| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 43.5 | Very low | 251 Ų | 251 | 133.9 Ų | 133.9 | 100% | 1.236 | 84% | 0.844 | S | S | * | * | 0 | 124.6 | 0 | -71.3 | -142.5 | -159.6 | 0 | 0 | 108.3 | |||||
| 2 | A | 32.9 | Very low | 43.3 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -80.3 | 154 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3 | A | 41.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | 174 | 115.9 | 123 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 4 | S | 37.2 | Very low | 42.4 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -92.2 | 139.9 | 163.9 | 50.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 5 | V | 44.5 | Very low | 42.1 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -152.8 | 111.3 | 154.9 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | A | 44.6 | Very low | 42 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 70% | 0.702 | 84% | 0.835 | S | S | * | * | trans | -100.2 | -179.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 7 | P | 50.8 | Low | 41.8 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | cis | -137.8 | -169.8 | 4.4 | 35.7 | -12.5 | 0 | 0 | 0 | 113.2 | ||||
| 8 | G | 55.3 | Low | 41.5 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -171.1 | 103.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 9 | V | 40.2 | Very low | 41.5 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | trans | -109.3 | 139.8 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | R | 42 | Very low | 41.2 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | 164.1 | 111.7 | 140 | -97.9 | 178 | 165.4 | -173.2 | -4.8 | 111.6 | ||||
| 11 | T | 40.6 | Very low | 41.3 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 62% | 0.62 | 83% | 0.831 | S | S | * | * | 77.9 | 128.2 | 89.6 | 57.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 12 | L | 41.5 | Very low | 41 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | 152.1 | 102.9 | 138.3 | -85.6 | 148.9 | 0 | 0 | 0 | 108.4 | ||||
| 13 | W | 33.7 | Very low | 41.6 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | 82.5 | 146.9 | 76.1 | -84.1 | 60.6 | 0 | 0 | 0 | 115.4 | |||||
| 14 | W | 39.8 | Very low | 41.4 | Very low | 221 Ų | 221 | 138.3 Ų | 138.3 | 84% | 0.837 | 81% | 0.805 | S | S | * | * | trans | 90.4 | 102.3 | 174.8 | -60 | 89.5 | 0 | 0 | 0 | 115.4 | ||||
| 15 | A | 39.2 | Very low | 41.7 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | 97.8 | 123.2 | 57.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 16 | G | 39.7 | Very low | 41.5 | Very low | 84 Ų | 84 | 145 Ų | 145 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 173.7 | 86.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 17 | A | 38.2 | Very low | 41.2 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -89.6 | 154 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 18 | A | 37.3 | Very low | 40.4 | Very low | 89 Ų | 89 | 150.2 Ų | 150.2 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 72.2 | 124.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 19 | W | 40.5 | Very low | 39.4 | Very low | 245 Ų | 245 | 156.2 Ų | 156.2 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | -153.8 | 129.1 | 113.8 | -115.2 | 60.2 | 0 | 0 | 0 | 110.3 | |||||
| 20 | L | 37 | Very low | 39.4 | Very low | 159 Ų | 159 | 161.5 Ų | 161.5 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -87.9 | 137 | -176.8 | -145.8 | 95.7 | 0 | 0 | 0 | 108.8 | ||||
| 21 | R | 42.3 | Very low | 39.1 | Very low | 208 Ų | 208 | 156.2 Ų | 156.2 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -168.7 | 108.6 | 143.6 | -110 | 177.8 | -175.1 | -130 | 1.5 | 114 | ||||
| 22 | Q | 43.6 | Very low | 38.5 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | 57.9 | 125.8 | 131.9 | -71.4 | -177.7 | -15.7 | 0 | 0 | 122.7 | ||||
| 23 | G | 44.5 | Very low | 38.5 | Very low | 81 Ų | 81 | 162.8 Ų | 162.8 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | 121.8 | 98.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 24 | G | 36.9 | Very low | 38.3 | Very low | 72 Ų | 72 | 161 Ų | 161 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | cis | 100.7 | 87.4 | 33.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 25 | I | 44.1 | Very low | 37.9 | Very low | 176 Ų | 176 | 154.2 Ų | 154.2 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -166 | 115.5 | 146.3 | -90.5 | 145.8 | 0 | 0 | 0 | 109 | ||||
| 26 | R | 39.1 | Very low | 37.6 | Very low | 223 Ų | 223 | 155.3 Ų | 155.3 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | -63.6 | 153.2 | 163.3 | -78.9 | 176.2 | 166.2 | -174.7 | -4.2 | 109.8 | ||||
| 27 | E | 39.9 | Very low | 37.6 | Very low | 175 Ų | 175 | 157.2 Ų | 157.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | cis | -151.1 | 144.4 | 27.8 | -77.3 | -158 | 157.6 | 0 | 0 | 111.9 | ||||
| 28 | L | 34.2 | Very low | 37.4 | Very low | 150 Ų | 150 | 159 Ų | 159 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -77.9 | 149 | 159 | -69.3 | 156.2 | 0 | 0 | 0 | 109 | ||||
| 29 | F | 32.2 | Very low | 37.4 | Very low | 207 Ų | 207 | 157.9 Ų | 157.9 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | trans | 139 | 94.4 | 150.1 | -82.8 | -75.2 | 0 | 0 | 0 | 111.7 | ||||
| 30 | R | 40.6 | Very low | 37.3 | Very low | 243 Ų | 243 | 156.8 Ų | 156.8 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -132.3 | 137.1 | 140.6 | -83.8 | -164.4 | -178.2 | -163.8 | 1 | 109.2 | ||||
| 31 | P | 35.6 | Very low | 37.1 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | -77.2 | 146.7 | -166.6 | 32.3 | -33.7 | 0 | 0 | 0 | 111.4 | I33 | P31-I33 PolarHBondContact O-N 3.04Š| ||
| 32 | R | 29.5 | Very low | 37 | Very low | 225 Ų | 225 | 155 Ų | 155 | 85% | 0.849 | 82% | 0.819 | S | S | * | * | trans | -56.8 | 117.3 | 164.7 | -119.9 | 174.7 | -176.9 | 179.8 | 0.9 | 108.2 | E34 | R32-E34 PolarHBondContact O-N 3.38Š| ||
| 33 | I | 40.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -77.8 | 99.7 | 164.4 | -67.6 | 170.2 | 0 | 0 | 0 | 106.2 | P31 | P31-I33 PolarHBondContact O-N 3.04Š| ||
| 34 | E | 29.4 | Very low | 36.8 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -75.6 | 124.4 | 165.8 | -74.4 | 177.8 | 168.2 | 0 | 0 | 108.8 | R32 | R32-E34 PolarHBondContact O-N 3.38Š| ||
| 35 | G | 32.5 | Very low | 37 | Very low | 77 Ų | 77 | 153.5 Ų | 153.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 151 | 43.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 36 | S | 32.1 | Very low | 37.2 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -110 | 101 | 172.2 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | T | 39 | Very low | 37.8 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -53.8 | 131.6 | 166.1 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | G39 | T37-G39 VanDerWaalsContact C-N 3.32Å; T37-G39 PolarHBondContact O-N 2.93Å | ||
| 38 | P | 35 | Very low | 38.7 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -80.9 | 83.9 | 174.9 | 33.1 | -29.8 | 0 | 0 | 0 | 108.1 | ||||
| 39 | G | 35.9 | Very low | 40.8 | Very low | 64 Ų | 64 | 145.5 Ų | 145.5 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | -125.1 | 83.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T37 | T37-G39 VanDerWaalsContact C-N 3.32Å; T37-G39 PolarHBondContact O-N 2.93Å | ||
| 40 | R | 39.1 | Very low | 43.5 | Very low | 222 Ų | 222 | 139.3 Ų | 139.3 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | 55.7 | 94.5 | 165.6 | -71.5 | 176.4 | 172.7 | 175.5 | -2.7 | 115.5 | F42 | R40-F42 VanDerWaalsContact C-N 3.31Å; R40-F42 PolarHBondContact O-N 2.91Å | ||
| 41 | D | 32 | Very low | 46 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | trans | -53.5 | 93.7 | 155.5 | -61.6 | -50.1 | 0 | 0 | 0 | 109.9 | S43 | D41-S43 PolarHBondContact O-N 3.12Š| ||
| 42 | F | 40.6 | Very low | 48.9 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -65.4 | 85.7 | 154.1 | -78.1 | -83.9 | 0 | 0 | 0 | 106.3 | R40 L44 | R40-F42 VanDerWaalsContact C-N 3.31Å; R40-F42 PolarHBondContact O-N 2.91Å; F42-L44 PolarHBondContact O-N 3.39Å | ||
| 43 | S | 38 | Very low | 52 | Low | 80 Ų | 80 | 121.5 Ų | 121.5 | 56% | 0.559 | 67% | 0.673 | S | S | * | * | trans | 18.2 | 89.7 | 168.6 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | D41 S45 | D41-S43 PolarHBondContact O-N 3.12Å; S43-S45 PolarHBondContact O-N 2.9Å | ||
| 44 | L | 45.5 | Very low | 54.7 | Low | 133 Ų | 133 | 119.2 Ų | 119.2 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -61.6 | -1.7 | 160.1 | -72.2 | 168.4 | 0 | 0 | 0 | 112.3 | F42 H46 | F42-L44 PolarHBondContact O-N 3.39Å; L44-H46 PolarHBondContact O-N 3.49Å |
| 45 | S | 42.7 | Very low | 58 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | trans | -87.2 | 85.8 | 166.5 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | S43 | S43-S45 PolarHBondContact O-N 2.9Š| ||
| 46 | H | 47.5 | Very low | 61 | Low | 151 Ų | 151 | 119.8 Ų | 119.8 | 70% | 0.699 | 63% | 0.629 | S | S | * | * | trans | 144.9 | 72.1 | 146.5 | -76.5 | 92.6 | 0 | 0 | 0 | 109.3 | L44 Q48 | L44-H46 PolarHBondContact O-N 3.49Å; H46-Q48 HydrophobicContact CB-CG 3.9Å; H46-Q48 PolarHBondContact O-N 2.94Å | ||
