 | 0 | 0 | 102.9 | P37 P41 | P37-I39 PolarHBondContact O-N 3.25Å; I39-P41 WeakPolarHBondContact O-CD 3Å | ||
| 40 | L | 56.9 | Low | 67.9 | Low | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | trans | -56.5 | 102.1 | 178.2 | -74.4 | 160.7 | 0 | 0 | 0 | 106.2 | T38 E42 | T38-L40 PolarHBondContact O-N 2.81Å; L40-E42 PolarHBondContact O-N 2.86Å; L40-E42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | P | 56 | Low | 69.9 | Low | 98 Ų | 98 | 85.7 Ų | 85.7 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | trans | -68.8 | 114 | 170.5 | 27.9 | -20.3 | 0 | 0 | 0 | 104.2 | I39 D43 | I39-P41 WeakPolarHBondContact O-CD 3Å; P41-D43 PolarHBondContact O-N 3.06Å | ||
| 42 | E | 60.6 | Low | 71.8 | Confident | 39 Ų | 39 | 85.5 Ų | 85.5 | 18% | 0.182 | 49% | 0.488 | C | S | . | . | trans | -66.8 | 105.5 | 173.6 | -81.4 | -148.9 | 142.3 | 0 | 0 | 108.5 | L40 G44 S45 Y71 I83 R85 | L40-E42 PolarHBondContact O-N 2.86Å; L40-E42 VanDerWaalsContact O-N 3.08Å; E42-G44 PolarHBondContact O-N 3.29Å; E42-G44 VanDerWaalsContact O-N 3.13Å; E42-S45 WeakPolarHBondContact CB-OG 3.48Å; E42-S45 PolarHBondContact O-N 3.43Å; E42-S45 VanDerWaalsContact O-N 3.13Å; E42-S45 PolarHBondContact O-OG 3.26Å; E42-Y71 HydrophobicContact CB-CD1 4.44Å; E42-I83 VanDerWaalsContact OE2-CD1 3.26Å; E42-I83 WeakPolarHBondContact OE2-CD1 3.47Å; E42-I83 WeakPolarHBondContact OE2-CG2 3.33Å; E42-R85 IonicContact OE1-CZ 2.64Å; E42-R85 IonicContact OE1-NE 2.76Å; E42-R85 PolarHBondContact OE1-NE 2.8Å; E42-R85 IonicContact OE1-NH2 2.7Å; E42-R85 PolarHBondContact OE1-NH2 3.48Å | ||
| 43 | D | 64.8 | Low | 73.3 | Confident | 138 Ų | 138 | 80.8 Ų | 80.8 | 74% | 0.738 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 116.7 | 179.9 | -62.8 | -66 | 0 | 0 | 0 | 110.9 | P41 K73 | P41-D43 PolarHBondContact O-N 3.06Å; D43-K73 PolarHBondContact O-NZ 3.23Å |
| 44 | G | 71.3 | Confident | 74.8 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 54% | 0.536 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 10.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E42 | E42-G44 PolarHBondContact O-N 3.29Å; E42-G44 VanDerWaalsContact O-N 3.13Å |
| 45 | S | 81.6 | Confident | 76.1 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | trans | -77.6 | 129 | 170 | -52 | 0 | 0 | 0 | 0 | 110.5 | E42 V72 | E42-S45 WeakPolarHBondContact CB-OG 3.48Å; E42-S45 PolarHBondContact O-N 3.43Å; E42-S45 VanDerWaalsContact O-N 3.13Å; E42-S45 PolarHBondContact O-OG 3.26Å; S45-V72 CarbonylContact C-O 3.49Å; S45-V72 WeakPolarHBondContact CA-O 3.42Å | ||
| 46 | I | 87.3 | Confident | 77.5 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -85 | -20.9 | 179.5 | 59.9 | 152.5 | 0 | 0 | 0 | 113.1 | V72 P74 K150 A154 | I46-V72 HydrophobicContact CD1-CG1 4.05Å; I46-V72 HydrophobicContact CG1-CB 4.04Å; I46-V72 HydrophobicContact CG1-CG1 3.95Å; I46-V72 VanDerWaalsContact CG1-O 3.28Å; I46-V72 WeakPolarHBondContact CG1-O 3.4Å; I46-V72 PolarHBondContact N-O 3.36Å; I46-P74 HydrophobicContact CG2-CG 3.87Å; I46-K150 HydrophobicContact CD1-CB 4.28Å; I46-K150 HydrophobicContact CD1-CD 4.26Å; I46-K150 VanDerWaalsContact CD1-O 3.29Å; I46-K150 WeakPolarHBondContact CD1-O 3.29Å; I46-A154 HydrophobicContact CD1-CB 3.65Å; I46-A154 HydrophobicContact CG1-CB 4.49Å |
| 47 | H | 90.4 | Very high | 79.1 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 141.3 | -176.6 | -172 | 61.4 | 0 | 0 | 0 | 109.7 | V72 K150 | H47-V72 HydrophobicContact CB-CB 4.46Å; H47-V72 PolarHBondContact O-N 3.08Å; H47-K150 HydrophobicContact CB-CB 4.01Å; H47-K150 HydrophobicContact CB-CD 4.1Å; H47-K150 HydrophobicContact CB-CG 3.91Å |
| 48 | D | 92.3 | Very high | 80.7 | Confident | 93 Ų | 93 | 65 Ų | 65 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139 | 173.2 | 67.3 | -68.3 | 0 | 0 | 0 | 110.9 | L70 Y71 | D48-L70 CarbonylContact C-O 3.59Å; D48-L70 WeakPolarHBondContact CA-O 3.47Å; D48-Y71 HydrophobicContact CB-CD1 3.7Å; D48-Y71 HydrophobicContact CB-CE1 3.73Å |
| 49 | V | 94.2 | Very high | 82.2 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.7 | 178.7 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | C51 L70 V138 Q143 L147 | V49-C51 PolarHBondContact O-N 3.18Å; V49-L70 HydrophobicContact CG1-CB 4.05Å; V49-L70 HydrophobicContact CG1-CD2 3.95Å; V49-L70 HydrophobicContact CG1-CG 4.38Å; V49-L70 PolarHBondContact N-O 3.43Å; V49-L70 WeakPolarHBondContact O-CB 3.16Å; V49-L70 PolarHBondContact O-N 2.78Å; V49-V138 HydrophobicContact CG1-CG1 4.39Å; V49-V138 HydrophobicContact CG2-CG1 4.11Å; V49-Q143 HydrophobicContact CG2-CB 4.31Å; V49-Q143 HydrophobicContact CG2-CG 4.45Å; V49-L147 HydrophobicContact CG1-CD1 3.95Å; V49-L147 HydrophobicContact CG1-CD2 4.08Å; V49-L147 HydrophobicContact CG1-CG 4.45Å |
| 50 | R | 94.5 | Very high | 83.6 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 53% | 0.525 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 125.2 | 173.1 | -168.7 | 167.8 | -175.7 | -164.6 | 2.4 | 110.3 | I67 Q69 D87 | R50-I67 HydrophobicContact CG-CG2 4.39Å; R50-Q69 VanDerWaalsContact CA-OE1 3.29Å; R50-D87 IonicContact CZ-OD2 3.2Å; R50-D87 IonicContact NE-OD2 3.03Å; R50-D87 PolarHBondContact NE-OD2 2.9Å; R50-D87 IonicContact NH2-OD2 2.66Å; R50-D87 PolarHBondContact NH2-OD2 2.67Å |
| 51 | C | 94.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 158.5 | 178.6 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | V49 G68 R137 V138 | V49-C51 PolarHBondContact O-N 3.18Å; C51-G68 PolarHBondContact N-O 3.1Å; C51-G68 PolarHBondContact O-N 2.94Å; C51-G68 VanDerWaalsContact O-O 3.08Å; C51-R137 CarbonylContact C-O 3.49Å; C51-R137 VanDerWaalsContact CA-O 3.29Å; C51-R137 WeakPolarHBondContact CA-O 3.41Å; C51-V138 HydrophobicContact CB-CG1 4.2Å |
| 52 | K | 95.6 | Very high | 86.9 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 27% | 0.274 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.4 | 169.3 | -173.1 | 165.2 | 174 | -174.6 | 0 | 109 | Y54 I67 R137 | K52-Y54 HydrophobicContact CB-CE2 3.99Å; K52-Y54 HydrophobicContact CD-CE1 4.45Å; K52-Y54 HydrophobicContact CD-CE2 3.95Å; K52-Y54 WeakPolarHBondContact CD-OH 3.36Å; K52-Y54 VanDerWaalsContact CE-CZ 3.48Å; K52-Y54 WeakPolarHBondContact CE-OH 3.19Å; K52-Y54 HydrophobicContact CG-CD2 4.33Å; K52-Y54 HydrophobicContact CG-CE2 3.59Å; K52-Y54 PolarHBondContact NZ-OH 2.99Å; K52-I67 HydrophobicContact CB-CG1 4.07Å; K52-I67 HydrophobicContact CD-CD1 4.24Å; K52-I67 HydrophobicContact CD-CG1 3.88Å; K52-I67 HydrophobicContact CG-CG1 3.8Å; K52-R137 PolarHBondContact N-O 3.23Å; K52-R137 PolarHBondContact O-N 3.25Å |
| 53 | L | 94.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.4 | -178.9 | 176.1 | 62.1 | 0 | 0 | 0 | 110.4 | Y55 F65 G66 I84 F95 A134 L136 | L53-Y55 HydrophobicContact CD1-CE1 4.36Å; L53-Y55 HydrophobicContact CD1-CE2 4.2Å; L53-Y55 HydrophobicContact CD2-CE2 3.62Å; L53-Y55 HydrophobicContact CG-CD2 4.3Å; L53-Y55 HydrophobicContact CG-CE2 3.82Å; L53-F65 HydrophobicContact CB-CB 4.5Å; L53-F65 HydrophobicContact CD2-CB 4.28Å; L53-F65 HydrophobicContact CD2-CD1 3.8Å; L53-F65 HydrophobicContact CD2-CG 4.37Å; L53-F65 HydrophobicContact CG-CB 4.12Å; L53-F65 PolarHBondContact O-N 3.34Å; L53-G66 PolarHBondContact N-O 2.78Å; L53-I84 HydrophobicContact CB-CD1 4.43Å; L53-I84 HydrophobicContact CD2-CD1 4.27Å; L53-F95 HydrophobicContact CD1-CD2 4.28Å; L53-F95 HydrophobicContact CD1-CE2 4.39Å; L53-F95 HydrophobicContact CD2-CB 3.93Å; L53-F95 HydrophobicContact CD2-CD2 4Å; L53-F95 HydrophobicContact CD2-CG 4.24Å; L53-A134 HydrophobicContact CD1-CB 4.21Å; L53-L136 HydrophobicContact CB-CD2 4.37Å; L53-L136 HydrophobicContact CD1-CD2 3.52Å; L53-L136 HydrophobicContact CG-CD2 4.5Å |
| 54 | Y | 94.5 | Very high | 89.7 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.8 | 171.6 | -58 | -97.4 | 0 | 0 | 0 | 109.8 | K52 N63 D64 A134 L135 R137 | K52-Y54 HydrophobicContact CB-CE2 3.99Å; K52-Y54 HydrophobicContact CD-CE1 4.45Å; K52-Y54 HydrophobicContact CD-CE2 3.95Å; K52-Y54 WeakPolarHBondContact CD-OH 3.36Å; K52-Y54 VanDerWaalsContact CE-CZ 3.48Å; K52-Y54 WeakPolarHBondContact CE-OH 3.19Å; K52-Y54 HydrophobicContact CG-CD2 4.33Å; K52-Y54 HydrophobicContact CG-CE2 3.59Å; K52-Y54 PolarHBondContact NZ-OH 2.99Å; Y54-N63 CarbonylContact C-O 3.55Å; Y54-N63 WeakPolarHBondContact CA-O 3.39Å; Y54-N63 WeakPolarHBondContact CB-O 3.34Å; Y54-D64 HydrophobicContact CD1-CB 4.06Å; Y54-D64 HydrophobicContact CE1-CB 3.98Å; Y54-A134 CarbonylContact O-C 3.54Å; Y54-A134 WeakPolarHBondContact O-CA 3.34Å; Y54-L135 PolarHBondContact N-O 3.33Å; Y54-L135 PolarHBondContact O-N 3.16Å; Y54-R137 HydrophobicContact CD2-CG 4.31Å; Y54-R137 HydrophobicContact CE2-CB 4.12Å; Y54-R137 HydrophobicContact CE2-CG 3.96Å |
| 55 | Y | 92.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.5 | 171.6 | -68.3 | -79.7 | 0 | 0 | 0 | 111.3 | L53 Y62 N63 F65 F95 P119 I123 T132 V133 A134 | L53-Y55 HydrophobicContact CD1-CE1 4.36Å; L53-Y55 HydrophobicContact CD1-CE2 4.2Å; L53-Y55 HydrophobicContact CD2-CE2 3.62Å; L53-Y55 HydrophobicContact CG-CD2 4.3Å; L53-Y55 HydrophobicContact CG-CE2 3.82Å; Y55-Y62 CarbonylContact O-C 3.34Å; Y55-Y62 WeakPolarHBondContact O-CA 3.35Å; Y55-N63 PolarHBondContact N-O 2.75Å; Y55-N63 PolarHBondContact O-N 2.53Å; Y55-F65 HydrophobicContact CD2-CB 3.75Å; Y55-F65 HydrophobicContact CD2-CD2 4.14Å; Y55-F65 AromaticContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CE2-CB 3.8Å; Y55-F65 AromaticContact CE2-CD1 3.95Å; Y55-F65 HydrophobicContact CE2-CD1 3.95Å; Y55-F65 AromaticContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CE1 4.47Å; Y55-F65 AromaticContact CE2-CG 3.63Å; Y55-F65 HydrophobicContact CE2-CG 3.63Å; Y55-F95 HydrophobicContact CE1-CD2 4.4Å; Y55-F95 HydrophobicContact CE1-CE2 4.15Å; Y55-F95 VanDerWaalsContact OH-CD2 3.24Å; Y55-F95 WeakPolarHBondContact OH-CD2 3.34Å; Y55-P119 HydrophobicContact CE1-CB 3.8Å; Y55-I123 HydrophobicContact CD1-CD1 3.34Å; Y55-I123 HydrophobicContact CD1-CG1 4.38Å; Y55-I123 HydrophobicContact CD2-CD1 3.47Å; Y55-I123 VanDerWaalsContact CD2-CD1 3.47Å; Y55-I123 HydrophobicContact CD2-CG1 3.95Å; Y55-I123 HydrophobicContact CD2-CG2 3.75Å; Y55-I123 HydrophobicContact CE1-CD1 3.6Å; Y55-I123 HydrophobicContact CE1-CG1 4.24Å; Y55-I123 HydrophobicContact CE2-CD1 3.72Å; Y55-I123 HydrophobicContact CE2-CG1 3.79Å; Y55-I123 HydrophobicContact CE2-CG2 4Å; Y55-I123 HydrophobicContact CG-CD1 3.23Å; Y55-I123 HydrophobicContact CG-CG1 4.21Å; Y55-I123 HydrophobicContact CG-CG2 4.45Å; Y55-T132 HydrophobicContact CD1-CG2 4.16Å; Y55-V133 WeakPolarHBondContact CA-O 3.28Å; Y55-A134 HydrophobicContact CD1-CB 3.87Å; Y55-A134 HydrophobicContact CE1-CB 3.76Å |
| 56 | M | 90 | Very high | 91.2 | Very high | 52 Ų | 52 | 69.7 Ų | 69.7 | 26% | 0.256 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.6 | 175.6 | -166.8 | 169.4 | -164.6 | 0 | 0 | 110.5 | K60 K61 Y62 T132 V133 | M56-K60 VanDerWaalsContact CE-CA 3.48Å; M56-K60 HydrophobicContact CE-CB 3.47Å; M56-K60 VanDerWaalsContact CE-CB 3.47Å; M56-K60 HydrophobicContact CE-CG 3.93Å; M56-K61 CarbonylContact C-O 3.58Å; M56-K61 WeakPolarHBondContact CA-O 3.37Å; M56-Y62 HydrophobicContact CB-CD1 4.34Å; M56-Y62 HydrophobicContact CB-CE1 4.17Å; M56-T132 WeakPolarHBondContact O-CG2 3.45Å; M56-V133 HydrophobicContact CB-CB 3.81Å; M56-V133 HydrophobicContact CB-CG2 4.44Å; M56-V133 PolarHBondContact N-O 2.77Å; M56-V133 HydrophobicContact SD-CB 4.09Å; M56-V133 HydrophobicContact SD-CG2 3.98Å |
| 57 | D | 87.4 | Confident | 91.6 | Very high | 31 Ų | 31 | 70.8 Ų | 70.8 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | trans | -77.6 | 170.9 | 173.2 | -80.9 | -1.7 | 0 | 0 | 0 | 113.3 | D59 K60 K61 N63 K124 | D57-D59 PolarHBondContact O-N 3.29Å; D57-K60 WeakPolarHBondContact O-CA 3.47Å; D57-K60 PolarHBondContact O-N 3.2Å; D57-K61 PolarHBondContact N-O 3.34Å; D57-N63 PolarHBondContact OD1-ND2 3.36Å; D57-N63 PolarHBondContact OD2-ND2 3.12Å; D57-K124 WeakPolarHBondContact OD1-CE 3.29Å; D57-K124 IonicContact OD1-NZ 2.67Å; D57-K124 PolarHBondContact OD1-NZ 3.13Å; D57-K124 IonicContact OD2-NZ 3.21Å; D57-K124 PolarHBondContact OD2-NZ 3.33Å | ||
| 58 | D | 84.8 | Confident | 91.8 | Very high | 146 Ų | 146 | 69.2 Ų | 69.2 | 78% | 0.781 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -34.5 | 168.7 | -55.5 | -43.2 | 0 | 0 | 0 | 112.3 | K60 | D58-K60 PolarHBondContact O-N 3.26Å; D58-K60 VanDerWaalsContact O-N 3.16Å |
| 59 | D | 86.8 | Confident | 91.8 | Very high | 119 Ų | 119 | 67.1 Ų | 67.1 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 7.6 | 174.8 | -69.7 | -30.2 | 0 | 0 | 0 | 113.8 | D57 K61 | D57-D59 PolarHBondContact O-N 3.29Å; D59-K61 HydrophobicContact CB-CD 4.32Å; D59-K61 HydrophobicContact CB-CG 4.43Å; D59-K61 PolarHBondContact O-N 2.57Å |
| 60 | K | 85.5 | Confident | 91.9 | Very high | 167 Ų | 167 | 66.7 Ų | 66.7 | 73% | 0.726 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 59.8 | 27.8 | -177.7 | -58 | -177.2 | -177.9 | -178.2 | 0 | 114.1 | M56 D57 D58 | M56-K60 VanDerWaalsContact CE-CA 3.48Å; M56-K60 HydrophobicContact CE-CB 3.47Å; M56-K60 VanDerWaalsContact CE-CB 3.47Å; M56-K60 HydrophobicContact CE-CG 3.93Å; D57-K60 WeakPolarHBondContact O-CA 3.47Å; D57-K60 PolarHBondContact O-N 3.2Å; D58-K60 PolarHBondContact O-N 3.26Å; D58-K60 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 90.6 | Very high | 91.8 | Very high | 133 Ų | 133 | 61.4 Ų | 61.4 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | trans | -104.7 | 141 | 176.7 | -68.2 | 172.9 | -173.9 | 163.4 | 0 | 110.4 | M56 D57 D59 N63 | M56-K61 CarbonylContact C-O 3.58Å; M56-K61 WeakPolarHBondContact CA-O 3.37Å; D57-K61 PolarHBondContact N-O 3.34Å; D59-K61 HydrophobicContact CB-CD 4.32Å; D59-K61 HydrophobicContact CB-CG 4.43Å; D59-K61 PolarHBondContact O-N 2.57Å; K61-N63 PolarHBondContact O-ND2 3.42Å | ||
| 62 | Y | 90.4 | Very high | 91.8 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 120.2 | 173.6 | -71 | -76.9 | 0 | 0 | 0 | 110.3 | Y55 M56 L135 | Y55-Y62 CarbonylContact O-C 3.34Å; Y55-Y62 WeakPolarHBondContact O-CA 3.35Å; M56-Y62 HydrophobicContact CB-CD1 4.34Å; M56-Y62 HydrophobicContact CB-CE1 4.17Å; Y62-L135 HydrophobicContact CD1-CB 3.97Å; Y62-L135 HydrophobicContact CD1-CD2 3.85Å; Y62-L135 HydrophobicContact CE1-CB 3.66Å; Y62-L135 HydrophobicContact CE1-CD2 3.78Å; Y62-L135 HydrophobicContact CE1-CG 4.31Å; Y62-L135 HydrophobicContact CE2-CD2 4.46Å; Y62-L135 HydrophobicContact CG-CD2 4.23Å |
| 63 | N | 92 | Very high | 91.7 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.4 | 171.2 | -62 | -86.4 | 0 | 0 | 0 | 109.7 | Y54 Y55 D57 K61 | Y54-N63 CarbonylContact C-O 3.55Å; Y54-N63 WeakPolarHBondContact CA-O 3.39Å; Y54-N63 WeakPolarHBondContact CB-O 3.34Å; Y55-N63 PolarHBondContact N-O 2.75Å; Y55-N63 PolarHBondContact O-N 2.53Å; D57-N63 PolarHBondContact OD1-ND2 3.36Å; D57-N63 PolarHBondContact OD2-ND2 3.12Å; K61-N63 PolarHBondContact O-ND2 3.42Å |
| 64 | D | 92.8 | Very high | 91.5 | Very high | 113 Ų | 113 | 61.9 Ų | 61.9 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.7 | 172.4 | 58 | -45.1 | 0 | 0 | 0 | 110.5 | Y54 | Y54-D64 HydrophobicContact CD1-CB 4.06Å; Y54-D64 HydrophobicContact CE1-CB 3.98Å |
| 65 | F | 91.2 | Very high | 91.3 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -40.1 | 175.3 | -167 | -109.4 | 0 | 0 | 0 | 112 | L53 Y55 I94 I123 | L53-F65 HydrophobicContact CB-CB 4.5Å; L53-F65 HydrophobicContact CD2-CB 4.28Å; L53-F65 HydrophobicContact CD2-CD1 3.8Å; L53-F65 HydrophobicContact CD2-CG 4.37Å; L53-F65 HydrophobicContact CG-CB 4.12Å; L53-F65 PolarHBondContact O-N 3.34Å; Y55-F65 HydrophobicContact CD2-CB 3.75Å; Y55-F65 HydrophobicContact CD2-CD2 4.14Å; Y55-F65 AromaticContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CE2-CB 3.8Å; Y55-F65 AromaticContact CE2-CD1 3.95Å; Y55-F65 HydrophobicContact CE2-CD1 3.95Å; Y55-F65 AromaticContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CE1 4.47Å; Y55-F65 AromaticContact CE2-CG 3.63Å; Y55-F65 HydrophobicContact CE2-CG 3.63Å; F65-I94 HydrophobicContact CD1-CB 3.81Å; F65-I94 HydrophobicContact CD1-CG2 4.28Å; F65-I94 HydrophobicContact CE1-CB 3.49Å; F65-I94 VanDerWaalsContact CE1-CB 3.49Å; F65-I94 HydrophobicContact CE1-CG2 3.83Å; F65-I94 WeakPolarHBondContact CE1-O 3.44Å; F65-I123 HydrophobicContact CD2-CG2 3.27Å; F65-I123 HydrophobicContact CE2-CB 4.21Å; F65-I123 HydrophobicContact CE2-CG2 3.28Å; F65-I123 HydrophobicContact CG-CG2 4.33Å; F65-I123 HydrophobicContact CZ-CG2 4.34Å |
| 66 | G | 93.9 | Very high | 91.1 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L53 | L53-G66 PolarHBondContact N-O 2.78Å |
| 67 | I | 94.9 | Very high | 90.9 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.7 | 173.6 | -60.6 | 168.5 | 0 | 0 | 0 | 107.3 | R50 K52 D87 | R50-I67 HydrophobicContact CG-CG2 4.39Å; K52-I67 HydrophobicContact CB-CG1 4.07Å; K52-I67 HydrophobicContact CD-CD1 4.24Å; K52-I67 HydrophobicContact CD-CG1 3.88Å; K52-I67 HydrophobicContact CG-CG1 3.8Å; I67-D87 PolarHBondContact O-N 2.76Å |
| 68 | G | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 174.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | C51 R85 | C51-G68 PolarHBondContact N-O 3.1Å; C51-G68 PolarHBondContact O-N 2.94Å; C51-G68 VanDerWaalsContact O-O 3.08Å; G68-R85 CarbonylContact C-O 3.53Å; G68-R85 WeakPolarHBondContact CA-O 3.26Å |
| 69 | Q | 93.7 | Very high | 91.3 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.9 | 172.5 | -62.1 | -59.5 | 101.2 | 0 | 0 | 108.6 | R50 Y71 I84 R85 | R50-Q69 VanDerWaalsContact CA-OE1 3.29Å; Q69-Y71 HydrophobicContact CB-CE2 3.68Å; Q69-Y71 WeakPolarHBondContact O-CD2 3.44Å; Q69-Y71 WeakPolarHBondContact O-CE2 3.46Å; Q69-I84 VanDerWaalsContact O-CA 3.27Å; Q69-I84 WeakPolarHBondContact O-CA 3.46Å; Q69-R85 PolarHBondContact N-O 3Å; Q69-R85 PolarHBondContact O-N 3.05Å |