| 47 | Y | 52 | Low | 64.1 | Low | 190 Ų | 190 | 120.2 Ų | 120.2 | 75% | 0.745 | 61% | 0.613 | S | S | * | * | trans | -56.4 | 98.9 | 132.2 | -57.5 | -82.8 | 0 | 0 | 0 | 104.2 | S49 | Y47-S49 PolarHBondContact O-N 3.47Š| ||
| 48 | Q | 59.5 | Low | 66.7 | Low | 158 Ų | 158 | 124 Ų | 124 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | trans | -67.8 | 78.3 | 173.5 | -68.5 | -174.6 | -3.2 | 0 | 0 | 106.6 | H46 T50 | H46-Q48 HydrophobicContact CB-CG 3.9Å; H46-Q48 PolarHBondContact O-N 2.94Å; Q48-T50 PolarHBondContact O-N 3.32Å; Q48-T50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | S | 76.7 | Confident | 69.6 | Low | 58 Ų | 58 | 119.4 Ų | 119.4 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | trans | -68.5 | 101.5 | 165.4 | 52.6 | 0 | 0 | 0 | 0 | 105.8 | Y47 V51 | Y47-S49 PolarHBondContact O-N 3.47Å; S49-V51 PolarHBondContact O-N 2.93Å | ||
| 50 | T | 89.4 | Confident | 72.4 | Confident | 77 Ų | 77 | 119.9 Ų | 119.9 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | trans | -77.8 | 116.8 | 169.8 | -51.2 | 0 | 0 | 0 | 0 | 107.8 | Q48 I52 T83 | Q48-T50 PolarHBondContact O-N 3.32Å; Q48-T50 VanDerWaalsContact O-N 3.08Å; T50-I52 HydrophobicContact CG2-CG1 4.35Å; T50-T83 WeakPolarHBondContact CA-OG1 3.39Å; T50-T83 WeakPolarHBondContact CB-OG1 3.48Å; T50-T83 PolarHBondContact N-OG1 3.48Å; T50-T83 WeakPolarHBondContact O-CB 3.5Å; T50-T83 WeakPolarHBondContact O-CG2 3.36Å; T50-T83 PolarHBondContact O-N 3.22Å; T50-T83 PolarHBondContact O-OG1 3.38Å | ||
| 51 | V | 93.4 | Very high | 75 | Confident | 73 Ų | 73 | 117.7 Ų | 117.7 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.6 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | S49 V53 L79 | S49-V51 PolarHBondContact O-N 2.93Å; V51-V53 HydrophobicContact CG1-CG1 4.01Å; V51-L79 HydrophobicContact CG1-CD1 3.29Å |
| 52 | I | 95.6 | Very high | 78 | Confident | 66 Ų | 66 | 112.6 Ų | 112.6 | 34% | 0.338 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.8 | 178.6 | -56.6 | 176.1 | 0 | 0 | 0 | 107.9 | T50 V80 E81 T83 | T50-I52 HydrophobicContact CG2-CG1 4.35Å; I52-V80 HydrophobicContact CG2-CB 4.33Å; I52-V80 WeakPolarHBondContact O-CB 3.46Å; I52-V80 PolarHBondContact O-N 2.98Å; I52-E81 HydrophobicContact CB-CB 4.46Å; I52-E81 PolarHBondContact N-O 3.47Å; I52-E81 PolarHBondContact O-N 2.96Å; I52-T83 HydrophobicContact CD1-CG2 4.33Å |
| 53 | V | 96.6 | Very high | 80.5 | Confident | 70 Ų | 70 | 106 Ų | 106 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.3 | -178.4 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | V51 Y77 K78 | V51-V53 HydrophobicContact CG1-CG1 4.01Å; V53-Y77 HydrophobicContact CB-CG 4.43Å; V53-Y77 HydrophobicContact CG2-CD1 3.86Å; V53-Y77 HydrophobicContact CG2-CE1 4.49Å; V53-Y77 HydrophobicContact CG2-CG 4.01Å; V53-K78 CarbonylContact C-O 3.56Å; V53-K78 WeakPolarHBondContact CA-O 3.46Å |
| 54 | E | 96.8 | Very high | 83.2 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.8 | 172.4 | -175.4 | 179.9 | -176.8 | 0 | 0 | 109.5 | Y77 K78 V80 | E54-Y77 CarbonylContact O-C 3.55Å; E54-Y77 VanDerWaalsContact O-CA 3.28Å; E54-Y77 WeakPolarHBondContact O-CA 3.3Å; E54-K78 PolarHBondContact N-O 3.44Å; E54-K78 PolarHBondContact O-N 3.21Å; E54-V80 HydrophobicContact CB-CG2 3.5Å |
| 55 | R | 97.3 | Very high | 85.6 | Confident | 107 Ų | 107 | 109.7 Ų | 109.7 | 40% | 0.404 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 132 | 172.1 | -72 | -178.3 | 179.2 | 97.6 | 2.9 | 109.5 | W57 H74 Y77 | R55-W57 PolarHBondContact O-N 3.42Å; R55-H74 WeakPolarHBondContact CD-O 3.41Å; R55-H74 PolarHBondContact NE-O 2.93Å; R55-Y77 HydrophobicContact CG-CD1 3.86Å; R55-Y77 HydrophobicContact CG-CE1 3.61Å |
| 56 | W | 96.2 | Very high | 88 | Confident | 154 Ų | 154 | 115.2 Ų | 115.2 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -61.4 | -35.6 | 178.3 | -164.1 | -88.2 | 0 | 0 | 0 | 112.6 | V76 K78 | W56-V76 HydrophobicContact CB-CB 4.24Å; W56-V76 HydrophobicContact CB-CG1 3.96Å; W56-V76 HydrophobicContact CG-CG1 4.48Å; W56-V76 PolarHBondContact N-O 3.13Å; W56-K78 HydrophobicContact CE3-CB 3.84Å; W56-K78 HydrophobicContact CE3-CD 4.17Å; W56-K78 HydrophobicContact CE3-CG 4.18Å; W56-K78 HydrophobicContact CZ3-CB 4.07Å; W56-K78 HydrophobicContact CZ3-CD 3.71Å; W56-K78 HydrophobicContact CZ3-CG 3.87Å |
| 57 | W | 96.7 | Very high | 90.3 | Very high | 127 Ų | 127 | 117.4 Ų | 117.4 | 48% | 0.481 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -106.7 | 132 | 179.8 | -60.2 | 92.7 | 0 | 0 | 0 | 110.3 | R55 V59 R73 | R55-W57 PolarHBondContact O-N 3.42Å; W57-V59 PolarHBondContact O-N 2.79Å; W57-R73 HydrophobicContact CB-CG 4.4Å; W57-R73 HydrophobicContact CG-CB 4.3Å; W57-R73 HydrophobicContact CG-CG 4.16Å |
| 58 | K | 95.4 | Very high | 92.3 | Very high | 203 Ų | 203 | 111.6 Ų | 111.6 | 88% | 0.883 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133.5 | 174.2 | -66.1 | -176.2 | 178.5 | -178.4 | 0 | 110.5 | ||
| 59 | V | 95.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 111.4 Ų | 111.4 | 26% | 0.255 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -85.6 | 127.2 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | W57 P68 L70 H74 | W57-V59 PolarHBondContact O-N 2.79Å; V59-P68 HydrophobicContact CG1-CB 3.75Å; V59-L70 HydrophobicContact CB-CD2 4.39Å; V59-L70 HydrophobicContact CG1-CD2 3.63Å; V59-L70 HydrophobicContact CG2-CD2 3.77Å; V59-H74 HydrophobicContact CG2-CB 4.3Å |
| 60 | P | 94.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 112.8 Ų | 112.8 | 48% | 0.481 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 141.6 | 176.9 | 27.3 | -33.9 | 0 | 0 | 0 | 110.4 | A62 | P60-A62 PolarHBondContact O-N 3.28Š|
| 61 | L | 93.7 | Very high | 95 | Very high | 175 Ų | 175 | 114.1 Ų | 114.1 | 92% | 0.916 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 132.6 | 179 | -64.2 | 173.5 | 0 | 0 | 0 | 109.9 | ||
| 62 | A | 94 | Very high | 95.1 | Very high | 40 Ų | 40 | 120.9 Ų | 120.9 | 33% | 0.331 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -84.1 | 157.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P60 R66 P68 | P60-A62 PolarHBondContact O-N 3.28Å; A62-R66 HydrophobicContact CB-CB 4.1Å; A62-R66 WeakPolarHBondContact CB-O 3.34Å; A62-P68 HydrophobicContact CB-CB 4.44Å |
| 63 | G | 92.7 | Very high | 95.2 | Very high | 47 Ų | 47 | 124 Ų | 124 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 156 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | G65 R66 | G63-G65 PolarHBondContact O-N 2.99Å; G63-R66 VanDerWaalsContact O-CB 3.3Å; G63-R66 WeakPolarHBondContact O-CB 3.46Å; G63-R66 PolarHBondContact O-N 3.16Å |
| 64 | E | 94.7 | Very high | 95.2 | Very high | 201 Ų | 201 | 120.8 Ų | 120.8 | 94% | 0.939 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 135.6 | -178.5 | -167.7 | 171.4 | -175.9 | 0 | 0 | 111.8 | R66 | E64-R66 PolarHBondContact O-N 2.88Å; E64-R66 VanDerWaalsContact O-N 3.13Å |
| 65 | G | 95.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 124.4 Ų | 124.4 | 91% | 0.907 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72 | -5.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G63 | G63-G65 PolarHBondContact O-N 2.99Š|
| 66 | R | 94.8 | Very high | 95.1 | Very high | 200 Ų | 200 | 122.9 Ų | 122.9 | 76% | 0.755 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -95.5 | 145 | 177.3 | -59 | -175.5 | 179.2 | -170.7 | -0.2 | 111.2 | A62 G63 E64 | A62-R66 HydrophobicContact CB-CB 4.1Å; A62-R66 WeakPolarHBondContact CB-O 3.34Å; G63-R66 VanDerWaalsContact O-CB 3.3Å; G63-R66 WeakPolarHBondContact O-CB 3.46Å; G63-R66 PolarHBondContact O-N 3.16Å; E64-R66 PolarHBondContact O-N 2.88Å; E64-R66 VanDerWaalsContact O-N 3.13Å |
| 67 | K | 94.4 | Very high | 95.1 | Very high | 197 Ų | 197 | 121.2 Ų | 121.2 | 86% | 0.857 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 139.6 | 175.2 | -64.1 | -179.8 | -177.2 | 176.9 | 0 | 110.2 | ||
| 68 | P | 94.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 120.6 Ų | 120.6 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 137.2 | 176.7 | 27.4 | -34 | 0 | 0 | 0 | 111.7 | V59 A62 L70 | V59-P68 HydrophobicContact CG1-CB 3.75Å; A62-P68 HydrophobicContact CB-CB 4.44Å; P68-L70 PolarHBondContact O-N 3.44Å |
| 69 | H | 93.4 | Very high | 95.2 | Very high | 154 Ų | 154 | 116.1 Ų | 116.1 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | trans | -78.1 | 115.4 | 173.6 | -171.2 | 72.5 | 0 | 0 | 0 | 110.1 | ||||
| 70 | L | 95.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 118.1 Ų | 118.1 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | trans | -96.2 | 125.2 | -178.5 | -62.7 | -179.2 | 0 | 0 | 0 | 111 | V59 P68 H74 | V59-L70 HydrophobicContact CB-CD2 4.39Å; V59-L70 HydrophobicContact CG1-CD2 3.63Å; V59-L70 HydrophobicContact CG2-CD2 3.77Å; P68-L70 PolarHBondContact O-N 3.44Å; L70-H74 HydrophobicContact CD2-CB 4.29Å | ||
| 71 | H | 94.4 | Very high | 95.2 | Very high | 106 Ų | 106 | 118.1 Ų | 118.1 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | trans | -92.1 | 162.9 | 172.9 | -160.5 | 61.2 | 0 | 0 | 0 | 111.3 | R73 H74 | H71-R73 HydrophobicContact CB-CG 4.29Å; H71-R73 PolarHBondContact O-N 2.89Å; H71-R73 VanDerWaalsContact O-N 3.14Å; H71-H74 PolarHBondContact N-ND1 3.23Å; H71-H74 VanDerWaalsContact N-ND1 3.15Å; H71-H74 WeakPolarHBondContact O-CB 3.38Å; H71-H74 PolarHBondContact O-N 3.4Å | ||