| 70 | L | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.4 | 171.4 | 172.5 | 67.4 | 0 | 0 | 0 | 109.2 | D48 V49 L82 I83 I84 L136 L147 | D48-L70 CarbonylContact C-O 3.59Å; D48-L70 WeakPolarHBondContact CA-O 3.47Å; V49-L70 HydrophobicContact CG1-CB 4.05Å; V49-L70 HydrophobicContact CG1-CD2 3.95Å; V49-L70 HydrophobicContact CG1-CG 4.38Å; V49-L70 PolarHBondContact N-O 3.43Å; V49-L70 WeakPolarHBondContact O-CB 3.16Å; V49-L70 PolarHBondContact O-N 2.78Å; L70-L82 HydrophobicContact CD1-CB 4.03Å; L70-L82 HydrophobicContact CD1-CD2 4.36Å; L70-I83 CarbonylContact C-O 3.57Å; L70-I83 VanDerWaalsContact CA-O 3.29Å; L70-I83 WeakPolarHBondContact CA-O 3.37Å; L70-I84 HydrophobicContact CB-CG1 3.95Å; L70-I84 HydrophobicContact CD1-CD1 4.07Å; L70-I84 HydrophobicContact CD1-CG1 3.5Å; L70-I84 HydrophobicContact CG-CG1 4.33Å; L70-L136 HydrophobicContact CD2-CD1 4.17Å; L70-L147 HydrophobicContact CD2-CD1 3.73Å; L70-L147 HydrophobicContact CD2-CD2 3.74Å; L70-L147 HydrophobicContact CD2-CG 4.37Å |
| 71 | Y | 93.9 | Very high | 92 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.7 | 173.1 | -60 | -85.1 | 0 | 0 | 0 | 109 | E42 D48 Q69 I83 R85 | E42-Y71 HydrophobicContact CB-CD1 4.44Å; D48-Y71 HydrophobicContact CB-CD1 3.7Å; D48-Y71 HydrophobicContact CB-CE1 3.73Å; Q69-Y71 HydrophobicContact CB-CE2 3.68Å; Q69-Y71 WeakPolarHBondContact O-CD2 3.44Å; Q69-Y71 WeakPolarHBondContact O-CE2 3.46Å; Y71-I83 HydrophobicContact CD2-CG2 4.47Å; Y71-I83 PolarHBondContact N-O 3.48Å; Y71-I83 PolarHBondContact O-N 2.85Å; Y71-R85 HydrophobicContact CD2-CG 4.43Å; Y71-R85 HydrophobicContact CE2-CB 4.21Å; Y71-R85 HydrophobicContact CE2-CG 4.06Å |
| 72 | V | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.3 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | S45 I46 H47 V80 L82 L147 I151 A154 | S45-V72 CarbonylContact C-O 3.49Å; S45-V72 WeakPolarHBondContact CA-O 3.42Å; I46-V72 HydrophobicContact CD1-CG1 4.05Å; I46-V72 HydrophobicContact CG1-CB 4.04Å; I46-V72 HydrophobicContact CG1-CG1 3.95Å; I46-V72 VanDerWaalsContact CG1-O 3.28Å; I46-V72 WeakPolarHBondContact CG1-O 3.4Å; I46-V72 PolarHBondContact N-O 3.36Å; H47-V72 HydrophobicContact CB-CB 4.46Å; H47-V72 PolarHBondContact O-N 3.08Å; V72-V80 HydrophobicContact CG1-CG1 3.58Å; V72-L82 HydrophobicContact CB-CD2 4.37Å; V72-L82 HydrophobicContact CG1-CD2 4.19Å; V72-L82 HydrophobicContact CG2-CD2 3.91Å; V72-L147 HydrophobicContact CG2-CD1 3.78Å; V72-I151 HydrophobicContact CG1-CG1 4.29Å; V72-I151 HydrophobicContact CG2-CG1 4.24Å; V72-A154 HydrophobicContact CG1-CB 3.86Å |
| 73 | K | 92.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 113.2 | -176.2 | 179.2 | 167.1 | 177 | 155.3 | 0 | 111.4 | D43 L75 V80 Q81 | D43-K73 PolarHBondContact O-NZ 3.23Å; K73-L75 HydrophobicContact CG-CD1 3.98Å; K73-L75 WeakPolarHBondContact O-CD1 3.35Å; K73-V80 CarbonylContact O-C 3.57Å; K73-Q81 HydrophobicContact CB-CB 4.38Å; K73-Q81 PolarHBondContact N-O 3.36Å; K73-Q81 PolarHBondContact O-N 2.81Å |
| 74 | P | 92.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 135.3 | 171.7 | 29 | -32.7 | 0 | 0 | 0 | 110.4 | I46 A154 E157 A158 L161 | I46-P74 HydrophobicContact CG2-CG 3.87Å; P74-A154 HydrophobicContact CB-CB 4.4Å; P74-E157 HydrophobicContact CB-CB 4.43Å; P74-E157 HydrophobicContact CB-CG 4.4Å; P74-E157 HydrophobicContact CG-CG 4.44Å; P74-A158 HydrophobicContact CB-CB 4.16Å; P74-L161 HydrophobicContact CB-CD1 4.47Å |
| 75 | L | 90.4 | Very high | 92.4 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 19% | 0.188 | 17% | 0.174 | C | C | . | . | trans | -105.6 | 146.8 | 176.4 | -90.4 | 55.8 | 0 | 0 | 0 | 110.8 | K73 S77 G78 R79 Q81 | K73-L75 HydrophobicContact CG-CD1 3.98Å; K73-L75 WeakPolarHBondContact O-CD1 3.35Å; L75-S77 PolarHBondContact O-N 3.31Å; L75-S77 VanDerWaalsContact O-N 3.1Å; L75-G78 PolarHBondContact O-N 2.73Å; L75-R79 WeakPolarHBondContact CB-O 3.4Å; L75-R79 PolarHBondContact N-O 3.04Å; L75-Q81 HydrophobicContact CD1-CB 3.47Å; L75-Q81 VanDerWaalsContact CD1-CB 3.47Å; L75-Q81 HydrophobicContact CD2-CB 4.36Å | ||
| 76 | T | 87.2 | Confident | 92.6 | Very high | 95 Ų | 95 | 31.9 Ų | 31.9 | 58% | 0.583 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.7 | 169.7 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | G78 R162 | T76-G78 PolarHBondContact O-N 2.78Å; T76-R162 WeakPolarHBondContact O-CA 3.22Å |
| 77 | S | 86 | Confident | 92.4 | Very high | 45 Ų | 45 | 35 Ų | 35 | 32% | 0.315 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -2.7 | 170.7 | 72 | 0 | 0 | 0 | 0 | 114 | L75 R79 R162 | L75-S77 PolarHBondContact O-N 3.31Å; L75-S77 VanDerWaalsContact O-N 3.1Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact OG-NE 2.75Å; S77-R162 VanDerWaalsContact O-CZ 3.23Å; S77-R162 PolarHBondContact O-NE 3.04Å; S77-R162 PolarHBondContact O-NH2 3.06Å |
| 78 | G | 88 | Confident | 92.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 71.8 | 26.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | L75 T76 A158 R162 | L75-G78 PolarHBondContact O-N 2.73Å; T76-G78 PolarHBondContact O-N 2.78Å; G78-A158 VanDerWaalsContact CA-C 3.5Å; G78-A158 WeakPolarHBondContact CA-O 3.12Å; G78-R162 VanDerWaalsContact CA-NH2 3.28Å; G78-R162 PolarHBondContact O-NH2 3.1Å |
| 79 | R | 92.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 41.8 Ų | 41.8 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | trans | -114.8 | 160.7 | 172 | -64.5 | -175.3 | -70.3 | -179.5 | -0.3 | 108.5 | L75 S77 A98 I99 D100 A158 | L75-R79 WeakPolarHBondContact CB-O 3.4Å; L75-R79 PolarHBondContact N-O 3.04Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact OG-NE 2.75Å; R79-A98 HydrophobicContact CB-CB 4.26Å; R79-I99 CarbonylContact C-O 3.53Å; R79-I99 WeakPolarHBondContact CA-O 3.18Å; R79-I99 WeakPolarHBondContact CB-O 3.31Å; R79-D100 HydrophobicContact CG-CB 4.24Å; R79-A158 WeakPolarHBondContact O-CB 3.46Å | ||
| 80 | V | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.8 | 172.5 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | V72 K73 L82 A98 I99 A154 K155 A158 | V72-V80 HydrophobicContact CG1-CG1 3.58Å; K73-V80 CarbonylContact O-C 3.57Å; V80-L82 HydrophobicContact CG1-CD2 4.33Å; V80-A98 CarbonylContact O-C 3.5Å; V80-A98 WeakPolarHBondContact O-CA 3.24Å; V80-I99 HydrophobicContact CB-CD1 4.28Å; V80-I99 HydrophobicContact CB-CG1 3.88Å; V80-I99 PolarHBondContact N-O 2.96Å; V80-I99 WeakPolarHBondContact O-CG1 3.43Å; V80-I99 PolarHBondContact O-N 2.93Å; V80-A154 HydrophobicContact CB-CB 4.24Å; V80-A154 HydrophobicContact CG1-CB 3.62Å; V80-A154 HydrophobicContact CG2-CB 3.55Å; V80-A154 WeakPolarHBondContact CG2-O 3.05Å; V80-K155 HydrophobicContact CG2-CB 4.38Å; V80-K155 HydrophobicContact CG2-CG 3.89Å; V80-A158 HydrophobicContact CG2-CB 4.31Å |
| 81 | Q | 93.2 | Very high | 91.3 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.6 | 175 | -165.5 | -179.1 | -14.2 | 0 | 0 | 109.1 | K73 L75 I83 N96 V97 | K73-Q81 HydrophobicContact CB-CB 4.38Å; K73-Q81 PolarHBondContact N-O 3.36Å; K73-Q81 PolarHBondContact O-N 2.81Å; L75-Q81 HydrophobicContact CD1-CB 3.47Å; L75-Q81 VanDerWaalsContact CD1-CB 3.47Å; L75-Q81 HydrophobicContact CD2-CB 4.36Å; Q81-I83 HydrophobicContact CG-CD1 4.09Å; Q81-I83 HydrophobicContact CG-CG1 3.83Å; Q81-N96 PolarHBondContact NE2-OD1 3.46Å; Q81-V97 CarbonylContact C-O 3.5Å; Q81-V97 WeakPolarHBondContact CA-O 3.17Å |
| 82 | L | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.1 | 172.6 | -61.1 | -178.8 | 0 | 0 | 0 | 107.6 | L70 V72 V80 F95 N96 V97 I99 I115 I151 | L70-L82 HydrophobicContact CD1-CB 4.03Å; L70-L82 HydrophobicContact CD1-CD2 4.36Å; V72-L82 HydrophobicContact CB-CD2 4.37Å; V72-L82 HydrophobicContact CG1-CD2 4.19Å; V72-L82 HydrophobicContact CG2-CD2 3.91Å; V80-L82 HydrophobicContact CG1-CD2 4.33Å; L82-F95 HydrophobicContact CB-CD1 4.2Å; L82-F95 HydrophobicContact CB-CE1 3.9Å; L82-F95 HydrophobicContact CD1-CE1 4.41Å; L82-N96 WeakPolarHBondContact O-CA 3.04Å; L82-V97 HydrophobicContact CB-CG2 4.09Å; L82-V97 PolarHBondContact N-O 2.7Å; L82-V97 PolarHBondContact O-N 2.64Å; L82-I99 HydrophobicContact CD1-CD1 3.92Å; L82-I99 HydrophobicContact CD1-CG1 4.27Å; L82-I99 HydrophobicContact CD1-CG2 4.2Å; L82-I99 HydrophobicContact CG-CD1 4.24Å; L82-I99 HydrophobicContact CG-CG1 4.28Å; L82-I115 HydrophobicContact CD1-CD1 3.66Å; L82-I151 HydrophobicContact CD2-CG1 4.36Å |
| 83 | I | 94.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.3 | -176.2 | -64.2 | 171 | 0 | 0 | 0 | 107.5 | E42 L70 Y71 Q81 R85 L93 F95 | E42-I83 VanDerWaalsContact OE2-CD1 3.26Å; E42-I83 WeakPolarHBondContact OE2-CD1 3.47Å; E42-I83 WeakPolarHBondContact OE2-CG2 3.33Å; L70-I83 CarbonylContact C-O 3.57Å; L70-I83 VanDerWaalsContact CA-O 3.29Å; L70-I83 WeakPolarHBondContact CA-O 3.37Å; Y71-I83 HydrophobicContact CD2-CG2 4.47Å; Y71-I83 PolarHBondContact N-O 3.48Å; Y71-I83 PolarHBondContact O-N 2.85Å; Q81-I83 HydrophobicContact CG-CD1 4.09Å; Q81-I83 HydrophobicContact CG-CG1 3.83Å; I83-R85 HydrophobicContact CG2-CG 4.33Å; I83-L93 HydrophobicContact CG2-CD1 3.54Å; I83-F95 CarbonylContact C-O 3.57Å; I83-F95 VanDerWaalsContact CA-O 3.32Å; I83-F95 WeakPolarHBondContact CA-O 3.38Å |
| 84 | I | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.3 | 171.3 | -53.5 | 170.2 | 0 | 0 | 0 | 108.8 | L53 Q69 L70 I94 F95 L136 | L53-I84 HydrophobicContact CB-CD1 4.43Å; L53-I84 HydrophobicContact CD2-CD1 4.27Å; Q69-I84 VanDerWaalsContact O-CA 3.27Å; Q69-I84 WeakPolarHBondContact O-CA 3.46Å; L70-I84 HydrophobicContact CB-CG1 3.95Å; L70-I84 HydrophobicContact CD1-CD1 4.07Å; L70-I84 HydrophobicContact CD1-CG1 3.5Å; L70-I84 HydrophobicContact CG-CG1 4.33Å; I84-I94 HydrophobicContact CB-CD1 4.36Å; I84-I94 HydrophobicContact CB-CG1 3.87Å; I84-I94 HydrophobicContact CG2-CD1 3.61Å; I84-I94 HydrophobicContact CG2-CG1 3.6Å; I84-I94 VanDerWaalsContact O-CG1 3.27Å; I84-I94 WeakPolarHBondContact O-CG1 3.42Å; I84-I94 PolarHBondContact O-N 3.4Å; I84-F95 HydrophobicContact CB-CB 3.59Å; I84-F95 HydrophobicContact CD1-CB 3.63Å; I84-F95 HydrophobicContact CD1-CD1 3.66Å; I84-F95 HydrophobicContact CD1-CE1 4.44Å; I84-F95 HydrophobicContact CD1-CG 3.81Å; I84-F95 HydrophobicContact CG1-CB 3.65Å; I84-F95 HydrophobicContact CG1-CD1 3.87Å; I84-F95 HydrophobicContact CG1-CG 4.14Å; I84-F95 PolarHBondContact N-O 3.39Å; I84-F95 PolarHBondContact O-N 3.36Å; I84-L136 HydrophobicContact CD1-CD2 3.38Å |
| 85 | R | 92.6 | Very high | 91 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.4 | 171 | -64.2 | -175.1 | 173.9 | -154.5 | -1.9 | 109.5 | E42 G68 Q69 Y71 I83 N92 | E42-R85 IonicContact OE1-CZ 2.64Å; E42-R85 IonicContact OE1-NE 2.76Å; E42-R85 PolarHBondContact OE1-NE 2.8Å; E42-R85 IonicContact OE1-NH2 2.7Å; E42-R85 PolarHBondContact OE1-NH2 3.48Å; G68-R85 CarbonylContact C-O 3.53Å; G68-R85 WeakPolarHBondContact CA-O 3.26Å; Q69-R85 PolarHBondContact N-O 3Å; Q69-R85 PolarHBondContact O-N 3.05Å; Y71-R85 HydrophobicContact CD2-CG 4.43Å; Y71-R85 HydrophobicContact CE2-CB 4.21Å; Y71-R85 HydrophobicContact CE2-CG 4.06Å; I83-R85 HydrophobicContact CG2-CG 4.33Å; R85-N92 CarbonylContact C-O 3.45Å |
| 86 | A | 94.2 | Very high | 91.1 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 143.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N88 N92 I94 | A86-N88 PolarHBondContact O-N 2.82Å; A86-N92 HydrophobicContact CB-CB 4.36Å; A86-N92 WeakPolarHBondContact CB-O 3.42Å; A86-N92 PolarHBondContact N-O 3.15Å; A86-I94 HydrophobicContact CB-CG2 3.97Å |
| 87 | D | 90.7 | Very high | 91.3 | Very high | 90 Ų | 90 | 47.2 Ų | 47.2 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -79.7 | 62.6 | 176.2 | -168.3 | 17.9 | 0 | 0 | 0 | 110.4 | R50 I67 | R50-D87 IonicContact CZ-OD2 3.2Å; R50-D87 IonicContact NE-OD2 3.03Å; R50-D87 PolarHBondContact NE-OD2 2.9Å; R50-D87 IonicContact NH2-OD2 2.66Å; R50-D87 PolarHBondContact NH2-OD2 2.67Å; I67-D87 PolarHBondContact O-N 2.76Å |
| 88 | N | 90.2 | Very high | 91.6 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -139.4 | 162.5 | 177.2 | 64.5 | 19.1 | 0 | 0 | 0 | 110.4 | A86 L90 G91 N92 | A86-N88 PolarHBondContact O-N 2.82Å; N88-L90 PolarHBondContact O-N 3.03Å; N88-L90 PolarHBondContact OD1-N 2.84Å; N88-G91 PolarHBondContact O-N 3.36Å; N88-G91 PolarHBondContact OD1-N 2.96Å; N88-N92 PolarHBondContact OD1-N 2.89Å |
| 89 | S | 88.8 | Confident | 91.8 | Very high | 136 Ų | 136 | 47 Ų | 47 | 95% | 0.951 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21 | -178.6 | -50.8 | 0 | 0 | 0 | 0 | 114 | ||
| 90 | L | 88.1 | Confident | 91.7 | Very high | 158 Ų | 158 | 44.1 Ų | 44.1 | 83% | 0.827 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -20 | 177.4 | -60.4 | 176 | 0 | 0 | 0 | 112.7 | N88 N92 | N88-L90 PolarHBondContact O-N 3.03Å; N88-L90 PolarHBondContact OD1-N 2.84Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 3.13Å |
| 91 | G | 86.3 | Confident | 91.4 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | trans | 58.7 | 36.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N88 | N88-G91 PolarHBondContact O-N 3.36Å; N88-G91 PolarHBondContact OD1-N 2.96Å | ||
| 92 | N | 90.4 | Very high | 91.1 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | trans | -60.8 | 139.9 | -171.7 | -173.8 | 37 | 0 | 0 | 0 | 112.4 | R85 A86 N88 L90 I94 | R85-N92 CarbonylContact C-O 3.45Å; A86-N92 HydrophobicContact CB-CB 4.36Å; A86-N92 WeakPolarHBondContact CB-O 3.42Å; A86-N92 PolarHBondContact N-O 3.15Å; N88-N92 PolarHBondContact OD1-N 2.89Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 3.13Å; N92-I94 PolarHBondContact O-N 3.14Å | ||
| 93 | L | 91.3 | Very high | 90.7 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 116.8 | 177.1 | -173.1 | 73 | 0 | 0 | 0 | 110.5 | I83 N96 | I83-L93 HydrophobicContact CG2-CD1 3.54Å; L93-N96 HydrophobicContact CD1-CB 4.15Å; L93-N96 HydrophobicContact CD2-CB 3.72Å; L93-N96 HydrophobicContact CG-CB 4.09Å |
| 94 | I | 91.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -15.9 | -178.6 | 56.9 | 164.2 | 0 | 0 | 0 | 113.4 | F65 I84 A86 N92 | F65-I94 HydrophobicContact CD1-CB 3.81Å; F65-I94 HydrophobicContact CD1-CG2 4.28Å; F65-I94 HydrophobicContact CE1-CB 3.49Å; F65-I94 VanDerWaalsContact CE1-CB 3.49Å; F65-I94 HydrophobicContact CE1-CG2 3.83Å; F65-I94 WeakPolarHBondContact CE1-O 3.44Å; I84-I94 HydrophobicContact CB-CD1 4.36Å; I84-I94 HydrophobicContact CB-CG1 3.87Å; I84-I94 HydrophobicContact CG2-CD1 3.61Å; I84-I94 HydrophobicContact CG2-CG1 3.6Å; I84-I94 VanDerWaalsContact O-CG1 3.27Å; I84-I94 WeakPolarHBondContact O-CG1 3.42Å; I84-I94 PolarHBondContact O-N 3.4Å; A86-I94 HydrophobicContact CB-CG2 3.97Å; N92-I94 PolarHBondContact O-N 3.14Å |
| 95 | F | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 131.5 | 176.8 | -166.9 | -116.3 | 0 | 0 | 0 | 109.3 | L53 Y55 L82 I83 I84 V97 V117 N120 A134 | L53-F95 HydrophobicContact CD1-CD2 4.28Å; L53-F95 HydrophobicContact CD1-CE2 4.39Å; L53-F95 HydrophobicContact CD2-CB 3.93Å; L53-F95 HydrophobicContact CD2-CD2 4Å; L53-F95 HydrophobicContact CD2-CG 4.24Å; Y55-F95 HydrophobicContact CE1-CD2 4.4Å; Y55-F95 HydrophobicContact CE1-CE2 4.15Å; Y55-F95 VanDerWaalsContact OH-CD2 3.24Å; Y55-F95 WeakPolarHBondContact OH-CD2 3.34Å; L82-F95 HydrophobicContact CB-CD1 4.2Å; L82-F95 HydrophobicContact CB-CE1 3.9Å; L82-F95 HydrophobicContact CD1-CE1 4.41Å; I83-F95 CarbonylContact C-O 3.57Å; I83-F95 VanDerWaalsContact CA-O 3.32Å; I83-F95 WeakPolarHBondContact CA-O 3.38Å; I84-F95 HydrophobicContact CB-CB 3.59Å; I84-F95 HydrophobicContact CD1-CB 3.63Å; I84-F95 HydrophobicContact CD1-CD1 3.66Å; I84-F95 HydrophobicContact CD1-CE1 4.44Å; I84-F95 HydrophobicContact CD1-CG 3.81Å; I84-F95 HydrophobicContact CG1-CB 3.65Å; I84-F95 HydrophobicContact CG1-CD1 3.87Å; I84-F95 HydrophobicContact CG1-CG 4.14Å; I84-F95 PolarHBondContact N-O 3.39Å; I84-F95 PolarHBondContact O-N 3.36Å; F95-V97 HydrophobicContact CD1-CG2 3.97Å; F95-V97 HydrophobicContact CD2-CG1 4.24Å; F95-V97 HydrophobicContact CE1-CB 4.41Å; F95-V97 HydrophobicContact CE1-CG1 4.41Å; F95-V97 HydrophobicContact CE1-CG2 3.24Å; F95-V97 HydrophobicContact CE2-CG1 3.88Å; F95-V97 HydrophobicContact CE2-CG2 4.08Å; F95-V97 HydrophobicContact CZ-CB 4.3Å; F95-V97 HydrophobicContact CZ-CG1 3.99Å; F95-V97 HydrophobicContact CZ-CG2 3.31Å; F95-V117 HydrophobicContact CE2-CG2 3.87Å; F95-V117 HydrophobicContact CZ-CG2 3.83Å; F95-N120 CarbonylContact C-O 3.55Å; F95-A134 HydrophobicContact CE2-CB 3.87Å; F95-A134 HydrophobicContact CZ-CB 4.09Å |
| 96 | N | 92.4 | Very high | 90.2 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.214 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 86.6 | 178.6 | -178.1 | 11.5 | 0 | 0 | 0 | 109.7 | Q81 L82 L93 N120 | Q81-N96 PolarHBondContact NE2-OD1 3.46Å; L82-N96 WeakPolarHBondContact O-CA 3.04Å; L93-N96 HydrophobicContact CD1-CB 4.15Å; L93-N96 HydrophobicContact CD2-CB 3.72Å; L93-N96 HydrophobicContact CG-CB 4.09Å; N96-N120 WeakPolarHBondContact CA-O 3.32Å; N96-N120 WeakPolarHBondContact CB-O 3.27Å; N96-N120 PolarHBondContact N-O 2.95Å; N96-N120 WeakPolarHBondContact O-CB 3.19Å; N96-N120 PolarHBondContact O-ND2 3.03Å |
| 97 | V | 92.6 | Very high | 90 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.6 | -177.4 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | Q81 L82 F95 I99 V117 V118 | Q81-V97 CarbonylContact C-O 3.5Å; Q81-V97 WeakPolarHBondContact CA-O 3.17Å; L82-V97 HydrophobicContact CB-CG2 4.09Å; L82-V97 PolarHBondContact N-O 2.7Å; L82-V97 PolarHBondContact O-N 2.64Å; F95-V97 HydrophobicContact CD1-CG2 3.97Å; F95-V97 HydrophobicContact CD2-CG1 4.24Å; F95-V97 HydrophobicContact CE1-CB 4.41Å; F95-V97 HydrophobicContact CE1-CG1 4.41Å; F95-V97 HydrophobicContact CE1-CG2 3.24Å; F95-V97 HydrophobicContact CE2-CG1 3.88Å; F95-V97 HydrophobicContact CE2-CG2 4.08Å; F95-V97 HydrophobicContact CZ-CB 4.3Å; F95-V97 HydrophobicContact CZ-CG1 3.99Å; F95-V97 HydrophobicContact CZ-CG2 3.31Å; V97-I99 HydrophobicContact CG2-CG2 4.37Å; V97-V117 HydrophobicContact CB-CB 4.34Å; V97-V117 HydrophobicContact CB-CG1 4.4Å; V97-V117 HydrophobicContact CG1-CB 4.17Å; V97-V117 HydrophobicContact CG1-CG2 4.04Å; V97-V117 HydrophobicContact CG2-CB 4.42Å; V97-V117 HydrophobicContact CG2-CG1 4.13Å; V97-V117 HydrophobicContact CG2-CG2 4.35Å; V97-V118 WeakPolarHBondContact CG1-O 3.5Å |
| 98 | A | 92.3 | Very high | 90 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | R79 V80 | R79-A98 HydrophobicContact CB-CB 4.26Å; V80-A98 CarbonylContact O-C 3.5Å; V80-A98 WeakPolarHBondContact O-CA 3.24Å |