| 72 | R | 96.5 | Very high | 95.2 | Very high | 215 Ų | 215 | 110.9 Ų | 110.9 | 81% | 0.811 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -52.4 | -39.2 | -179.8 | -174.7 | 179.8 | 124.9 | 149.1 | -0.8 | 112.4 | H74 R75 | R72-H74 PolarHBondContact O-N 3.05Å; R72-R75 WeakPolarHBondContact O-CB 3.45Å; R72-R75 PolarHBondContact O-N 3.28Å; R72-R75 VanDerWaalsContact O-N 3.17Å |
| 73 | R | 96.1 | Very high | 95 | Very high | 131 Ų | 131 | 110.6 Ų | 110.6 | 49% | 0.494 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -58.9 | -29 | 177.3 | 73.1 | -173.7 | 177.8 | -165.2 | -0.9 | 113.6 | W57 H71 R75 V76 | W57-R73 HydrophobicContact CB-CG 4.4Å; W57-R73 HydrophobicContact CG-CB 4.3Å; W57-R73 HydrophobicContact CG-CG 4.16Å; H71-R73 HydrophobicContact CB-CG 4.29Å; H71-R73 PolarHBondContact O-N 2.89Å; H71-R73 VanDerWaalsContact O-N 3.14Å; R73-R75 PolarHBondContact O-N 3.34Å; R73-V76 PolarHBondContact O-N 2.98Å |
| 74 | H | 96.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 113.9 Ų | 113.9 | 1% | 0.014 | 54% | 0.537 | C | S | . | . | G | 310 helix | trans | -75.7 | -2.2 | -179.5 | -54 | 157.2 | 0 | 0 | 0 | 113.8 | R55 V59 L70 H71 R72 V76 | R55-H74 WeakPolarHBondContact CD-O 3.41Å; R55-H74 PolarHBondContact NE-O 2.93Å; V59-H74 HydrophobicContact CG2-CB 4.3Å; L70-H74 HydrophobicContact CD2-CB 4.29Å; H71-H74 PolarHBondContact N-ND1 3.23Å; H71-H74 VanDerWaalsContact N-ND1 3.15Å; H71-H74 WeakPolarHBondContact O-CB 3.38Å; H71-H74 PolarHBondContact O-N 3.4Å; R72-H74 PolarHBondContact O-N 3.05Å; H74-V76 VanDerWaalsContact C-N 3.33Å |
| 75 | R | 95.6 | Very high | 94.7 | Very high | 195 Ų | 195 | 111.4 Ų | 111.4 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -88.4 | -0.2 | 173.2 | -61.2 | -175.7 | 179.6 | -177.3 | -0.3 | 113 | R72 R73 Y77 | R72-R75 WeakPolarHBondContact O-CB 3.45Å; R72-R75 PolarHBondContact O-N 3.28Å; R72-R75 VanDerWaalsContact O-N 3.17Å; R73-R75 PolarHBondContact O-N 3.34Å; R75-Y77 VanDerWaalsContact O-CD2 3.32Å; R75-Y77 WeakPolarHBondContact O-CD2 3.5Å; R75-Y77 VanDerWaalsContact O-CE2 3.32Å; R75-Y77 WeakPolarHBondContact O-CE2 3.41Å |
| 76 | V | 96.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 112.4 Ų | 112.4 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | trans | -85.3 | 122.7 | 172.3 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | W56 R73 H74 | W56-V76 HydrophobicContact CB-CB 4.24Å; W56-V76 HydrophobicContact CB-CG1 3.96Å; W56-V76 HydrophobicContact CG-CG1 4.48Å; W56-V76 PolarHBondContact N-O 3.13Å; R73-V76 PolarHBondContact O-N 2.98Å; H74-V76 VanDerWaalsContact C-N 3.33Å | ||
| 77 | Y | 97.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 108.5 Ų | 108.5 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146.2 | -176.3 | -59.1 | -67.5 | 0 | 0 | 0 | 111.6 | V53 E54 R55 R75 | V53-Y77 HydrophobicContact CB-CG 4.43Å; V53-Y77 HydrophobicContact CG2-CD1 3.86Å; V53-Y77 HydrophobicContact CG2-CE1 4.49Å; V53-Y77 HydrophobicContact CG2-CG 4.01Å; E54-Y77 CarbonylContact O-C 3.55Å; E54-Y77 VanDerWaalsContact O-CA 3.28Å; E54-Y77 WeakPolarHBondContact O-CA 3.3Å; R55-Y77 HydrophobicContact CG-CD1 3.86Å; R55-Y77 HydrophobicContact CG-CE1 3.61Å; R75-Y77 VanDerWaalsContact O-CD2 3.32Å; R75-Y77 WeakPolarHBondContact O-CD2 3.5Å; R75-Y77 VanDerWaalsContact O-CE2 3.32Å; R75-Y77 WeakPolarHBondContact O-CE2 3.41Å |
| 78 | K | 96.4 | Very high | 94.2 | Very high | 113 Ų | 113 | 107.7 Ų | 107.7 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.9 | 167.6 | -169.7 | -179.9 | 176 | -176.3 | 0 | 108.3 | V53 E54 W56 V80 | V53-K78 CarbonylContact C-O 3.56Å; V53-K78 WeakPolarHBondContact CA-O 3.46Å; E54-K78 PolarHBondContact N-O 3.44Å; E54-K78 PolarHBondContact O-N 3.21Å; W56-K78 HydrophobicContact CE3-CB 3.84Å; W56-K78 HydrophobicContact CE3-CD 4.17Å; W56-K78 HydrophobicContact CE3-CG 4.18Å; W56-K78 HydrophobicContact CZ3-CB 4.07Å; W56-K78 HydrophobicContact CZ3-CD 3.71Å; W56-K78 HydrophobicContact CZ3-CG 3.87Å; K78-V80 PolarHBondContact O-N 3.31Å |
| 79 | L | 96.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 123.7 | 170.6 | 179.1 | 63.9 | 0 | 0 | 0 | 109.1 | V51 | V51-L79 HydrophobicContact CG1-CD1 3.29Å |
| 80 | V | 96.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 106.8 Ų | 106.8 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -55.7 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 109 | I52 E54 K78 | I52-V80 HydrophobicContact CG2-CB 4.33Å; I52-V80 WeakPolarHBondContact O-CB 3.46Å; I52-V80 PolarHBondContact O-N 2.98Å; E54-V80 HydrophobicContact CB-CG2 3.5Å; K78-V80 PolarHBondContact O-N 3.31Å |
| 81 | E | 95.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 104 Ų | 104 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 145.2 | -174.5 | -170 | 174.6 | -179.5 | 0 | 0 | 111.7 | I52 R86 | I52-E81 HydrophobicContact CB-CB 4.46Å; I52-E81 PolarHBondContact N-O 3.47Å; I52-E81 PolarHBondContact O-N 2.96Å; E81-R86 VanDerWaalsContact CD-NE 3.29Å; E81-R86 WeakPolarHBondContact OE1-CG 3.5Å; E81-R86 IonicContact OE1-CZ 2.88Å; E81-R86 IonicContact OE1-NE 3.47Å; E81-R86 PolarHBondContact OE1-NE 3.11Å; E81-R86 IonicContact OE1-NH2 3.64Å; E81-R86 PolarHBondContact OE1-NH2 3.12Å; E81-R86 IonicContact OE2-CZ 2.67Å; E81-R86 IonicContact OE2-NE 3.33Å; E81-R86 IonicContact OE2-NH2 3.25Å; E81-R86 PolarHBondContact OE2-NH2 3.28Å |
| 82 | D | 93.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 103.4 Ų | 103.4 | 12% | 0.123 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.8 | 170.6 | -169.8 | -20.6 | 0 | 0 | 0 | 109.7 | K84 H85 | D82-K84 PolarHBondContact O-N 3.2Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 WeakPolarHBondContact OD1-CD 3.44Å; D82-K84 VanDerWaalsContact OD1-CG 3.28Å; D82-K84 WeakPolarHBondContact OD1-CG 3.48Å; D82-K84 PolarHBondContact OD1-N 3.44Å; D82-K84 VanDerWaalsContact OD1-N 3.15Å; D82-K84 WeakPolarHBondContact OD2-CD 3.44Å; D82-K84 WeakPolarHBondContact OD2-CE 3.42Å; D82-K84 IonicContact OD2-NZ 2.69Å; D82-K84 PolarHBondContact OD2-NZ 3.01Å; D82-H85 PolarHBondContact O-N 2.82Å |
| 83 | T | 91 | Very high | 94.6 | Very high | 34 Ų | 34 | 93.2 Ų | 93.2 | 21% | 0.209 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -60.6 | -21 | -176.3 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | T50 I52 H85 R86 | T50-T83 WeakPolarHBondContact CA-OG1 3.39Å; T50-T83 WeakPolarHBondContact CB-OG1 3.48Å; T50-T83 PolarHBondContact N-OG1 3.48Å; T50-T83 WeakPolarHBondContact O-CB 3.5Å; T50-T83 WeakPolarHBondContact O-CG2 3.36Å; T50-T83 PolarHBondContact O-N 3.22Å; T50-T83 PolarHBondContact O-OG1 3.38Å; I52-T83 HydrophobicContact CD1-CG2 4.33Å; T83-H85 PolarHBondContact O-N 3.43Å; T83-R86 WeakPolarHBondContact O-CB 3.35Å; T83-R86 PolarHBondContact O-N 2.95Å |
| 84 | K | 88.7 | Confident | 94.7 | Very high | 116 Ų | 116 | 87.2 Ų | 87.2 | 50% | 0.504 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -65.8 | -24.4 | 179.6 | 80.5 | -166 | -179.9 | -149.9 | 0 | 113.3 | D82 | D82-K84 PolarHBondContact O-N 3.2Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 WeakPolarHBondContact OD1-CD 3.44Å; D82-K84 VanDerWaalsContact OD1-CG 3.28Å; D82-K84 WeakPolarHBondContact OD1-CG 3.48Å; D82-K84 PolarHBondContact OD1-N 3.44Å; D82-K84 VanDerWaalsContact OD1-N 3.15Å; D82-K84 WeakPolarHBondContact OD2-CD 3.44Å; D82-K84 WeakPolarHBondContact OD2-CE 3.42Å; D82-K84 IonicContact OD2-NZ 2.69Å; D82-K84 PolarHBondContact OD2-NZ 3.01Å |
| 85 | H | 90.7 | Very high | 94.8 | Very high | 149 Ų | 149 | 87 Ų | 87 | 69% | 0.69 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -92.4 | -5.9 | -179.9 | -64.4 | -57.5 | 0 | 0 | 0 | 113.2 | D82 T83 | D82-H85 PolarHBondContact O-N 2.82Å; T83-H85 PolarHBondContact O-N 3.43Å |
| 86 | R | 90.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 79.2 Ų | 79.2 | 41% | 0.408 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -66.2 | 146.4 | 174.1 | -68.2 | -179.1 | 177.2 | -179.7 | -2.1 | 110.7 | E81 T83 K88 | E81-R86 VanDerWaalsContact CD-NE 3.29Å; E81-R86 WeakPolarHBondContact OE1-CG 3.5Å; E81-R86 IonicContact OE1-CZ 2.88Å; E81-R86 IonicContact OE1-NE 3.47Å; E81-R86 PolarHBondContact OE1-NE 3.11Å; E81-R86 IonicContact OE1-NH2 3.64Å; E81-R86 PolarHBondContact OE1-NH2 3.12Å; E81-R86 IonicContact OE2-CZ 2.67Å; E81-R86 IonicContact OE2-NE 3.33Å; E81-R86 IonicContact OE2-NH2 3.25Å; E81-R86 PolarHBondContact OE2-NH2 3.28Å; T83-R86 WeakPolarHBondContact O-CB 3.35Å; T83-R86 PolarHBondContact O-N 2.95Å; R86-K88 PolarHBondContact O-N 3.31Å |
| 87 | P | 93.3 | Very high | 94.8 | Very high | 119 Ų | 119 | 81 Ų | 81 | 77% | 0.773 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 139.5 | 170.1 | 26.4 | -33.6 | 0 | 0 | 0 | 109.8 | ||
| 88 | K | 91.1 | Very high | 94.6 | Very high | 179 Ų | 179 | 78 Ų | 78 | 78% | 0.778 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 122.6 | -175.1 | -63.5 | 176.3 | -175.7 | 175.3 | 0 | 109.8 | R86 | R86-K88 PolarHBondContact O-N 3.31Š|
| 89 | D | 93.9 | Very high | 94.5 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 60% | 0.599 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 155.4 | 171.1 | -34.3 | -62.5 | 0 | 0 | 0 | 111.5 | K113 | D89-K113 WeakPolarHBondContact O-CD 3.36Å; D89-K113 WeakPolarHBondContact O-CE 3.3Å; D89-K113 IonicContact OD2-NZ 3.52Å; D89-K113 PolarHBondContact OD2-NZ 2.76Å |