| 99 | I | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 145.6 | 174.3 | 59 | 162.1 | 0 | 0 | 0 | 109.8 | R79 V80 L82 V97 T103 I105 I115 V117 I151 | R79-I99 CarbonylContact C-O 3.53Å; R79-I99 WeakPolarHBondContact CA-O 3.18Å; R79-I99 WeakPolarHBondContact CB-O 3.31Å; V80-I99 HydrophobicContact CB-CD1 4.28Å; V80-I99 HydrophobicContact CB-CG1 3.88Å; V80-I99 PolarHBondContact N-O 2.96Å; V80-I99 WeakPolarHBondContact O-CG1 3.43Å; V80-I99 PolarHBondContact O-N 2.93Å; L82-I99 HydrophobicContact CD1-CD1 3.92Å; L82-I99 HydrophobicContact CD1-CG1 4.27Å; L82-I99 HydrophobicContact CD1-CG2 4.2Å; L82-I99 HydrophobicContact CG-CD1 4.24Å; L82-I99 HydrophobicContact CG-CG1 4.28Å; V97-I99 HydrophobicContact CG2-CG2 4.37Å; I99-T103 HydrophobicContact CB-CG2 4.11Å; I99-T103 HydrophobicContact CG2-CG2 3.94Å; I99-I105 HydrophobicContact CD1-CD1 3.72Å; I99-I115 HydrophobicContact CG2-CG2 4.18Å; I99-V117 HydrophobicContact CG2-CG1 3.98Å; I99-I151 HydrophobicContact CD1-CG2 3.73Å |
| 100 | D | 90.1 | Very high | 89.8 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -104.1 | -179.2 | 175 | 77 | -32.9 | 0 | 0 | 0 | 110.9 | R79 S102 T103 K155 | R79-D100 HydrophobicContact CG-CB 4.24Å; D100-S102 VanDerWaalsContact CG-OG 3.25Å; D100-S102 PolarHBondContact O-N 3.47Å; D100-S102 PolarHBondContact OD1-N 3.38Å; D100-S102 PolarHBondContact OD1-OG 2.92Å; D100-S102 WeakPolarHBondContact OD2-CB 3.44Å; D100-S102 PolarHBondContact OD2-N 3.1Å; D100-S102 PolarHBondContact OD2-OG 2.89Å; D100-T103 PolarHBondContact N-OG1 2.84Å; D100-T103 VanDerWaalsContact N-OG1 3.15Å; D100-T103 PolarHBondContact O-N 3.3Å; D100-T103 WeakPolarHBondContact OD1-CA 3.49Å; D100-T103 WeakPolarHBondContact OD1-CB 3.41Å; D100-T103 PolarHBondContact OD1-N 2.83Å; D100-T103 PolarHBondContact OD1-OG1 3.4Å; D100-K155 VanDerWaalsContact O-CE 3.24Å; D100-K155 WeakPolarHBondContact O-CE 3.38Å; D100-K155 PolarHBondContact O-NZ 2.78Å | ||
| 101 | Q | 86 | Confident | 90 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -65.1 | -30.8 | 177.3 | -67 | -172 | -39.4 | 0 | 0 | 112 | K155 S159 | Q101-K155 HydrophobicContact CG-CB 4.27Å; Q101-K155 PolarHBondContact NE2-O 2.79Å; Q101-K155 PolarHBondContact O-NZ 3.04Å; Q101-S159 VanDerWaalsContact NE2-CB 3.35Å |
| 102 | S | 86.3 | Confident | 90.3 | Very high | 96 Ų | 96 | 55.2 Ų | 55.2 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -79.8 | -17.3 | 179.7 | 81.1 | 0 | 0 | 0 | 0 | 114 | D100 P104 | D100-S102 VanDerWaalsContact CG-OG 3.25Å; D100-S102 PolarHBondContact O-N 3.47Å; D100-S102 PolarHBondContact OD1-N 3.38Å; D100-S102 PolarHBondContact OD1-OG 2.92Å; D100-S102 WeakPolarHBondContact OD2-CB 3.44Å; D100-S102 PolarHBondContact OD2-N 3.1Å; D100-S102 PolarHBondContact OD2-OG 2.89Å; S102-P104 WeakPolarHBondContact O-CD 3.24Å |
| 103 | T | 87.2 | Confident | 90.5 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -61.2 | 120.1 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | I99 D100 I105 I115 K155 | I99-T103 HydrophobicContact CB-CG2 4.11Å; I99-T103 HydrophobicContact CG2-CG2 3.94Å; D100-T103 PolarHBondContact N-OG1 2.84Å; D100-T103 VanDerWaalsContact N-OG1 3.15Å; D100-T103 PolarHBondContact O-N 3.3Å; D100-T103 WeakPolarHBondContact OD1-CA 3.49Å; D100-T103 WeakPolarHBondContact OD1-CB 3.41Å; D100-T103 PolarHBondContact OD1-N 2.83Å; D100-T103 PolarHBondContact OD1-OG1 3.4Å; T103-I105 PolarHBondContact O-N 3.46Å; T103-I115 HydrophobicContact CG2-CG2 3.73Å; T103-K155 PolarHBondContact O-NZ 3.44Å; T103-K155 VanDerWaalsContact O-NZ 3.14Å |
| 104 | P | 87.6 | Confident | 90.6 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | trans | -71.4 | 125.5 | 178.3 | 28.7 | -32.9 | 0 | 0 | 0 | 109.9 | S102 | S102-P104 WeakPolarHBondContact O-CD 3.24Š| ||
| 105 | I | 90.7 | Very high | 90.7 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 18% | 0.179 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.6 | 172.6 | -58.8 | 177.2 | 0 | 0 | 0 | 106.3 | I99 T103 L113 I115 L148 I151 | I99-I105 HydrophobicContact CD1-CD1 3.72Å; T103-I105 PolarHBondContact O-N 3.46Å; I105-L113 HydrophobicContact CG2-CD1 3.38Å; I105-L113 HydrophobicContact CG2-CD2 3.83Å; I105-L113 HydrophobicContact CG2-CG 3.64Å; I105-I115 HydrophobicContact CG1-CG1 4.44Å; I105-I115 HydrophobicContact CG1-CG2 4.45Å; I105-I115 HydrophobicContact CG2-CG1 4.35Å; I105-L148 HydrophobicContact CG2-CD1 3.99Å; I105-I151 HydrophobicContact CD1-CG2 3.43Å; I105-I151 VanDerWaalsContact CD1-CG2 3.43Å |
| 106 | T | 91.1 | Very high | 90.6 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.2 | -177 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | S114 | T106-S114 PolarHBondContact N-O 2.85Å; T106-S114 PolarHBondContact O-N 2.84Å; T106-S114 PolarHBondContact O-OG 2.94Å; T106-S114 VanDerWaalsContact O-OG 3.13Å; T106-S114 PolarHBondContact OG1-O 2.79Å; T106-S114 PolarHBondContact OG1-OG 2.74Å |
| 107 | K | 91.5 | Very high | 90.5 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131 | 171.4 | -65.4 | -171 | -177.5 | -173.5 | 0 | 108.8 | L148 | K107-L148 HydrophobicContact CD-CD2 4.42Å |
| 108 | A | 88.7 | Confident | 90.4 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 98.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G112 L135 | A108-G112 PolarHBondContact N-O 2.72Å; A108-G112 CarbonylContact O-C 3.49Å; A108-G112 WeakPolarHBondContact O-CA 3.44Å; A108-G112 PolarHBondContact O-N 3.32Å; A108-L135 HydrophobicContact CB-CD1 3.51Å |
| 109 | G | 87.9 | Confident | 90.1 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 76% | 0.763 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -145.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 110 | K | 88.1 | Confident | 89.9 | Confident | 182 Ų | 182 | 55.4 Ų | 55.4 | 79% | 0.791 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -38.1 | -174.4 | -52.5 | -179 | -151.9 | -77.1 | 0 | 113.2 | L144 | K110-L144 WeakPolarHBondContact O-CD2 3.47Š|
| 111 | N | 92.1 | Very high | 89.7 | Confident | 52 Ų | 52 | 55 Ų | 55 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | 20 | -169.8 | 63.4 | -40.4 | 0 | 0 | 0 | 112.3 | R137 V138 | N111-R137 WeakPolarHBondContact O-CA 2.95Å; N111-V138 HydrophobicContact CB-CG2 4.31Å; N111-V138 PolarHBondContact ND2-O 3.34Å; N111-V138 WeakPolarHBondContact O-CG2 3.34Å; N111-V138 PolarHBondContact O-N 2.87Å |
| 112 | G | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A108 L136 | A108-G112 PolarHBondContact N-O 2.72Å; A108-G112 CarbonylContact O-C 3.49Å; A108-G112 WeakPolarHBondContact O-CA 3.44Å; A108-G112 PolarHBondContact O-N 3.32Å; G112-L136 CarbonylContact C-O 3.53Å; G112-L136 VanDerWaalsContact CA-O 3.3Å; G112-L136 WeakPolarHBondContact CA-O 3.4Å |
| 113 | L | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.1 | 172.8 | -164.1 | 72.6 | 0 | 0 | 0 | 108.3 | I105 I115 L135 L136 L144 L147 L148 I151 | I105-L113 HydrophobicContact CG2-CD1 3.38Å; I105-L113 HydrophobicContact CG2-CD2 3.83Å; I105-L113 HydrophobicContact CG2-CG 3.64Å; L113-I115 HydrophobicContact CD2-CD1 4.08Å; L113-I115 HydrophobicContact CD2-CG1 4.43Å; L113-I115 HydrophobicContact CG-CG1 4.41Å; L113-L135 CarbonylContact O-C 3.59Å; L113-L135 WeakPolarHBondContact O-CA 3.42Å; L113-L136 HydrophobicContact CB-CB 4.3Å; L113-L136 PolarHBondContact N-O 2.99Å; L113-L136 PolarHBondContact O-N 2.86Å; L113-L144 HydrophobicContact CB-CD1 3.9Å; L113-L144 HydrophobicContact CD1-CD1 4.27Å; L113-L147 HydrophobicContact CD2-CD2 4.28Å; L113-L148 HydrophobicContact CD1-CD1 4.24Å; L113-I151 HydrophobicContact CD2-CD1 3.81Å |
| 114 | S | 93.1 | Very high | 88.3 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.6 | 174.5 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | T106 A134 | T106-S114 PolarHBondContact N-O 2.85Å; T106-S114 PolarHBondContact O-N 2.84Å; T106-S114 PolarHBondContact O-OG 2.94Å; T106-S114 VanDerWaalsContact O-OG 3.13Å; T106-S114 PolarHBondContact OG1-O 2.79Å; T106-S114 PolarHBondContact OG1-OG 2.74Å; S114-A134 CarbonylContact C-O 3.58Å; S114-A134 WeakPolarHBondContact CA-O 2.94Å |
| 115 | I | 93.4 | Very high | 87 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.3 | 179.8 | -43.3 | 179.6 | 0 | 0 | 0 | 107.9 | L82 I99 T103 I105 L113 V117 A134 L136 | L82-I115 HydrophobicContact CD1-CD1 3.66Å; I99-I115 HydrophobicContact CG2-CG2 4.18Å; T103-I115 HydrophobicContact CG2-CG2 3.73Å; I105-I115 HydrophobicContact CG1-CG1 4.44Å; I105-I115 HydrophobicContact CG1-CG2 4.45Å; I105-I115 HydrophobicContact CG2-CG1 4.35Å; L113-I115 HydrophobicContact CD2-CD1 4.08Å; L113-I115 HydrophobicContact CD2-CG1 4.43Å; L113-I115 HydrophobicContact CG-CG1 4.41Å; I115-V117 HydrophobicContact CB-CG1 4.45Å; I115-V117 HydrophobicContact CG2-CG1 3.68Å; I115-A134 PolarHBondContact N-O 2.98Å; I115-A134 PolarHBondContact O-N 2.79Å; I115-L136 HydrophobicContact CD1-CD1 4.17Å |
| 116 | V | 91.8 | Very high | 85.3 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 44% | 0.442 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.7 | 173.9 | -173 | 0 | 0 | 0 | 0 | 108.2 | P131 V133 | V116-P131 HydrophobicContact CG1-CB 4.2Å; V116-V133 HydrophobicContact CG2-CG2 4.29Å |