| 90 | N | 96.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 72.8 Ų | 72.8 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 164.5 | 169.2 | -65.5 | -30.7 | 0 | 0 | 0 | 110.9 | S110 V111 | N90-S110 WeakPolarHBondContact CB-OG 3.25Å; N90-V111 CarbonylContact C-O 3.48Å; N90-V111 WeakPolarHBondContact CA-O 3.39Å |
| 91 | L | 96.2 | Very high | 93.9 | Very high | 28 Ų | 28 | 77 Ų | 77 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.8 | 176.8 | -177.4 | 65.9 | 0 | 0 | 0 | 108.5 | L93 V111 K113 L121 Y128 | L91-L93 HydrophobicContact CD2-CD1 4.12Å; L91-L93 HydrophobicContact CD2-CD2 3.98Å; L91-L93 HydrophobicContact CD2-CG 4.1Å; L91-L93 HydrophobicContact CG-CD2 4.09Å; L91-L93 HydrophobicContact CG-CG 4.07Å; L91-V111 PolarHBondContact N-O 2.64Å; L91-V111 PolarHBondContact O-N 3.49Å; L91-K113 HydrophobicContact CB-CG 4Å; L91-L121 HydrophobicContact CD2-CD1 4.43Å; L91-Y128 HydrophobicContact CD1-CE1 4.42Å; L91-Y128 HydrophobicContact CD2-CE1 4.36Å |
| 92 | E | 97.7 | Very high | 93.8 | Very high | 95 Ų | 95 | 75.2 Ų | 75.2 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125 | 172.9 | -65.6 | -178.9 | -175.4 | 0 | 0 | 110.3 | L108 V109 A129 R134 | E92-L108 HydrophobicContact CG-CD2 4.43Å; E92-V109 WeakPolarHBondContact CA-O 3.37Å; E92-A129 HydrophobicContact CB-CB 4.19Å; E92-R134 IonicContact OE2-NH2 3.81Å; E92-R134 PolarHBondContact OE2-NH2 2.88Å |
| 93 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.6 | 177.3 | -63.9 | 177.1 | 0 | 0 | 0 | 109.7 | L91 L108 V109 V111 L120 L121 A126 V127 Y128 | L91-L93 HydrophobicContact CD2-CD1 4.12Å; L91-L93 HydrophobicContact CD2-CD2 3.98Å; L91-L93 HydrophobicContact CD2-CG 4.1Å; L91-L93 HydrophobicContact CG-CD2 4.09Å; L91-L93 HydrophobicContact CG-CG 4.07Å; L93-L108 WeakPolarHBondContact O-CA 3.38Å; L93-V109 HydrophobicContact CB-CG2 4.32Å; L93-V109 PolarHBondContact N-O 3.38Å; L93-V109 PolarHBondContact O-N 2.92Å; L93-V111 HydrophobicContact CD1-CG2 3.98Å; L93-L120 HydrophobicContact CD1-CB 4.27Å; L93-L120 HydrophobicContact CD1-CD1 4.06Å; L93-L121 HydrophobicContact CD1-CG 4.26Å; L93-L121 HydrophobicContact CD2-CD1 4.28Å; L93-L121 HydrophobicContact CD2-CD2 3.99Å; L93-L121 HydrophobicContact CD2-CG 4.32Å; L93-A126 HydrophobicContact CB-CB 4.09Å; L93-A126 HydrophobicContact CD1-CB 4.13Å; L93-V127 WeakPolarHBondContact CA-O 3.3Å; L93-Y128 HydrophobicContact CD2-CD1 3.79Å; L93-Y128 HydrophobicContact CD2-CE1 4.24Å; L93-Y128 HydrophobicContact CD2-CG 4.41Å |
| 94 | I | 97.9 | Very high | 94 | Very high | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.5 | 169.3 | -56.9 | 170.3 | 0 | 0 | 0 | 107.5 | D107 A126 V127 A129 N133 R134 F137 | I94-D107 WeakPolarHBondContact CA-O 3.35Å; I94-A126 CarbonylContact O-C 3.49Å; I94-A126 VanDerWaalsContact O-CA 3.23Å; I94-A126 WeakPolarHBondContact O-CA 3.43Å; I94-A126 WeakPolarHBondContact O-CB 3.47Å; I94-V127 PolarHBondContact N-O 3.14Å; I94-V127 PolarHBondContact O-N 2.82Å; I94-A129 HydrophobicContact CD1-CB 4.36Å; I94-A129 HydrophobicContact CG1-CB 4.08Å; I94-N133 HydrophobicContact CD1-CB 4.29Å; I94-R134 HydrophobicContact CD1-CG 3.96Å; I94-F137 HydrophobicContact CB-CD2 4.27Å; I94-F137 HydrophobicContact CB-CE2 4.3Å; I94-F137 HydrophobicContact CD1-CD2 4Å; I94-F137 HydrophobicContact CG2-CB 4.3Å; I94-F137 HydrophobicContact CG2-CD1 3.98Å; I94-F137 HydrophobicContact CG2-CD2 3.56Å; I94-F137 HydrophobicContact CG2-CE1 4.13Å; I94-F137 HydrophobicContact CG2-CE2 3.75Å; I94-F137 HydrophobicContact CG2-CG 3.69Å; I94-F137 HydrophobicContact CG2-CZ 4.02Å |
| 95 | L | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.9 | -180 | -66.2 | -179.2 | 0 | 0 | 0 | 111.3 | V99 I102 G103 G106 D107 V109 L120 A126 | L95-V99 HydrophobicContact CD2-CG2 4.47Å; L95-I102 HydrophobicContact CD1-CG2 4.09Å; L95-I102 HydrophobicContact CD2-CG2 4.46Å; L95-G103 WeakPolarHBondContact CD1-O 3.26Å; L95-G106 PolarHBondContact O-N 3.35Å; L95-D107 PolarHBondContact N-O 3.42Å; L95-V109 HydrophobicContact CD1-CG1 3.88Å; L95-V109 HydrophobicContact CD1-CG2 4.35Å; L95-V109 HydrophobicContact CD2-CG2 3.93Å; L95-V109 HydrophobicContact CG-CG1 4.11Å; L95-V109 HydrophobicContact CG-CG2 3.86Å; L95-L120 HydrophobicContact CD2-CD1 4.25Å; L95-A126 HydrophobicContact CD2-CB 3.96Å |
| 96 | T | 96.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -86.4 | -30.7 | 172.9 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | R105 L125 | T96-R105 VanDerWaalsContact CG2-NH1 3.31Å; T96-R105 WeakPolarHBondContact O-CD 3.49Å; T96-R105 WeakPolarHBondContact O-CG 3.49Å; T96-R105 PolarHBondContact O-NH1 3.35Å; T96-L125 PolarHBondContact N-O 3.41Å |
| 97 | Q | 95 | Very high | 94.6 | Very high | 110 Ų | 110 | 62.9 Ų | 62.9 | 51% | 0.514 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -126.8 | 156.7 | 179 | -64.9 | -179.3 | -3.2 | 0 | 0 | 109.3 | V99 L125 | Q97-V99 PolarHBondContact O-N 3.44Å; Q97-L125 HydrophobicContact CB-CD2 4.27Å; Q97-L125 PolarHBondContact N-O 3.06Å |
| 98 | S | 94 | Very high | 94.8 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | trans | -66.3 | 132.2 | 168.7 | 41.6 | 0 | 0 | 0 | 0 | 109.5 | E158 | S98-E158 WeakPolarHBondContact CB-OE1 3.49Å; S98-E158 PolarHBondContact OG-OE1 3.02Å | ||
| 99 | V | 94.5 | Very high | 95.1 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -126.8 | 122.6 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | L95 Q97 E101 I102 G103 L120 L125 | L95-V99 HydrophobicContact CD2-CG2 4.47Å; Q97-V99 PolarHBondContact O-N 3.44Å; V99-E101 PolarHBondContact O-N 3.09Å; V99-I102 HydrophobicContact CB-CB 4.32Å; V99-I102 HydrophobicContact CB-CD1 4.43Å; V99-I102 HydrophobicContact CG1-CB 4.4Å; V99-I102 HydrophobicContact CG1-CD1 3.76Å; V99-I102 HydrophobicContact CG1-CG1 4.17Å; V99-I102 PolarHBondContact O-N 3.04Å; V99-I102 VanDerWaalsContact O-N 3.11Å; V99-G103 PolarHBondContact N-O 3.26Å; V99-G103 PolarHBondContact O-N 3.46Å; V99-L120 HydrophobicContact CG1-CD2 4.43Å; V99-L120 HydrophobicContact CG2-CD2 4.33Å; V99-L125 HydrophobicContact CG2-CB 4.13Å; V99-L125 HydrophobicContact CG2-CD1 4.07Å |
| 100 | D | 89.8 | Confident | 95.2 | Very high | 101 Ų | 101 | 51.9 Ų | 51.9 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.5 | 129 | 176.2 | -83.7 | 31.8 | 0 | 0 | 0 | 111.9 | I102 K162 | D100-I102 PolarHBondContact O-N 2.98Å; D100-K162 IonicContact OD2-NZ 3.54Å; D100-K162 PolarHBondContact OD2-NZ 3.18Å |
| 101 | E | 89.3 | Confident | 95.2 | Very high | 170 Ų | 170 | 48.5 Ų | 48.5 | 79% | 0.794 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -26 | 178.4 | -54.1 | 175.4 | 175.9 | 0 | 0 | 116 | V99 K155 | V99-E101 PolarHBondContact O-N 3.09Å; E101-K155 VanDerWaalsContact O-CE 3.26Å; E101-K155 WeakPolarHBondContact O-CE 3.44Å; E101-K155 PolarHBondContact O-NZ 3.11Å |
| 102 | I | 92.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -62.1 | -177.2 | -54.8 | -178.6 | 0 | 0 | 0 | 110.1 | L95 V99 D100 V109 V111 L120 K155 | L95-I102 HydrophobicContact CD1-CG2 4.09Å; L95-I102 HydrophobicContact CD2-CG2 4.46Å; V99-I102 HydrophobicContact CB-CB 4.32Å; V99-I102 HydrophobicContact CB-CD1 4.43Å; V99-I102 HydrophobicContact CG1-CB 4.4Å; V99-I102 HydrophobicContact CG1-CD1 3.76Å; V99-I102 HydrophobicContact CG1-CG1 4.17Å; V99-I102 PolarHBondContact O-N 3.04Å; V99-I102 VanDerWaalsContact O-N 3.11Å; D100-I102 PolarHBondContact O-N 2.98Å; I102-V109 HydrophobicContact CG2-CB 4.23Å; I102-V109 HydrophobicContact CG2-CG1 4.17Å; I102-V109 HydrophobicContact CG2-CG2 4.14Å; I102-V111 HydrophobicContact CG2-CG1 4.04Å; I102-L120 HydrophobicContact CD1-CD1 4.28Å; I102-L120 HydrophobicContact CD1-CD2 3.94Å; I102-K155 PolarHBondContact O-NZ 2.95Å |
| 103 | G | 94.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | 170.8 | -176.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L95 V99 | L95-G103 WeakPolarHBondContact CD1-O 3.26Å; V99-G103 PolarHBondContact N-O 3.26Å; V99-G103 PolarHBondContact O-N 3.46Å |
| 104 | V | 94.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | trans | -100.5 | 160.5 | -176.1 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | G106 D107 I152 Q153 K155 | V104-G106 PolarHBondContact O-N 3.2Å; V104-D107 PolarHBondContact N-OD2 3.14Å; V104-D107 VanDerWaalsContact O-CB 3.3Å; V104-D107 WeakPolarHBondContact O-CB 3.27Å; V104-D107 PolarHBondContact O-N 3.3Å; V104-I152 HydrophobicContact CG1-CB 4.31Å; V104-I152 HydrophobicContact CG1-CG2 3.34Å; V104-Q153 VanDerWaalsContact CG1-O 3.27Å; V104-Q153 WeakPolarHBondContact CG1-O 3.44Å; V104-Q153 WeakPolarHBondContact CG2-O 3.42Å; V104-K155 HydrophobicContact CG2-CB 4.05Å; V104-K155 VanDerWaalsContact CG2-N 3.3Å | ||
| 105 | R | 94.5 | Very high | 94.8 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 129.5 | 170.8 | 171.9 | 173 | 179.2 | 95.8 | 0.5 | 111.7 | T96 D107 E140 I152 | T96-R105 VanDerWaalsContact CG2-NH1 3.31Å; T96-R105 WeakPolarHBondContact O-CD 3.49Å; T96-R105 WeakPolarHBondContact O-CG 3.49Å; T96-R105 PolarHBondContact O-NH1 3.35Å; R105-D107 VanDerWaalsContact C-N 3.33Å; R105-E140 IonicContact CZ-OE1 3.36Å; R105-E140 IonicContact NE-OE1 2.66Å; R105-E140 PolarHBondContact NE-OE1 2.9Å; R105-E140 IonicContact NE-OE2 3.32Å; R105-E140 IonicContact NH2-OE1 3.28Å; R105-E140 PolarHBondContact NH2-OE1 3.46Å; R105-E140 IonicContact NH2-OE2 3.44Å; R105-I152 HydrophobicContact CB-CD1 3.95Å; R105-I152 HydrophobicContact CG-CD1 4.03Å |