| 117 | V | 90.6 | Very high | 83.6 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 9% | 0.085 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.3 | -176.9 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | F95 V97 I99 I115 P119 T132 A134 | F95-V117 HydrophobicContact CE2-CG2 3.87Å; F95-V117 HydrophobicContact CZ-CG2 3.83Å; V97-V117 HydrophobicContact CB-CB 4.34Å; V97-V117 HydrophobicContact CB-CG1 4.4Å; V97-V117 HydrophobicContact CG1-CB 4.17Å; V97-V117 HydrophobicContact CG1-CG2 4.04Å; V97-V117 HydrophobicContact CG2-CB 4.42Å; V97-V117 HydrophobicContact CG2-CG1 4.13Å; V97-V117 HydrophobicContact CG2-CG2 4.35Å; I99-V117 HydrophobicContact CG2-CG1 3.98Å; I115-V117 HydrophobicContact CB-CG1 4.45Å; I115-V117 HydrophobicContact CG2-CG1 3.68Å; V117-P119 WeakPolarHBondContact O-CD 3.27Å; V117-T132 PolarHBondContact N-O 2.72Å; V117-T132 PolarHBondContact O-N 2.75Å; V117-A134 HydrophobicContact CG2-CB 3.98Å |
| 118 | V | 89.1 | Confident | 82.1 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | trans | -77.4 | 120 | 166.8 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | V97 G128 | V97-V118 WeakPolarHBondContact CG1-O 3.5Å; V118-G128 WeakPolarHBondContact CG1-O 3.35Å | ||
| 119 | P | 85.8 | Confident | 81.2 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | trans | -71.8 | 131.4 | -176.1 | 29.2 | -34.5 | 0 | 0 | 0 | 111.6 | Y55 V117 P121 I123 | Y55-P119 HydrophobicContact CE1-CB 3.8Å; V117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-P121 CarbonylContact C-O 3.52Å; P119-I123 HydrophobicContact CB-CD1 3.54Å; P119-I123 HydrophobicContact CB-CG1 3.43Å; P119-I123 VanDerWaalsContact CB-CG1 3.43Å; P119-I123 HydrophobicContact CG-CD1 3.56Å; P119-I123 HydrophobicContact CG-CG1 3.66Å | ||
| 120 | N | 89.2 | Confident | 80.9 | Confident | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -138.9 | 116.6 | 175.3 | 174.5 | 29.8 | 0 | 0 | 0 | 108.6 | F95 N96 | F95-N120 CarbonylContact C-O 3.55Å; N96-N120 WeakPolarHBondContact CA-O 3.32Å; N96-N120 WeakPolarHBondContact CB-O 3.27Å; N96-N120 PolarHBondContact N-O 2.95Å; N96-N120 WeakPolarHBondContact O-CB 3.19Å; N96-N120 PolarHBondContact O-ND2 3.03Å |
| 121 | P | 86.7 | Confident | 80.8 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | S | Bend | cis | -65 | 160.1 | 1.2 | -20.2 | 33.7 | 0 | 0 | 0 | 114.2 | P119 | P119-P121 CarbonylContact C-O 3.52Š|
| 122 | P | 83.9 | Confident | 80.7 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | trans | -68.2 | 136.5 | 180 | 27.3 | -33.8 | 0 | 0 | 0 | 111.9 | ||||
| 123 | I | 75.7 | Confident | 80.6 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | trans | -86 | -27.1 | -170.9 | -28.5 | 159.6 | 0 | 0 | 0 | 112 | Y55 F65 P119 T132 | Y55-I123 HydrophobicContact CD1-CD1 3.34Å; Y55-I123 HydrophobicContact CD1-CG1 4.38Å; Y55-I123 HydrophobicContact CD2-CD1 3.47Å; Y55-I123 VanDerWaalsContact CD2-CD1 3.47Å; Y55-I123 HydrophobicContact CD2-CG1 3.95Å; Y55-I123 HydrophobicContact CD2-CG2 3.75Å; Y55-I123 HydrophobicContact CE1-CD1 3.6Å; Y55-I123 HydrophobicContact CE1-CG1 4.24Å; Y55-I123 HydrophobicContact CE2-CD1 3.72Å; Y55-I123 HydrophobicContact CE2-CG1 3.79Å; Y55-I123 HydrophobicContact CE2-CG2 4Å; Y55-I123 HydrophobicContact CG-CD1 3.23Å; Y55-I123 HydrophobicContact CG-CG1 4.21Å; Y55-I123 HydrophobicContact CG-CG2 4.45Å; F65-I123 HydrophobicContact CD2-CG2 3.27Å; F65-I123 HydrophobicContact CE2-CB 4.21Å; F65-I123 HydrophobicContact CE2-CG2 3.28Å; F65-I123 HydrophobicContact CG-CG2 4.33Å; F65-I123 HydrophobicContact CZ-CG2 4.34Å; P119-I123 HydrophobicContact CB-CD1 3.54Å; P119-I123 HydrophobicContact CB-CG1 3.43Å; P119-I123 VanDerWaalsContact CB-CG1 3.43Å; P119-I123 HydrophobicContact CG-CD1 3.56Å; P119-I123 HydrophobicContact CG-CG1 3.66Å; I123-T132 HydrophobicContact CD1-CG2 4.31Å | ||
| 124 | K | 70 | Confident | 80.5 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -144.5 | 169.5 | -169.4 | -71.3 | -167.8 | 171.6 | -164.5 | 0 | 112.1 | D57 A126 | D57-K124 WeakPolarHBondContact OD1-CE 3.29Å; D57-K124 IonicContact OD1-NZ 2.67Å; D57-K124 PolarHBondContact OD1-NZ 3.13Å; D57-K124 IonicContact OD2-NZ 3.21Å; D57-K124 PolarHBondContact OD2-NZ 3.33Å; K124-A126 PolarHBondContact O-N 2.94Å |
| 125 | K | 60.3 | Low | 80.6 | Confident | 220 Ų | 220 | 63.7 Ų | 63.7 | 96% | 0.957 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -65.7 | -17.7 | 172.7 | -62.9 | -174.7 | -179.1 | -177.8 | 0 | 113.8 | S127 | K125-S127 PolarHBondContact O-N 2.84Š|
| 126 | A | 54.7 | Low | 80.7 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -69.2 | 118.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | K124 G128 | K124-A126 PolarHBondContact O-N 2.94Å; A126-G128 PolarHBondContact O-N 3.05Å |
| 127 | S | 54.5 | Low | 80.8 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | trans | -35.5 | 125.2 | -174 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | K125 D129 Q130 | K125-S127 PolarHBondContact O-N 2.84Å; S127-D129 PolarHBondContact O-N 3.41Å; S127-Q130 PolarHBondContact O-N 2.92Å | ||
| 128 | G | 61.5 | Low | 81 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 23 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V118 A126 | V118-G128 WeakPolarHBondContact CG1-O 3.35Å; A126-G128 PolarHBondContact O-N 3.05Å |
| 129 | D | 68.8 | Low | 81.2 | Confident | 129 Ų | 129 | 70.7 Ų | 70.7 | 69% | 0.69 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -9.6 | -175.3 | -54.2 | -54.1 | 0 | 0 | 0 | 112.2 | S127 | S127-D129 PolarHBondContact O-N 3.41Š|
| 130 | Q | 82.3 | Confident | 81.6 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -86.9 | 131.2 | -178.4 | -60.1 | -66.7 | 17.6 | 0 | 0 | 112.2 | S127 T132 | S127-Q130 PolarHBondContact O-N 2.92Å; Q130-T132 PolarHBondContact O-N 3.08Å; Q130-T132 PolarHBondContact O-OG1 2.81Å |
| 131 | P | 86.4 | Confident | 81.8 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | trans | -64.7 | 123.7 | 175.6 | 27 | -33 | 0 | 0 | 0 | 109.8 | V116 | V116-P131 HydrophobicContact CG1-CB 4.2Š| ||
| 132 | T | 88.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 75.6 Ų | 75.6 | 17% | 0.172 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.1 | -177.6 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | Y55 M56 V117 I123 Q130 A134 | Y55-T132 HydrophobicContact CD1-CG2 4.16Å; M56-T132 WeakPolarHBondContact O-CG2 3.45Å; V117-T132 PolarHBondContact N-O 2.72Å; V117-T132 PolarHBondContact O-N 2.75Å; I123-T132 HydrophobicContact CD1-CG2 4.31Å; Q130-T132 PolarHBondContact O-N 3.08Å; Q130-T132 PolarHBondContact O-OG1 2.81Å; T132-A134 PolarHBondContact O-N 2.66Å |
| 133 | V | 91.4 | Very high | 82.6 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 113 | 173.5 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | Y55 M56 V116 | Y55-V133 WeakPolarHBondContact CA-O 3.28Å; M56-V133 HydrophobicContact CB-CB 3.81Å; M56-V133 HydrophobicContact CB-CG2 4.44Å; M56-V133 PolarHBondContact N-O 2.77Å; M56-V133 HydrophobicContact SD-CB 4.09Å; M56-V133 HydrophobicContact SD-CG2 3.98Å; V116-V133 HydrophobicContact CG2-CG2 4.29Å |
| 134 | A | 93.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L53 Y54 Y55 F95 S114 I115 V117 T132 | L53-A134 HydrophobicContact CD1-CB 4.21Å; Y54-A134 CarbonylContact O-C 3.54Å; Y54-A134 WeakPolarHBondContact O-CA 3.34Å; Y55-A134 HydrophobicContact CD1-CB 3.87Å; Y55-A134 HydrophobicContact CE1-CB 3.76Å; F95-A134 HydrophobicContact CE2-CB 3.87Å; F95-A134 HydrophobicContact CZ-CB 4.09Å; S114-A134 CarbonylContact C-O 3.58Å; S114-A134 WeakPolarHBondContact CA-O 2.94Å; I115-A134 PolarHBondContact N-O 2.98Å; I115-A134 PolarHBondContact O-N 2.79Å; V117-A134 HydrophobicContact CG2-CB 3.98Å; T132-A134 PolarHBondContact O-N 2.66Å |
| 135 | L | 93.9 | Very high | 84.6 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.6 | 176.5 | 172.1 | 69.8 | 0 | 0 | 0 | 109.2 | Y54 Y62 A108 L113 R137 | Y54-L135 PolarHBondContact N-O 3.33Å; Y54-L135 PolarHBondContact O-N 3.16Å; Y62-L135 HydrophobicContact CD1-CB 3.97Å; Y62-L135 HydrophobicContact CD1-CD2 3.85Å; Y62-L135 HydrophobicContact CE1-CB 3.66Å; Y62-L135 HydrophobicContact CE1-CD2 3.78Å; Y62-L135 HydrophobicContact CE1-CG 4.31Å; Y62-L135 HydrophobicContact CE2-CD2 4.46Å; Y62-L135 HydrophobicContact CG-CD2 4.23Å; A108-L135 HydrophobicContact CB-CD1 3.51Å; L113-L135 CarbonylContact O-C 3.59Å; L113-L135 WeakPolarHBondContact O-CA 3.42Å; L135-R137 HydrophobicContact CG-CG 4.4Å |
| 136 | L | 95.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.1 | 177.1 | -57 | 173.9 | 0 | 0 | 0 | 108.7 | L53 L70 I84 G112 L113 I115 | L53-L136 HydrophobicContact CB-CD2 4.37Å; L53-L136 HydrophobicContact CD1-CD2 3.52Å; L53-L136 HydrophobicContact CG-CD2 4.5Å; L70-L136 HydrophobicContact CD2-CD1 4.17Å; I84-L136 HydrophobicContact CD1-CD2 3.38Å; G112-L136 CarbonylContact C-O 3.53Å; G112-L136 VanDerWaalsContact CA-O 3.3Å; G112-L136 WeakPolarHBondContact CA-O 3.4Å; L113-L136 HydrophobicContact CB-CB 4.3Å; L113-L136 PolarHBondContact N-O 2.99Å; L113-L136 PolarHBondContact O-N 2.86Å; I115-L136 HydrophobicContact CD1-CD1 4.17Å |