| 106 | G | 95 | Very high | 94.7 | Very high | 22 Ų | 22 | 59.1 Ų | 59.1 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -5.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L95 V104 | L95-G106 PolarHBondContact O-N 3.35Å; V104-G106 PolarHBondContact O-N 3.2Å |
| 107 | D | 95.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | trans | -74.8 | 139.8 | 177.1 | -71.3 | -19.1 | 0 | 0 | 0 | 111.4 | I94 L95 V104 R105 V109 | I94-D107 WeakPolarHBondContact CA-O 3.35Å; L95-D107 PolarHBondContact N-O 3.42Å; V104-D107 PolarHBondContact N-OD2 3.14Å; V104-D107 VanDerWaalsContact O-CB 3.3Å; V104-D107 WeakPolarHBondContact O-CB 3.27Å; V104-D107 PolarHBondContact O-N 3.3Å; R105-D107 VanDerWaalsContact C-N 3.33Å; D107-V109 HydrophobicContact CB-CG1 4.22Å | ||
| 108 | L | 96.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 117 | 168.3 | -170.9 | 155.9 | 0 | 0 | 0 | 108.7 | E92 L93 | E92-L108 HydrophobicContact CG-CD2 4.43Å; L93-L108 WeakPolarHBondContact O-CA 3.38Å |
| 109 | V | 96.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.8 | -175.3 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | E92 L93 L95 I102 D107 V111 | E92-V109 WeakPolarHBondContact CA-O 3.37Å; L93-V109 HydrophobicContact CB-CG2 4.32Å; L93-V109 PolarHBondContact N-O 3.38Å; L93-V109 PolarHBondContact O-N 2.92Å; L95-V109 HydrophobicContact CD1-CG1 3.88Å; L95-V109 HydrophobicContact CD1-CG2 4.35Å; L95-V109 HydrophobicContact CD2-CG2 3.93Å; L95-V109 HydrophobicContact CG-CG1 4.11Å; L95-V109 HydrophobicContact CG-CG2 3.86Å; I102-V109 HydrophobicContact CG2-CB 4.23Å; I102-V109 HydrophobicContact CG2-CG1 4.17Å; I102-V109 HydrophobicContact CG2-CG2 4.14Å; D107-V109 HydrophobicContact CB-CG1 4.22Å; V109-V111 HydrophobicContact CB-CG1 4.29Å; V109-V111 HydrophobicContact CG2-CG1 4.03Å |
| 110 | S | 97.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 102.8 | 174.1 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | N90 | N90-S110 WeakPolarHBondContact CB-OG 3.25Å |
| 111 | V | 96.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 11% | 0.109 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 159.3 | -174.1 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | N90 L91 L93 I102 V109 K113 L120 | N90-V111 CarbonylContact C-O 3.48Å; N90-V111 WeakPolarHBondContact CA-O 3.39Å; L91-V111 PolarHBondContact N-O 2.64Å; L91-V111 PolarHBondContact O-N 3.49Å; L93-V111 HydrophobicContact CD1-CG2 3.98Å; I102-V111 HydrophobicContact CG2-CG1 4.04Å; V109-V111 HydrophobicContact CB-CG1 4.29Å; V109-V111 HydrophobicContact CG2-CG1 4.03Å; V111-K113 PolarHBondContact O-N 3.31Å; V111-L120 HydrophobicContact CG1-CD1 4.31Å; V111-L120 HydrophobicContact CG2-CD1 4.14Å |
| 112 | K | 96.2 | Very high | 95.4 | Very high | 155 Ų | 155 | 58 Ų | 58 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 136.6 | 171 | -68.5 | -179.9 | 179.6 | 174.7 | 0 | 110 | S114 V115 G116 | K112-S114 PolarHBondContact O-N 3.43Å; K112-V115 HydrophobicContact CB-CG2 4.47Å; K112-V115 PolarHBondContact O-N 2.81Å; K112-G116 PolarHBondContact O-N 3.29Å |
| 113 | K | 94.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 62 Ų | 62 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -49.7 | -35.5 | 179.8 | -73.5 | 169.8 | -179.2 | 165.9 | 0 | 113.8 | D89 L91 V111 R117 | D89-K113 WeakPolarHBondContact O-CD 3.36Å; D89-K113 WeakPolarHBondContact O-CE 3.3Å; D89-K113 IonicContact OD2-NZ 3.52Å; D89-K113 PolarHBondContact OD2-NZ 2.76Å; L91-K113 HydrophobicContact CB-CG 4Å; V111-K113 PolarHBondContact O-N 3.31Å; K113-R117 WeakPolarHBondContact O-CB 3.48Å; K113-R117 WeakPolarHBondContact O-CG 3.44Å; K113-R117 PolarHBondContact O-N 3.05Å |
| 114 | S | 93.9 | Very high | 95.6 | Very high | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | K112 G116 R117 N118 | K112-S114 PolarHBondContact O-N 3.43Å; S114-G116 PolarHBondContact O-N 3.04Å; S114-R117 PolarHBondContact O-N 3.42Å; S114-N118 VanDerWaalsContact O-CB 3.26Å; S114-N118 WeakPolarHBondContact O-CB 3.27Å; S114-N118 PolarHBondContact O-N 3.07Å |
| 115 | V | 94.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 35% | 0.352 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | K112 K119 L120 | K112-V115 HydrophobicContact CB-CG2 4.47Å; K112-V115 PolarHBondContact O-N 2.81Å; V115-K119 WeakPolarHBondContact O-CB 3.4Å; V115-K119 PolarHBondContact O-N 2.85Å; V115-K119 VanDerWaalsContact O-N 3.1Å; V115-L120 HydrophobicContact CG1-CG 4.5Å; V115-L120 PolarHBondContact O-N 2.93Å; V115-L120 VanDerWaalsContact O-N 3.11Å |
| 116 | G | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -57.3 | -52 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K112 S114 L120 L121 | K112-G116 PolarHBondContact O-N 3.29Å; S114-G116 PolarHBondContact O-N 3.04Å; G116-L120 PolarHBondContact O-N 3.44Å; G116-L121 WeakPolarHBondContact O-CB 3.16Å; G116-L121 VanDerWaalsContact O-CG 3.28Å; G116-L121 WeakPolarHBondContact O-CG 3.33Å; G116-L121 PolarHBondContact O-N 3.26Å |
| 117 | R | 95.1 | Very high | 96.1 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -76 | -45.3 | -175.7 | -66.4 | 173.7 | -172.8 | 142.7 | -0.7 | 113.5 | K113 S114 L121 S122 | K113-R117 WeakPolarHBondContact O-CB 3.48Å; K113-R117 WeakPolarHBondContact O-CG 3.44Å; K113-R117 PolarHBondContact O-N 3.05Å; S114-R117 PolarHBondContact O-N 3.42Å; R117-L121 HydrophobicContact CG-CD1 4.41Å; R117-S122 PolarHBondContact O-N 3.47Å |
| 118 | N | 94.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 65.6 Ų | 65.6 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -86 | -24.5 | -169.7 | -62.5 | -12.2 | 0 | 0 | 0 | 113.4 | S114 S122 | S114-N118 VanDerWaalsContact O-CB 3.26Å; S114-N118 WeakPolarHBondContact O-CB 3.27Å; S114-N118 PolarHBondContact O-N 3.07Å; N118-S122 PolarHBondContact O-OG 3.21Å |
| 119 | K | 94.9 | Very high | 96.3 | Very high | 95 Ų | 95 | 62 Ų | 62 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -112.8 | -60.3 | 179.9 | -174.1 | -177.8 | 178.7 | -176.9 | 0 | 111.8 | V115 S122 Q123 | V115-K119 WeakPolarHBondContact O-CB 3.4Å; V115-K119 PolarHBondContact O-N 2.85Å; V115-K119 VanDerWaalsContact O-N 3.1Å; K119-S122 PolarHBondContact N-OG 3.16Å; K119-S122 PolarHBondContact O-OG 3.22Å; K119-S122 VanDerWaalsContact O-OG 3.13Å; K119-Q123 WeakPolarHBondContact O-CB 3.4Å; K119-Q123 WeakPolarHBondContact O-CG 3.43Å; K119-Q123 PolarHBondContact O-N 2.88Å; K119-Q123 PolarHBondContact O-OE1 3.37Å |
| 120 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -73.3 | -49.3 | -167.2 | -60.4 | -179.7 | 0 | 0 | 0 | 113.1 | L93 L95 V99 I102 V111 V115 G116 G124 L125 A126 | L93-L120 HydrophobicContact CD1-CB 4.27Å; L93-L120 HydrophobicContact CD1-CD1 4.06Å; L95-L120 HydrophobicContact CD2-CD1 4.25Å; V99-L120 HydrophobicContact CG1-CD2 4.43Å; V99-L120 HydrophobicContact CG2-CD2 4.33Å; I102-L120 HydrophobicContact CD1-CD1 4.28Å; I102-L120 HydrophobicContact CD1-CD2 3.94Å; V111-L120 HydrophobicContact CG1-CD1 4.31Å; V111-L120 HydrophobicContact CG2-CD1 4.14Å; V115-L120 HydrophobicContact CG1-CG 4.5Å; V115-L120 PolarHBondContact O-N 2.93Å; V115-L120 VanDerWaalsContact O-N 3.11Å; G116-L120 PolarHBondContact O-N 3.44Å; L120-G124 PolarHBondContact O-N 3.34Å; L120-L125 HydrophobicContact CD2-CB 4.18Å; L120-L125 HydrophobicContact CD2-CD1 4.25Å; L120-L125 PolarHBondContact O-N 3.07Å; L120-A126 HydrophobicContact CB-CB 3.79Å; L120-A126 HydrophobicContact CD1-CB 4.44Å; L120-A126 PolarHBondContact O-N 3.13Å |
| 121 | L | 96.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 64.1 Ų | 64.1 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -74.7 | -40.1 | -179.3 | -68.1 | 171.6 | 0 | 0 | 0 | 111.8 | L91 L93 G116 R117 Q123 G124 A126 Y128 | L91-L121 HydrophobicContact CD2-CD1 4.43Å; L93-L121 HydrophobicContact CD1-CG 4.26Å; L93-L121 HydrophobicContact CD2-CD1 4.28Å; L93-L121 HydrophobicContact CD2-CD2 3.99Å; L93-L121 HydrophobicContact CD2-CG 4.32Å; G116-L121 WeakPolarHBondContact O-CB 3.16Å; G116-L121 VanDerWaalsContact O-CG 3.28Å; G116-L121 WeakPolarHBondContact O-CG 3.33Å; G116-L121 PolarHBondContact O-N 3.26Å; R117-L121 HydrophobicContact CG-CD1 4.41Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.18Å; L121-G124 PolarHBondContact O-N 2.9Å; L121-A126 WeakPolarHBondContact CD2-O 3.26Å; L121-Y128 HydrophobicContact CD1-CE1 3.71Å; L121-Y128 HydrophobicContact CD1-CE2 4.06Å; L121-Y128 VanDerWaalsContact CD1-CZ 3.44Å; L121-Y128 WeakPolarHBondContact CD1-OH 3.34Å; L121-Y128 HydrophobicContact CD2-CD2 4.41Å; L121-Y128 HydrophobicContact CD2-CE2 4.26Å |
| 122 | S | 95.6 | Very high | 96.4 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -36.1 | 178.6 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | R117 N118 K119 | R117-S122 PolarHBondContact O-N 3.47Å; N118-S122 PolarHBondContact O-OG 3.21Å; K119-S122 PolarHBondContact N-OG 3.16Å; K119-S122 PolarHBondContact O-OG 3.22Å; K119-S122 VanDerWaalsContact O-OG 3.13Å |