| 137 | R | 94.7 | Very high | 88 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.4 | 172.8 | -71.9 | -167 | 175.3 | 177.4 | 0.4 | 110.9 | C51 K52 Y54 N111 L135 | C51-R137 CarbonylContact C-O 3.49Å; C51-R137 VanDerWaalsContact CA-O 3.29Å; C51-R137 WeakPolarHBondContact CA-O 3.41Å; K52-R137 PolarHBondContact N-O 3.23Å; K52-R137 PolarHBondContact O-N 3.25Å; Y54-R137 HydrophobicContact CD2-CG 4.31Å; Y54-R137 HydrophobicContact CE2-CB 4.12Å; Y54-R137 HydrophobicContact CE2-CG 3.96Å; N111-R137 WeakPolarHBondContact O-CA 2.95Å; L135-R137 HydrophobicContact CG-CG 4.4Å |
| 138 | V | 95.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 168.5 | 172.7 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | V49 C51 N111 T140 Q143 L144 L147 | V49-V138 HydrophobicContact CG1-CG1 4.39Å; V49-V138 HydrophobicContact CG2-CG1 4.11Å; C51-V138 HydrophobicContact CB-CG1 4.2Å; N111-V138 HydrophobicContact CB-CG2 4.31Å; N111-V138 PolarHBondContact ND2-O 3.34Å; N111-V138 WeakPolarHBondContact O-CG2 3.34Å; N111-V138 PolarHBondContact O-N 2.87Å; V138-T140 VanDerWaalsContact CG2-O 3.26Å; V138-T140 WeakPolarHBondContact CG2-O 3.37Å; V138-Q143 HydrophobicContact CB-CB 4.29Å; V138-Q143 HydrophobicContact CG2-CB 4.31Å; V138-L144 HydrophobicContact CG2-CB 3.57Å; V138-L144 HydrophobicContact CG2-CD1 4.12Å; V138-L144 HydrophobicContact CG2-CG 4.43Å; V138-L147 HydrophobicContact CG1-CD2 4.14Å |
| 139 | K | 93.5 | Very high | 91.3 | Very high | 185 Ų | 185 | 61.4 Ų | 61.4 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -73.5 | -43.5 | -174.9 | -172 | 178.8 | 179.1 | -177.4 | 0 | 112.2 | ||
| 140 | T | 94.5 | Very high | 92.5 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -121.1 | 156 | -177.1 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | V138 V142 Q143 L144 | V138-T140 VanDerWaalsContact CG2-O 3.26Å; V138-T140 WeakPolarHBondContact CG2-O 3.37Å; T140-V142 VanDerWaalsContact C-N 3.32Å; T140-Q143 PolarHBondContact O-N 2.86Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.35Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.48Å; T140-Q143 PolarHBondContact OG1-N 2.96Å; T140-L144 PolarHBondContact O-N 2.65Å |
| 141 | D | 92.9 | Very high | 93 | Very high | 101 Ų | 101 | 52 Ų | 52 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.8 | -29.8 | 174.3 | 56.3 | -70.9 | 0 | 0 | 0 | 112.7 | L144 T145 | D141-L144 WeakPolarHBondContact O-CB 3.33Å; D141-L144 PolarHBondContact O-N 3.45Å; D141-T145 PolarHBondContact O-N 2.85Å; D141-T145 PolarHBondContact O-OG1 2.79Å |
| 142 | V | 93.9 | Very high | 93.3 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 172.1 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | T140 L144 T145 E146 | T140-V142 VanDerWaalsContact C-N 3.32Å; V142-L144 VanDerWaalsContact C-N 3.25Å; V142-L144 PolarHBondContact O-N 2.81Å; V142-T145 PolarHBondContact O-N 2.9Å; V142-T145 VanDerWaalsContact O-N 3.1Å; V142-E146 WeakPolarHBondContact O-CG 3.42Å; V142-E146 PolarHBondContact O-N 2.87Å |
| 143 | Q | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -33.8 | 175.7 | -76.1 | 176.5 | -24.1 | 0 | 0 | 112.5 | V49 V138 T140 T145 L147 | V49-Q143 HydrophobicContact CG2-CB 4.31Å; V49-Q143 HydrophobicContact CG2-CG 4.45Å; V138-Q143 HydrophobicContact CB-CB 4.29Å; V138-Q143 HydrophobicContact CG2-CB 4.31Å; T140-Q143 PolarHBondContact O-N 2.86Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.35Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.48Å; T140-Q143 PolarHBondContact OG1-N 2.96Å; Q143-T145 VanDerWaalsContact C-N 3.33Å; Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 PolarHBondContact O-N 3.32Å |
| 144 | L | 93.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 177.2 | -179.1 | 67.6 | 0 | 0 | 0 | 110.9 | K110 L113 V138 T140 D141 V142 L148 | K110-L144 WeakPolarHBondContact O-CD2 3.47Å; L113-L144 HydrophobicContact CB-CD1 3.9Å; L113-L144 HydrophobicContact CD1-CD1 4.27Å; V138-L144 HydrophobicContact CG2-CB 3.57Å; V138-L144 HydrophobicContact CG2-CD1 4.12Å; V138-L144 HydrophobicContact CG2-CG 4.43Å; T140-L144 PolarHBondContact O-N 2.65Å; D141-L144 WeakPolarHBondContact O-CB 3.33Å; D141-L144 PolarHBondContact O-N 3.45Å; V142-L144 VanDerWaalsContact C-N 3.25Å; V142-L144 PolarHBondContact O-N 2.81Å; L144-L148 PolarHBondContact O-N 3.46Å |
| 145 | T | 93.2 | Very high | 93.4 | Very high | 59 Ų | 59 | 55 Ų | 55 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.3 | -48 | -179.3 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | D141 V142 Q143 L147 L148 D149 | D141-T145 PolarHBondContact O-N 2.85Å; D141-T145 PolarHBondContact O-OG1 2.79Å; V142-T145 PolarHBondContact O-N 2.9Å; V142-T145 VanDerWaalsContact O-N 3.1Å; Q143-T145 VanDerWaalsContact C-N 3.33Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 2.99Å; T145-L148 PolarHBondContact O-N 2.95Å; T145-L148 VanDerWaalsContact O-N 3.12Å; T145-D149 VanDerWaalsContact O-CG 3.3Å; T145-D149 PolarHBondContact O-N 3.15Å |
| 146 | E | 93.7 | Very high | 93.3 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 173.6 | -70.6 | 175 | -178.8 | 0 | 0 | 112 | V142 L148 D149 K150 | V142-E146 WeakPolarHBondContact O-CG 3.42Å; V142-E146 PolarHBondContact O-N 2.87Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3.26Å; E146-D149 PolarHBondContact O-N 3.44Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 WeakPolarHBondContact O-CG 3.12Å; E146-K150 PolarHBondContact O-N 3.39Å |
| 147 | L | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.1 | 177.2 | 62.5 | 0 | 0 | 0 | 111.7 | V49 L70 V72 L113 V138 Q143 T145 K150 I151 | V49-L147 HydrophobicContact CG1-CD1 3.95Å; V49-L147 HydrophobicContact CG1-CD2 4.08Å; V49-L147 HydrophobicContact CG1-CG 4.45Å; L70-L147 HydrophobicContact CD2-CD1 3.73Å; L70-L147 HydrophobicContact CD2-CD2 3.74Å; L70-L147 HydrophobicContact CD2-CG 4.37Å; V72-L147 HydrophobicContact CG2-CD1 3.78Å; L113-L147 HydrophobicContact CD2-CD2 4.28Å; V138-L147 HydrophobicContact CG1-CD2 4.14Å; Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 2.99Å; L147-K150 PolarHBondContact O-N 2.91Å; L147-I151 HydrophobicContact CD1-CD1 4Å; L147-I151 HydrophobicContact CD1-CG1 4.26Å; L147-I151 HydrophobicContact CG-CD1 3.91Å; L147-I151 WeakPolarHBondContact O-CD1 3.49Å; L147-I151 WeakPolarHBondContact O-CG1 3.43Å; L147-I151 PolarHBondContact O-N 2.84Å |
| 148 | L | 92.7 | Very high | 92.9 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.6 | -176 | 68.9 | 0 | 0 | 0 | 111 | I105 K107 L113 L144 T145 E146 K150 I151 E152 | I105-L148 HydrophobicContact CG2-CD1 3.99Å; K107-L148 HydrophobicContact CD-CD2 4.42Å; L113-L148 HydrophobicContact CD1-CD1 4.24Å; L144-L148 PolarHBondContact O-N 3.46Å; T145-L148 PolarHBondContact O-N 2.95Å; T145-L148 VanDerWaalsContact O-N 3.12Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3.26Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.96Å; L148-I151 PolarHBondContact O-N 2.76Å; L148-I151 VanDerWaalsContact O-N 3.15Å; L148-E152 PolarHBondContact O-N 3.06Å |
| 149 | D | 93.8 | Very high | 92.5 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 179.1 | -64.8 | -25.8 | 0 | 0 | 0 | 110.8 | T145 E146 E152 E153 | T145-D149 VanDerWaalsContact O-CG 3.3Å; T145-D149 PolarHBondContact O-N 3.15Å; E146-D149 PolarHBondContact O-N 3.44Å; D149-E152 PolarHBondContact O-N 2.89Å; D149-E153 WeakPolarHBondContact O-CB 3.21Å; D149-E153 PolarHBondContact O-N 2.86Å |
| 150 | K | 93.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 176 | -71.8 | -73 | 163.6 | -162.1 | 0 | 112.8 | I46 H47 E146 L147 L148 E153 A154 | I46-K150 HydrophobicContact CD1-CB 4.28Å; I46-K150 HydrophobicContact CD1-CD 4.26Å; I46-K150 VanDerWaalsContact CD1-O 3.29Å; I46-K150 WeakPolarHBondContact CD1-O 3.29Å; H47-K150 HydrophobicContact CB-CB 4.01Å; H47-K150 HydrophobicContact CB-CD 4.1Å; H47-K150 HydrophobicContact CB-CG 3.91Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 WeakPolarHBondContact O-CG 3.12Å; E146-K150 PolarHBondContact O-N 3.39Å; L147-K150 PolarHBondContact O-N 2.91Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.96Å; K150-E153 WeakPolarHBondContact CD-OE2 3.42Å; K150-E153 IonicContact NZ-OE1 3.31Å; K150-E153 IonicContact NZ-OE2 3.95Å; K150-E153 PolarHBondContact NZ-OE2 3.44Å; K150-E153 PolarHBondContact O-N 2.88Å; K150-A154 WeakPolarHBondContact O-CB 3.17Å; K150-A154 PolarHBondContact O-N 2.9Å |
| 151 | I | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 174.6 | -67.9 | 163.7 | 0 | 0 | 0 | 110.8 | V72 L82 I99 I105 L113 L147 L148 A154 K155 | V72-I151 HydrophobicContact CG1-CG1 4.29Å; V72-I151 HydrophobicContact CG2-CG1 4.24Å; L82-I151 HydrophobicContact CD2-CG1 4.36Å; I99-I151 HydrophobicContact CD1-CG2 3.73Å; I105-I151 HydrophobicContact CD1-CG2 3.43Å; I105-I151 VanDerWaalsContact CD1-CG2 3.43Å; L113-I151 HydrophobicContact CD2-CD1 3.81Å; L147-I151 HydrophobicContact CD1-CD1 4Å; L147-I151 HydrophobicContact CD1-CG1 4.26Å; L147-I151 HydrophobicContact CG-CD1 3.91Å; L147-I151 WeakPolarHBondContact O-CD1 3.49Å; L147-I151 WeakPolarHBondContact O-CG1 3.43Å; L147-I151 PolarHBondContact O-N 2.84Å; L148-I151 PolarHBondContact O-N 2.76Å; L148-I151 VanDerWaalsContact O-N 3.15Å; I151-A154 PolarHBondContact O-N 3.13Å; I151-K155 HydrophobicContact CG2-CD 4.5Å; I151-K155 WeakPolarHBondContact O-CB 3.17Å; I151-K155 VanDerWaalsContact O-CG 3.31Å; I151-K155 WeakPolarHBondContact O-CG 3.17Å; I151-K155 PolarHBondContact O-N 3.29Å |