| 123 | Q | 96.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.3 | 178.4 | -62.5 | 176.8 | -23.7 | 0 | 0 | 113.1 | K119 L121 L125 | K119-Q123 WeakPolarHBondContact O-CB 3.4Å; K119-Q123 WeakPolarHBondContact O-CG 3.43Å; K119-Q123 PolarHBondContact O-N 2.88Å; K119-Q123 PolarHBondContact O-OE1 3.37Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.18Å; Q123-L125 HydrophobicContact CB-CD1 4.11Å; Q123-L125 HydrophobicContact CB-CG 3.86Å; Q123-L125 PolarHBondContact O-N 3.41Å; Q123-L125 VanDerWaalsContact OE1-CD1 3.24Å |
| 124 | G | 96.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L120 L121 A126 | L120-G124 PolarHBondContact O-N 3.34Å; L121-G124 PolarHBondContact O-N 2.9Å; G124-A126 VanDerWaalsContact C-N 3.26Å; G124-A126 PolarHBondContact O-N 2.99Å |
| 125 | L | 97.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -75 | -16.6 | 178.6 | -60 | 176.8 | 0 | 0 | 0 | 112.8 | T96 Q97 V99 L120 Q123 | T96-L125 PolarHBondContact N-O 3.41Å; Q97-L125 HydrophobicContact CB-CD2 4.27Å; Q97-L125 PolarHBondContact N-O 3.06Å; V99-L125 HydrophobicContact CG2-CB 4.13Å; V99-L125 HydrophobicContact CG2-CD1 4.07Å; L120-L125 HydrophobicContact CD2-CB 4.18Å; L120-L125 HydrophobicContact CD2-CD1 4.25Å; L120-L125 PolarHBondContact O-N 3.07Å; Q123-L125 HydrophobicContact CB-CD1 4.11Å; Q123-L125 HydrophobicContact CB-CG 3.86Å; Q123-L125 PolarHBondContact O-N 3.41Å; Q123-L125 VanDerWaalsContact OE1-CD1 3.24Å |
| 126 | A | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 70.8 Ų | 70.8 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 161.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L93 I94 L95 L120 L121 G124 | L93-A126 HydrophobicContact CB-CB 4.09Å; L93-A126 HydrophobicContact CD1-CB 4.13Å; I94-A126 CarbonylContact O-C 3.49Å; I94-A126 VanDerWaalsContact O-CA 3.23Å; I94-A126 WeakPolarHBondContact O-CA 3.43Å; I94-A126 WeakPolarHBondContact O-CB 3.47Å; L95-A126 HydrophobicContact CD2-CB 3.96Å; L120-A126 HydrophobicContact CB-CB 3.79Å; L120-A126 HydrophobicContact CD1-CB 4.44Å; L120-A126 PolarHBondContact O-N 3.13Å; L121-A126 WeakPolarHBondContact CD2-O 3.26Å; G124-A126 VanDerWaalsContact C-N 3.26Å; G124-A126 PolarHBondContact O-N 2.99Å |
| 127 | V | 98 | Very high | 96.9 | Very high | 50 Ų | 50 | 72.2 Ų | 72.2 | 30% | 0.303 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.8 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 109 | L93 I94 N133 | L93-V127 WeakPolarHBondContact CA-O 3.3Å; I94-V127 PolarHBondContact N-O 3.14Å; I94-V127 PolarHBondContact O-N 2.82Å; V127-N133 WeakPolarHBondContact CG1-ND2 3.22Å |
| 128 | Y | 98.1 | Very high | 96.9 | Very high | 125 Ų | 125 | 71.5 Ų | 71.5 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 140.1 | 173 | -71 | -70.4 | 0 | 0 | 0 | 111.9 | L91 L93 L121 S130 N133 | L91-Y128 HydrophobicContact CD1-CE1 4.42Å; L91-Y128 HydrophobicContact CD2-CE1 4.36Å; L93-Y128 HydrophobicContact CD2-CD1 3.79Å; L93-Y128 HydrophobicContact CD2-CE1 4.24Å; L93-Y128 HydrophobicContact CD2-CG 4.41Å; L121-Y128 HydrophobicContact CD1-CE1 3.71Å; L121-Y128 HydrophobicContact CD1-CE2 4.06Å; L121-Y128 VanDerWaalsContact CD1-CZ 3.44Å; L121-Y128 WeakPolarHBondContact CD1-OH 3.34Å; L121-Y128 HydrophobicContact CD2-CD2 4.41Å; L121-Y128 HydrophobicContact CD2-CE2 4.26Å; Y128-S130 PolarHBondContact O-N 3.2Å; Y128-N133 PolarHBondContact O-ND2 2.8Å |
| 129 | A | 97.6 | Very high | 97 | Very high | 17 Ų | 17 | 71.6 Ų | 71.6 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | trans | -76.9 | 52.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E92 I94 R134 | E92-A129 HydrophobicContact CB-CB 4.19Å; I94-A129 HydrophobicContact CD1-CB 4.36Å; I94-A129 HydrophobicContact CG1-CB 4.08Å; A129-R134 PolarHBondContact O-NE 2.88Å; A129-R134 PolarHBondContact O-NH2 2.8Å | ||
| 130 | S | 97.8 | Very high | 97 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | trans | -67.1 | 155.8 | 173.4 | 75.2 | 0 | 0 | 0 | 0 | 111 | Y128 E132 N133 R134 | Y128-S130 PolarHBondContact O-N 3.2Å; S130-E132 PolarHBondContact O-N 3.06Å; S130-N133 PolarHBondContact O-N 3Å; S130-N133 WeakPolarHBondContact OG-CB 3.15Å; S130-N133 PolarHBondContact OG-N 3.23Å; S130-N133 VanDerWaalsContact OG-N 3.16Å; S130-N133 PolarHBondContact OG-ND2 2.98Å; S130-R134 WeakPolarHBondContact O-CG 3.42Å; S130-R134 PolarHBondContact O-N 2.81Å | ||
| 131 | P | 98 | Very high | 96.8 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.7 | -32.1 | 179.1 | 24.3 | -34.5 | 0 | 0 | 0 | 112.8 | K135 | P131-K135 WeakPolarHBondContact O-CG 3.35Å; P131-K135 PolarHBondContact O-N 2.79Å |
| 132 | E | 97.8 | Very high | 96.7 | Very high | 145 Ų | 145 | 74.3 Ų | 74.3 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.5 | -49.3 | 175.1 | -64.7 | 171.9 | -174.8 | 0 | 0 | 111.2 | S130 R134 K135 L136 | S130-E132 PolarHBondContact O-N 3.06Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 2.84Å; E132-K135 PolarHBondContact O-N 2.75Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 3.13Å; E132-L136 VanDerWaalsContact O-N 3.16Å |
| 133 | N | 97.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 74 Ų | 74 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 179.6 | -67.7 | -26.7 | 0 | 0 | 0 | 111.8 | I94 V127 Y128 S130 K135 L136 F137 | I94-N133 HydrophobicContact CD1-CB 4.29Å; V127-N133 WeakPolarHBondContact CG1-ND2 3.22Å; Y128-N133 PolarHBondContact O-ND2 2.8Å; S130-N133 PolarHBondContact O-N 3Å; S130-N133 WeakPolarHBondContact OG-CB 3.15Å; S130-N133 PolarHBondContact OG-N 3.23Å; S130-N133 VanDerWaalsContact OG-N 3.16Å; S130-N133 PolarHBondContact OG-ND2 2.98Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 PolarHBondContact O-N 2.89Å; N133-L136 PolarHBondContact O-N 2.83Å; N133-F137 VanDerWaalsContact O-CD2 3.28Å; N133-F137 WeakPolarHBondContact O-CD2 3.43Å; N133-F137 PolarHBondContact O-N 3.01Å |
| 134 | R | 97.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 70.1 Ų | 70.1 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.2 | -47.4 | 175.2 | -73 | 176.3 | -169.6 | -143.6 | -5.9 | 111.1 | E92 I94 A129 S130 E132 L136 F137 E138 | E92-R134 IonicContact OE2-NH2 3.81Å; E92-R134 PolarHBondContact OE2-NH2 2.88Å; I94-R134 HydrophobicContact CD1-CG 3.96Å; A129-R134 PolarHBondContact O-NE 2.88Å; A129-R134 PolarHBondContact O-NH2 2.8Å; S130-R134 WeakPolarHBondContact O-CG 3.42Å; S130-R134 PolarHBondContact O-N 2.81Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 2.84Å; R134-L136 PolarHBondContact O-N 3.45Å; R134-F137 PolarHBondContact O-N 3.36Å; R134-E138 WeakPolarHBondContact O-CB 3.47Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 2.77Å |
| 135 | K | 97.6 | Very high | 96.3 | Very high | 131 Ų | 131 | 77.1 Ų | 77.1 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.3 | -47.3 | 176.8 | -70.1 | 175.8 | 178.7 | -174.8 | 0 | 112.2 | P131 E132 N133 F137 E138 E139 | P131-K135 WeakPolarHBondContact O-CG 3.35Å; P131-K135 PolarHBondContact O-N 2.79Å; E132-K135 PolarHBondContact O-N 2.75Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 PolarHBondContact O-N 2.89Å; K135-F137 PolarHBondContact O-N 3.07Å; K135-E138 PolarHBondContact O-N 3.1Å; K135-E139 WeakPolarHBondContact O-CG 3.34Å; K135-E139 PolarHBondContact O-N 2.81Å |
| 136 | L | 96.4 | Very high | 96.1 | Very high | 106 Ų | 106 | 81.7 Ų | 81.7 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.8 | -45.3 | 179.2 | -65 | 175.5 | 0 | 0 | 0 | 112.3 | E132 N133 R134 E140 | E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 3.13Å; E132-L136 VanDerWaalsContact O-N 3.16Å; N133-L136 PolarHBondContact O-N 2.83Å; R134-L136 PolarHBondContact O-N 3.45Å; L136-E140 WeakPolarHBondContact O-CB 3.46Å; L136-E140 PolarHBondContact O-N 2.69Å |
| 137 | F | 96.2 | Very high | 95.8 | Very high | 30 Ų | 30 | 83.9 Ų | 83.9 | 13% | 0.132 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -74.3 | -28.5 | 179 | -79.8 | -78 | 0 | 0 | 0 | 113 | I94 N133 R134 K135 E140 K141 | I94-F137 HydrophobicContact CB-CD2 4.27Å; I94-F137 HydrophobicContact CB-CE2 4.3Å; I94-F137 HydrophobicContact CD1-CD2 4Å; I94-F137 HydrophobicContact CG2-CB 4.3Å; I94-F137 HydrophobicContact CG2-CD1 3.98Å; I94-F137 HydrophobicContact CG2-CD2 3.56Å; I94-F137 HydrophobicContact CG2-CE1 4.13Å; I94-F137 HydrophobicContact CG2-CE2 3.75Å; I94-F137 HydrophobicContact CG2-CG 3.69Å; I94-F137 HydrophobicContact CG2-CZ 4.02Å; N133-F137 VanDerWaalsContact O-CD2 3.28Å; N133-F137 WeakPolarHBondContact O-CD2 3.43Å; N133-F137 PolarHBondContact O-N 3.01Å; R134-F137 PolarHBondContact O-N 3.36Å; K135-F137 PolarHBondContact O-N 3.07Å; F137-E140 WeakPolarHBondContact CD1-OE2 3.38Å; F137-K141 WeakPolarHBondContact O-CB 3.38Å; F137-K141 PolarHBondContact O-N 3.22Å |
| 138 | E | 96.1 | Very high | 95.5 | Very high | 116 Ų | 116 | 88.5 Ų | 88.5 | 54% | 0.542 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 172.5 | -77.6 | 168.3 | -166 | 0 | 0 | 112.1 | R134 K135 K141 S142 | R134-E138 WeakPolarHBondContact O-CB 3.47Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 2.77Å; K135-E138 PolarHBondContact O-N 3.1Å; E138-K141 PolarHBondContact O-N 2.81Å; E138-S142 WeakPolarHBondContact O-CB 3.29Å; E138-S142 PolarHBondContact O-N 2.94Å; E138-S142 PolarHBondContact O-OG 3.44Å |
| 139 | E | 96 | Very high | 95.2 | Very high | 120 Ų | 120 | 85.9 Ų | 85.9 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 171.8 | -73 | 172.4 | -166.9 | 0 | 0 | 110.4 | K135 K141 S142 L143 | K135-E139 WeakPolarHBondContact O-CG 3.34Å; K135-E139 PolarHBondContact O-N 2.81Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 2.8Å; E139-S142 WeakPolarHBondContact O-CA 3.48Å; E139-S142 WeakPolarHBondContact O-CB 3.48Å; E139-S142 PolarHBondContact O-N 3.48Å; E139-L143 WeakPolarHBondContact O-CG 3.31Å; E139-L143 PolarHBondContact O-N 3.43Å |
| 140 | E | 94.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 93.5 Ų | 93.5 | 17% | 0.168 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 177.4 | -164.2 | -166.1 | -161.1 | 0 | 0 | 112.2 | R105 L136 F137 S142 L143 R144 L149 | R105-E140 IonicContact CZ-OE1 3.36Å; R105-E140 IonicContact NE-OE1 2.66Å; R105-E140 PolarHBondContact NE-OE1 2.9Å; R105-E140 IonicContact NE-OE2 3.32Å; R105-E140 IonicContact NH2-OE1 3.28Å; R105-E140 PolarHBondContact NH2-OE1 3.46Å; R105-E140 IonicContact NH2-OE2 3.44Å; L136-E140 WeakPolarHBondContact O-CB 3.46Å; L136-E140 PolarHBondContact O-N 2.69Å; F137-E140 WeakPolarHBondContact CD1-OE2 3.38Å; E140-S142 VanDerWaalsContact C-N 3.28Å; E140-S142 PolarHBondContact O-N 3.34Å; E140-L143 PolarHBondContact O-N 2.84Å; E140-R144 VanDerWaalsContact CD-CZ 3.45Å; E140-R144 PolarHBondContact O-N 3.41Å; E140-R144 IonicContact OE1-CZ 3.58Å; E140-R144 IonicContact OE1-NH1 2.83Å; E140-R144 IonicContact OE1-NH2 3.62Å; E140-R144 PolarHBondContact OE1-NH2 3.47Å; E140-R144 IonicContact OE2-CZ 2.72Å; E140-R144 IonicContact OE2-NH1 2.69Å; E140-R144 PolarHBondContact OE2-NH1 3.33Å; E140-R144 IonicContact OE2-NH2 3.54Å; E140-R144 PolarHBondContact OE2-NH2 3.24Å; E140-L149 HydrophobicContact CG-CD1 3.84Å |
| 141 | K | 93.3 | Very high | 94.5 | Very high | 120 Ų | 120 | 99.4 Ų | 99.4 | 52% | 0.522 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -34 | 175.3 | -173.3 | 173.9 | -174.4 | 171.1 | 0 | 111.9 | F137 E138 E139 R145 | F137-K141 WeakPolarHBondContact O-CB 3.38Å; F137-K141 PolarHBondContact O-N 3.22Å; E138-K141 PolarHBondContact O-N 2.81Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 2.8Å; K141-R145 WeakPolarHBondContact O-CG 3.27Å; K141-R145 PolarHBondContact O-N 3.17Å |
| 142 | S | 94.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 97.8 Ų | 97.8 | 25% | 0.252 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.4 | -44.7 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | E138 E139 E140 R144 R145 E146 | E138-S142 WeakPolarHBondContact O-CB 3.29Å; E138-S142 PolarHBondContact O-N 2.94Å; E138-S142 PolarHBondContact O-OG 3.44Å; E139-S142 WeakPolarHBondContact O-CA 3.48Å; E139-S142 WeakPolarHBondContact O-CB 3.48Å; E139-S142 PolarHBondContact O-N 3.48Å; E140-S142 VanDerWaalsContact C-N 3.28Å; E140-S142 PolarHBondContact O-N 3.34Å; S142-R144 VanDerWaalsContact C-N 3.29Å; S142-R144 PolarHBondContact O-N 3.04Å; S142-R145 WeakPolarHBondContact O-CB 3.35Å; S142-R145 PolarHBondContact O-N 3.34Å; S142-R145 PolarHBondContact OG-NH2 3.25Å; S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 2.77Å |
| 143 | L | 95.2 | Very high | 93.7 | Very high | 68 Ų | 68 | 91.5 Ų | 91.5 | 36% | 0.356 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | 174.1 | -65.9 | 174.1 | 0 | 0 | 0 | 112.9 | E139 E140 E146 G147 K148 L149 | E139-L143 WeakPolarHBondContact O-CG 3.31Å; E139-L143 PolarHBondContact O-N 3.43Å; E140-L143 PolarHBondContact O-N 2.84Å; L143-E146 PolarHBondContact O-N 3.07Å; L143-G147 PolarHBondContact O-N 3.45Å; L143-K148 HydrophobicContact CD2-CD 3.78Å; L143-K148 PolarHBondContact O-N 2.77Å; L143-K148 VanDerWaalsContact O-N 3.1Å; L143-L149 HydrophobicContact CB-CD1 3.75Å; L143-L149 HydrophobicContact CB-CG 4.1Å; L143-L149 HydrophobicContact CD1-CD1 4.39Å |
| 144 | R | 93 | Very high | 93.5 | Very high | 42 Ų | 42 | 94 Ų | 94 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 172.3 | -76.5 | -177.6 | -175.7 | 105.2 | 10.7 | 113.1 | E140 S142 E146 G147 L149 I152 | E140-R144 VanDerWaalsContact CD-CZ 3.45Å; E140-R144 PolarHBondContact O-N 3.41Å; E140-R144 IonicContact OE1-CZ 3.58Å; E140-R144 IonicContact OE1-NH1 2.83Å; E140-R144 IonicContact OE1-NH2 3.62Å; E140-R144 PolarHBondContact OE1-NH2 3.47Å; E140-R144 IonicContact OE2-CZ 2.72Å; E140-R144 IonicContact OE2-NH1 2.69Å; E140-R144 PolarHBondContact OE2-NH1 3.33Å; E140-R144 IonicContact OE2-NH2 3.54Å; E140-R144 PolarHBondContact OE2-NH2 3.24Å; S142-R144 VanDerWaalsContact C-N 3.29Å; S142-R144 PolarHBondContact O-N 3.04Å; R144-E146 VanDerWaalsContact C-N 3.31Å; R144-G147 PolarHBondContact O-N 3.33Å; R144-G147 VanDerWaalsContact O-N 3.08Å; R144-L149 HydrophobicContact CB-CB 4.46Å; R144-L149 HydrophobicContact CG-CB 3.62Å; R144-L149 HydrophobicContact CG-CD1 4.07Å; R144-L149 HydrophobicContact CG-CG 4.49Å; R144-I152 VanDerWaalsContact CZ-CD1 3.45Å |
| 145 | R | 91.2 | Very high | 93.1 | Very high | 191 Ų | 191 | 94.4 Ų | 94.4 | 72% | 0.721 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.5 | -35.1 | 177.5 | -73.8 | -176.1 | -65.9 | 162.2 | 1.5 | 111.9 | K141 S142 G147 | K141-R145 WeakPolarHBondContact O-CG 3.27Å; K141-R145 PolarHBondContact O-N 3.17Å; S142-R145 WeakPolarHBondContact O-CB 3.35Å; S142-R145 PolarHBondContact O-N 3.34Å; S142-R145 PolarHBondContact OG-NH2 3.25Å; R145-G147 PolarHBondContact O-N 3.38Å |
| 146 | E | 94.5 | Very high | 92.8 | Very high | 119 Ų | 119 | 91.2 Ų | 91.2 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.2 | 172.5 | -68.1 | 174.1 | -166.8 | 0 | 0 | 113.1 | S142 L143 R144 K148 | S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 2.77Å; L143-E146 PolarHBondContact O-N 3.07Å; R144-E146 VanDerWaalsContact C-N 3.31Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 HydrophobicContact CB-CD 4.47Å; E146-K148 HydrophobicContact CB-CG 4.34Å; E146-K148 WeakPolarHBondContact OE2-CD 3.41Å; E146-K148 WeakPolarHBondContact OE2-CE 3.41Å; E146-K148 IonicContact OE2-NZ 2.84Å; E146-K148 PolarHBondContact OE2-NZ 3.41Å |
| 147 | G | 91.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 86.3 Ų | 86.3 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 11.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L143 R144 R145 L149 | L143-G147 PolarHBondContact O-N 3.45Å; R144-G147 PolarHBondContact O-N 3.33Å; R144-G147 VanDerWaalsContact O-N 3.08Å; R145-G147 PolarHBondContact O-N 3.38Å; G147-L149 VanDerWaalsContact C-N 3.28Å |
| 148 | K | 92.7 | Very high | 92.5 | Very high | 147 Ų | 147 | 87.2 Ų | 87.2 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -73.1 | -23.6 | 174.2 | -68.8 | 174.6 | 178.1 | 160.4 | 0 | 112.5 | L143 E146 | L143-K148 HydrophobicContact CD2-CD 3.78Å; L143-K148 PolarHBondContact O-N 2.77Å; L143-K148 VanDerWaalsContact O-N 3.1Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 HydrophobicContact CB-CD 4.47Å; E146-K148 HydrophobicContact CB-CG 4.34Å; E146-K148 WeakPolarHBondContact OE2-CD 3.41Å; E146-K148 WeakPolarHBondContact OE2-CE 3.41Å; E146-K148 IonicContact OE2-NZ 2.84Å; E146-K148 PolarHBondContact OE2-NZ 3.41Å |
| 149 | L | 90.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 84.5 Ų | 84.5 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -118.2 | 156.3 | 178.3 | -67.2 | 176.9 | 0 | 0 | 0 | 110.4 | E140 L143 R144 G147 | E140-L149 HydrophobicContact CG-CD1 3.84Å; L143-L149 HydrophobicContact CB-CD1 3.75Å; L143-L149 HydrophobicContact CB-CG 4.1Å; L143-L149 HydrophobicContact CD1-CD1 4.39Å; R144-L149 HydrophobicContact CB-CB 4.46Å; R144-L149 HydrophobicContact CG-CB 3.62Å; R144-L149 HydrophobicContact CG-CD1 4.07Å; R144-L149 HydrophobicContact CG-CG 4.49Å; G147-L149 VanDerWaalsContact C-N 3.28Å |
| 150 | E | 90.6 | Very high | 92.2 | Very high | 177 Ų | 177 | 81.1 Ų | 81.1 | 83% | 0.827 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 138 | 177.9 | -64.5 | -179.9 | 171.8 | 0 | 0 | 111.7 | I152 | E150-I152 PolarHBondContact O-N 3.11Š|
| 151 | K | 90.7 | Very high | 92.2 | Very high | 158 Ų | 158 | 79.7 Ų | 79.7 | 69% | 0.687 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 127.5 | 175.7 | -67.6 | -179.7 | -177.6 | 176.7 | 0 | 108.7 | L225 | K151-L225 HydrophobicContact CB-CD1 4.04Å; K151-L225 HydrophobicContact CB-CD2 3.92Å; K151-L225 WeakPolarHBondContact O-CD1 3.19Å |
| 152 | I | 90.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 79.3 Ų | 79.3 | 32% | 0.318 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -94 | 146 | 175.2 | -52.8 | -176.6 | 0 | 0 | 0 | 108.4 | V104 R105 R144 E150 | V104-I152 HydrophobicContact CG1-CB 4.31Å; V104-I152 HydrophobicContact CG1-CG2 3.34Å; R105-I152 HydrophobicContact CB-CD1 3.95Å; R105-I152 HydrophobicContact CG-CD1 4.03Å; R144-I152 VanDerWaalsContact CZ-CD1 3.45Å; E150-I152 PolarHBondContact O-N 3.11Å |
| 153 | Q | 89.1 | Confident | 92.2 | Very high | 14 Ų | 14 | 81.7 Ų | 81.7 | 7% | 0.065 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.7 | 173 | -76.1 | -70.1 | 7 | 0 | 0 | 111.9 | V104 E158 V222 N223 L225 D226 | V104-Q153 VanDerWaalsContact CG1-O 3.27Å; V104-Q153 WeakPolarHBondContact CG1-O 3.44Å; V104-Q153 WeakPolarHBondContact CG2-O 3.42Å; Q153-E158 HydrophobicContact CB-CG 3.69Å; Q153-V222 PolarHBondContact NE2-O 3.32Å; Q153-N223 PolarHBondContact OE1-ND2 3.35Å; Q153-L225 HydrophobicContact CG-CD1 4.13Å; Q153-D226 WeakPolarHBondContact CG-OD2 3.27Å; Q153-D226 VanDerWaalsContact NE2-CG 3.33Å; Q153-D226 PolarHBondContact NE2-OD2 2.84Å |