| 152 | E | 92.1 | Very high | 91.7 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175 | -70.3 | -173.8 | -174.9 | 0 | 0 | 112.4 | L148 D149 K155 K156 | L148-E152 PolarHBondContact O-N 3.06Å; D149-E152 PolarHBondContact O-N 2.89Å; E152-K155 WeakPolarHBondContact O-CB 3.19Å; E152-K155 PolarHBondContact O-N 2.81Å; E152-K156 WeakPolarHBondContact O-CG 3.17Å; E152-K156 PolarHBondContact O-N 2.78Å; E152-K156 VanDerWaalsContact O-N 3.1Å |
| 153 | E | 93 | Very high | 91.4 | Very high | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 171.8 | -172.4 | 179.1 | -177.1 | 0 | 0 | 110.6 | D149 K150 K155 K156 E157 | D149-E153 WeakPolarHBondContact O-CB 3.21Å; D149-E153 PolarHBondContact O-N 2.86Å; K150-E153 WeakPolarHBondContact CD-OE2 3.42Å; K150-E153 IonicContact NZ-OE1 3.31Å; K150-E153 IonicContact NZ-OE2 3.95Å; K150-E153 PolarHBondContact NZ-OE2 3.44Å; K150-E153 PolarHBondContact O-N 2.88Å; E153-K155 VanDerWaalsContact C-N 3.28Å; E153-K155 PolarHBondContact O-N 2.79Å; E153-K156 WeakPolarHBondContact O-CB 3.3Å; E153-K156 PolarHBondContact O-N 3.35Å; E153-E157 WeakPolarHBondContact O-CB 3.22Å; E153-E157 PolarHBondContact O-N 3.04Å |
| 154 | A | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I46 V72 P74 V80 K150 I151 K156 E157 A158 | I46-A154 HydrophobicContact CD1-CB 3.65Å; I46-A154 HydrophobicContact CG1-CB 4.49Å; V72-A154 HydrophobicContact CG1-CB 3.86Å; P74-A154 HydrophobicContact CB-CB 4.4Å; V80-A154 HydrophobicContact CB-CB 4.24Å; V80-A154 HydrophobicContact CG1-CB 3.62Å; V80-A154 HydrophobicContact CG2-CB 3.55Å; V80-A154 WeakPolarHBondContact CG2-O 3.05Å; K150-A154 WeakPolarHBondContact O-CB 3.17Å; K150-A154 PolarHBondContact O-N 2.9Å; I151-A154 PolarHBondContact O-N 3.13Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 2.87Å; A154-E157 PolarHBondContact O-N 2.68Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 3.44Å |
| 155 | K | 91.3 | Very high | 90.5 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 176.5 | -82.5 | -179.1 | 174.8 | -163.5 | 0 | 111.5 | V80 D100 Q101 T103 I151 E152 E153 S159 | V80-K155 HydrophobicContact CG2-CB 4.38Å; V80-K155 HydrophobicContact CG2-CG 3.89Å; D100-K155 VanDerWaalsContact O-CE 3.24Å; D100-K155 WeakPolarHBondContact O-CE 3.38Å; D100-K155 PolarHBondContact O-NZ 2.78Å; Q101-K155 HydrophobicContact CG-CB 4.27Å; Q101-K155 PolarHBondContact NE2-O 2.79Å; Q101-K155 PolarHBondContact O-NZ 3.04Å; T103-K155 PolarHBondContact O-NZ 3.44Å; T103-K155 VanDerWaalsContact O-NZ 3.14Å; I151-K155 HydrophobicContact CG2-CD 4.5Å; I151-K155 WeakPolarHBondContact O-CB 3.17Å; I151-K155 VanDerWaalsContact O-CG 3.31Å; I151-K155 WeakPolarHBondContact O-CG 3.17Å; I151-K155 PolarHBondContact O-N 3.29Å; E152-K155 WeakPolarHBondContact O-CB 3.19Å; E152-K155 PolarHBondContact O-N 2.81Å; E153-K155 VanDerWaalsContact C-N 3.28Å; E153-K155 PolarHBondContact O-N 2.79Å; K155-S159 PolarHBondContact O-N 3.12Å |
| 156 | K | 91.7 | Very high | 89.8 | Confident | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.5 | -47.9 | 175.7 | -68.5 | 167.9 | -174.9 | 169.1 | 0 | 110.8 | E152 E153 A154 S159 C160 | E152-K156 WeakPolarHBondContact O-CG 3.17Å; E152-K156 PolarHBondContact O-N 2.78Å; E152-K156 VanDerWaalsContact O-N 3.1Å; E153-K156 WeakPolarHBondContact O-CB 3.3Å; E153-K156 PolarHBondContact O-N 3.35Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 2.87Å; K156-S159 WeakPolarHBondContact O-CB 3.37Å; K156-S159 PolarHBondContact O-N 2.91Å; K156-C160 PolarHBondContact O-N 2.97Å |
| 157 | E | 90.4 | Very high | 88.6 | Confident | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 178.7 | -172.5 | -178 | 167.2 | 0 | 0 | 111.5 | P74 E153 A154 S159 C160 L161 | P74-E157 HydrophobicContact CB-CB 4.43Å; P74-E157 HydrophobicContact CB-CG 4.4Å; P74-E157 HydrophobicContact CG-CG 4.44Å; E153-E157 WeakPolarHBondContact O-CB 3.22Å; E153-E157 PolarHBondContact O-N 3.04Å; A154-E157 PolarHBondContact O-N 2.68Å; E157-S159 VanDerWaalsContact C-N 3.29Å; E157-S159 PolarHBondContact O-N 3.37Å; E157-C160 WeakPolarHBondContact O-CA 3.36Å; E157-C160 WeakPolarHBondContact O-CB 3.29Å; E157-C160 PolarHBondContact O-N 2.81Å; E157-L161 HydrophobicContact CG-CD1 4.19Å; E157-L161 HydrophobicContact CG-CG 4.4Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.87Å |
| 158 | A | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P74 G78 R79 V80 A154 C160 L161 R162 | P74-A158 HydrophobicContact CB-CB 4.16Å; G78-A158 VanDerWaalsContact CA-C 3.5Å; G78-A158 WeakPolarHBondContact CA-O 3.12Å; R79-A158 WeakPolarHBondContact O-CB 3.46Å; V80-A158 HydrophobicContact CG2-CB 4.31Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 3.44Å; A158-C160 VanDerWaalsContact C-N 3.33Å; A158-C160 PolarHBondContact O-N 2.96Å; A158-L161 PolarHBondContact O-N 3.43Å; A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 PolarHBondContact O-N 3.26Å |
| 159 | S | 88.2 | Confident | 88.1 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | Q101 K155 K156 E157 R162 N163 | Q101-S159 VanDerWaalsContact NE2-CB 3.35Å; K155-S159 PolarHBondContact O-N 3.12Å; K156-S159 WeakPolarHBondContact O-CB 3.37Å; K156-S159 PolarHBondContact O-N 2.91Å; E157-S159 VanDerWaalsContact C-N 3.29Å; E157-S159 PolarHBondContact O-N 3.37Å; S159-R162 PolarHBondContact O-N 2.88Å; S159-N163 PolarHBondContact O-N 3.25Å; S159-N163 PolarHBondContact O-ND2 3.33Å; S159-N163 VanDerWaalsContact O-ND2 3.08Å |
| 160 | C | 88.8 | Confident | 87.8 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 48% | 0.48 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 174.3 | -168 | 0 | 0 | 0 | 0 | 111.7 | K156 E157 A158 R162 N163 L164 | K156-C160 PolarHBondContact O-N 2.97Å; E157-C160 WeakPolarHBondContact O-CA 3.36Å; E157-C160 WeakPolarHBondContact O-CB 3.29Å; E157-C160 PolarHBondContact O-N 2.81Å; A158-C160 VanDerWaalsContact C-N 3.33Å; A158-C160 PolarHBondContact O-N 2.96Å; C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 2.79Å; C160-N163 PolarHBondContact O-N 3.29Å; C160-L164 PolarHBondContact O-N 2.94Å; C160-L164 VanDerWaalsContact O-N 3.12Å |
| 161 | L | 87 | Confident | 87.5 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 178.1 | -68.4 | 173.3 | 0 | 0 | 0 | 112.4 | P74 E157 A158 N163 L164 A165 | P74-L161 HydrophobicContact CB-CD1 4.47Å; E157-L161 HydrophobicContact CG-CD1 4.19Å; E157-L161 HydrophobicContact CG-CG 4.4Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.87Å; A158-L161 PolarHBondContact O-N 3.43Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.23Å; L161-L164 PolarHBondContact O-N 3.31Å; L161-A165 WeakPolarHBondContact O-CB 3.26Å; L161-A165 PolarHBondContact O-N 2.66Å |
| 162 | R | 87.1 | Confident | 87.2 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 175.1 | -178 | -164.7 | -74.4 | 161.1 | 0.6 | 112.2 | T76 S77 G78 A158 S159 C160 K166 | T76-R162 WeakPolarHBondContact O-CA 3.22Å; S77-R162 VanDerWaalsContact O-CZ 3.23Å; S77-R162 PolarHBondContact O-NE 3.04Å; S77-R162 PolarHBondContact O-NH2 3.06Å; G78-R162 VanDerWaalsContact CA-NH2 3.28Å; G78-R162 PolarHBondContact O-NH2 3.1Å; A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 PolarHBondContact O-N 3.26Å; S159-R162 PolarHBondContact O-N 2.88Å; C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 2.79Å; R162-K166 WeakPolarHBondContact O-CG 3.46Å; R162-K166 PolarHBondContact O-N 2.94Å |
| 163 | N | 87.6 | Confident | 86.8 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 180 | -64.2 | -36.5 | 0 | 0 | 0 | 111.4 | S159 C160 L161 K166 | S159-N163 PolarHBondContact O-N 3.25Å; S159-N163 PolarHBondContact O-ND2 3.33Å; S159-N163 VanDerWaalsContact O-ND2 3.08Å; C160-N163 PolarHBondContact O-N 3.29Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.23Å; N163-K166 PolarHBondContact O-N 3.24Å |
| 164 | L | 86.8 | Confident | 86.4 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | 175.7 | -68.7 | 170.1 | 0 | 0 | 0 | 112.4 | C160 L161 K166 S167 | C160-L164 PolarHBondContact O-N 2.94Å; C160-L164 VanDerWaalsContact O-N 3.12Å; L161-L164 PolarHBondContact O-N 3.31Å; L164-K166 PolarHBondContact O-N 3.46Å; L164-S167 PolarHBondContact O-N 3.38Å |
| 165 | A | 81.1 | Confident | 86 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L161 | L161-A165 WeakPolarHBondContact O-CB 3.26Å; L161-A165 PolarHBondContact O-N 2.66Å |
| 166 | K | 78.7 | Confident | 85.5 | Confident | 167 Ų | 167 | 88 Ų | 88 | 73% | 0.726 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -13.2 | 175.7 | -74.2 | 179.6 | 178.4 | -173.9 | 0 | 113.3 | R162 N163 L164 | R162-K166 WeakPolarHBondContact O-CG 3.46Å; R162-K166 PolarHBondContact O-N 2.94Å; N163-K166 PolarHBondContact O-N 3.24Å; L164-K166 PolarHBondContact O-N 3.46Å |
| 167 | S | 68.8 | Low | 85 | Confident | 158 Ų | 158 | 82.9 Ų | 82.9 | 100% | 1.105 | 47% | 0.467 | S | S | * | . | trans | -87.2 | 0 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | L164 | L164-S167 PolarHBondContact O-N 3.38Š|
Retrieved 167 of 167 residues in 45.8 ms
(Link to these results)