| 154 | T | 91.9 | Very high | 92.2 | Very high | 88 Ų | 88 | 78.5 Ų | 78.5 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 154.2 | 170 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | A156 G157 E158 | T154-A156 HydrophobicContact CG2-CB 4.43Å; T154-A156 PolarHBondContact O-N 2.96Å; T154-A156 VanDerWaalsContact O-N 3.15Å; T154-G157 CarbonylContact O-C 3.6Å; T154-G157 VanDerWaalsContact O-CA 3.29Å; T154-G157 WeakPolarHBondContact O-CA 3.17Å; T154-G157 PolarHBondContact O-N 2.82Å; T154-E158 PolarHBondContact O-N 3.15Å |
| 155 | K | 90.6 | Very high | 92.3 | Very high | 99 Ų | 99 | 85 Ų | 85 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -49.1 | -43.3 | 173.9 | -177.5 | 176.7 | -178.2 | 164.7 | 0 | 112.7 | E101 I102 V104 G157 A159 | E101-K155 VanDerWaalsContact O-CE 3.26Å; E101-K155 WeakPolarHBondContact O-CE 3.44Å; E101-K155 PolarHBondContact O-NZ 3.11Å; I102-K155 PolarHBondContact O-NZ 2.95Å; V104-K155 HydrophobicContact CG2-CB 4.05Å; V104-K155 VanDerWaalsContact CG2-N 3.3Å; K155-G157 VanDerWaalsContact C-N 3.34Å; K155-A159 WeakPolarHBondContact O-CB 3.43Å; K155-A159 PolarHBondContact O-N 3.1Å; K155-A159 VanDerWaalsContact O-N 3.11Å |
| 156 | A | 91.5 | Very high | 92.4 | Very high | 64 Ų | 64 | 80.4 Ų | 80.4 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T154 T160 | T154-A156 HydrophobicContact CG2-CB 4.43Å; T154-A156 PolarHBondContact O-N 2.96Å; T154-A156 VanDerWaalsContact O-N 3.15Å; A156-T160 WeakPolarHBondContact O-CB 3.35Å; A156-T160 PolarHBondContact O-N 3.3Å; A156-T160 PolarHBondContact O-OG1 2.95Å |
| 157 | G | 92.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T154 K155 A159 T160 V161 | T154-G157 CarbonylContact O-C 3.6Å; T154-G157 VanDerWaalsContact O-CA 3.29Å; T154-G157 WeakPolarHBondContact O-CA 3.17Å; T154-G157 PolarHBondContact O-N 2.82Å; K155-G157 VanDerWaalsContact C-N 3.34Å; G157-A159 VanDerWaalsContact C-N 3.33Å; G157-A159 PolarHBondContact O-N 2.86Å; G157-T160 WeakPolarHBondContact O-CB 3.47Å; G157-T160 PolarHBondContact O-N 2.84Å; G157-T160 VanDerWaalsContact O-N 3.11Å; G157-V161 WeakPolarHBondContact O-CG2 3.35Å; G157-V161 PolarHBondContact O-N 3.45Å |
| 158 | E | 92.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 77.2 Ų | 77.2 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 176.5 | -64.7 | -177.3 | 159.6 | 0 | 0 | 111.8 | S98 Q153 T154 T160 V161 K162 | S98-E158 WeakPolarHBondContact CB-OE1 3.49Å; S98-E158 PolarHBondContact OG-OE1 3.02Å; Q153-E158 HydrophobicContact CB-CG 3.69Å; T154-E158 PolarHBondContact O-N 3.15Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 2.99Å; E158-V161 PolarHBondContact O-N 3.43Å; E158-K162 WeakPolarHBondContact O-CB 3.26Å; E158-K162 PolarHBondContact O-N 3.05Å |
| 159 | A | 92.7 | Very high | 92.8 | Very high | 59 Ų | 59 | 70.2 Ų | 70.2 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K155 G157 K162 F163 | K155-A159 WeakPolarHBondContact O-CB 3.43Å; K155-A159 PolarHBondContact O-N 3.1Å; K155-A159 VanDerWaalsContact O-N 3.11Å; G157-A159 VanDerWaalsContact C-N 3.33Å; G157-A159 PolarHBondContact O-N 2.86Å; A159-K162 PolarHBondContact O-N 3.08Å; A159-F163 WeakPolarHBondContact O-CB 3.45Å; A159-F163 PolarHBondContact O-N 3.32Å |
| 160 | T | 93.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 31% | 0.307 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | A156 G157 E158 K162 F163 L164 V222 | A156-T160 WeakPolarHBondContact O-CB 3.35Å; A156-T160 PolarHBondContact O-N 3.3Å; A156-T160 PolarHBondContact O-OG1 2.95Å; G157-T160 WeakPolarHBondContact O-CB 3.47Å; G157-T160 PolarHBondContact O-N 2.84Å; G157-T160 VanDerWaalsContact O-N 3.11Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 2.99Å; T160-K162 VanDerWaalsContact C-N 3.34Å; T160-K162 PolarHBondContact O-N 2.85Å; T160-F163 PolarHBondContact O-N 3.01Å; T160-L164 HydrophobicContact CG2-CD1 3.96Å; T160-L164 HydrophobicContact CG2-CG 4.23Å; T160-L164 WeakPolarHBondContact O-CB 3.48Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.49Å; T160-L164 PolarHBondContact O-N 3.03Å; T160-V222 HydrophobicContact CG2-CG2 4.41Å |
| 161 | V | 93.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.7 | 167.1 | 0 | 0 | 0 | 0 | 110.7 | G157 E158 F163 L164 R165 V222 D226 V228 | G157-V161 WeakPolarHBondContact O-CG2 3.35Å; G157-V161 PolarHBondContact O-N 3.45Å; E158-V161 PolarHBondContact O-N 3.43Å; V161-F163 PolarHBondContact O-N 3.46Å; V161-L164 PolarHBondContact O-N 3.07Å; V161-R165 WeakPolarHBondContact O-CG 3.49Å; V161-R165 PolarHBondContact O-N 2.99Å; V161-V222 HydrophobicContact CG2-CB 3.89Å; V161-V222 HydrophobicContact CG2-CG1 4.16Å; V161-V222 HydrophobicContact CG2-CG2 3.79Å; V161-D226 HydrophobicContact CG2-CB 3.93Å; V161-V228 HydrophobicContact CB-CG2 4.23Å; V161-V228 HydrophobicContact CG1-CG2 3.77Å; V161-V228 HydrophobicContact CG2-CG2 4.12Å |
| 162 | K | 93.7 | Very high | 93.5 | Very high | 112 Ų | 112 | 56 Ų | 56 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177 | -172 | 172.6 | -175.6 | 169.3 | 0 | 111.7 | D100 E158 A159 T160 R165 S166 | D100-K162 IonicContact OD2-NZ 3.54Å; D100-K162 PolarHBondContact OD2-NZ 3.18Å; E158-K162 WeakPolarHBondContact O-CB 3.26Å; E158-K162 PolarHBondContact O-N 3.05Å; A159-K162 PolarHBondContact O-N 3.08Å; T160-K162 VanDerWaalsContact C-N 3.34Å; T160-K162 PolarHBondContact O-N 2.85Å; K162-R165 PolarHBondContact O-N 2.93Å; K162-S166 PolarHBondContact O-N 3.11Å |
| 163 | F | 94.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 54 Ų | 54 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 176.6 | 179.2 | -99.8 | 0 | 0 | 0 | 111.8 | A159 T160 V161 R165 S166 C167 L194 V196 | A159-F163 WeakPolarHBondContact O-CB 3.45Å; A159-F163 PolarHBondContact O-N 3.32Å; T160-F163 PolarHBondContact O-N 3.01Å; V161-F163 PolarHBondContact O-N 3.46Å; F163-R165 VanDerWaalsContact C-N 3.3Å; F163-R165 PolarHBondContact O-N 3.19Å; F163-S166 PolarHBondContact O-N 2.94Å; F163-S166 PolarHBondContact O-OG 3.33Å; F163-C167 WeakPolarHBondContact CE1-SG 3.21Å; F163-C167 WeakPolarHBondContact CZ-SG 3.05Å; F163-C167 PolarHBondContact O-N 2.95Å; F163-C167 PolarHBondContact O-SG 2.69Å; F163-L194 HydrophobicContact CE1-CB 4.39Å; F163-V196 HydrophobicContact CD1-CG2 3.9Å; F163-V196 HydrophobicContact CE1-CG2 3.41Å; F163-V196 VanDerWaalsContact CE1-CG2 3.41Å; F163-V196 HydrophobicContact CZ-CG2 4.37Å |
| 164 | L | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | -179.7 | -71 | 174.5 | 0 | 0 | 0 | 112.3 | T160 V161 S166 C167 F190 V220 V222 V228 V230 | T160-L164 HydrophobicContact CG2-CD1 3.96Å; T160-L164 HydrophobicContact CG2-CG 4.23Å; T160-L164 WeakPolarHBondContact O-CB 3.48Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.49Å; T160-L164 PolarHBondContact O-N 3.03Å; V161-L164 PolarHBondContact O-N 3.07Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 3.16Å; L164-C167 PolarHBondContact O-N 2.84Å; L164-F190 HydrophobicContact CD2-CE1 3.94Å; L164-V220 HydrophobicContact CD1-CB 4.15Å; L164-V220 HydrophobicContact CD1-CG1 3.81Å; L164-V222 HydrophobicContact CD1-CG2 3.87Å; L164-V228 HydrophobicContact CB-CB 4.33Å; L164-V228 HydrophobicContact CB-CG1 3.86Å; L164-V230 HydrophobicContact CB-CG2 4.18Å; L164-V230 HydrophobicContact CD2-CG2 4.37Å |
| 165 | R | 94.9 | Very high | 93.9 | Very high | 178 Ų | 178 | 59.9 Ų | 59.9 | 67% | 0.672 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.1 | -31.2 | 175.5 | -74.8 | 175.5 | -176.7 | 164 | 3.6 | 113.4 | V161 K162 F163 V228 | V161-R165 WeakPolarHBondContact O-CG 3.49Å; V161-R165 PolarHBondContact O-N 2.99Å; K162-R165 PolarHBondContact O-N 2.93Å; F163-R165 VanDerWaalsContact C-N 3.3Å; F163-R165 PolarHBondContact O-N 3.19Å; R165-V228 HydrophobicContact CG-CG1 3.78Å |
| 166 | S | 94.5 | Very high | 93.8 | Very high | 95 Ų | 95 | 62.7 Ų | 62.7 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -87.8 | -8.2 | 177.4 | 61 | 0 | 0 | 0 | 0 | 114.3 | K162 F163 L164 | K162-S166 PolarHBondContact O-N 3.11Å; F163-S166 PolarHBondContact O-N 2.94Å; F163-S166 PolarHBondContact O-OG 3.33Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 3.16Å |
| 167 | C | 93.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | trans | -90.6 | 152.9 | -172.1 | -75.6 | 0 | 0 | 0 | 0 | 112.8 | F163 L164 L194 P231 | F163-C167 WeakPolarHBondContact CE1-SG 3.21Å; F163-C167 WeakPolarHBondContact CZ-SG 3.05Å; F163-C167 PolarHBondContact O-N 2.95Å; F163-C167 PolarHBondContact O-SG 2.69Å; L164-C167 PolarHBondContact O-N 2.84Å; C167-L194 HydrophobicContact CB-CD1 3.93Å; C167-L194 HydrophobicContact CB-CD2 4.32Å; C167-P231 WeakPolarHBondContact O-CD 3.45Å; C167-P231 WeakPolarHBondContact O-CG 3.3Å | ||
| 168 | H | 95.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 73.8 Ų | 73.8 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | trans | -128.1 | 129.3 | 168 | 169.8 | -79 | 0 | 0 | 0 | 109.1 | P231 S233 | H168-P231 HydrophobicContact CB-CG 4.3Å; H168-S233 PolarHBondContact CE1-OG 3.35Å | ||
| 169 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.3 | -174.1 | -177.3 | 69.8 | 0 | 0 | 0 | 112 | V171 V186 H189 F190 L194 V230 P231 M232 S233 | L169-V171 HydrophobicContact CD2-CG2 3.86Å; L169-V171 HydrophobicContact CG-CG2 4Å; L169-V186 HydrophobicContact CD2-CG1 3.7Å; L169-H189 HydrophobicContact CD1-CB 4.21Å; L169-F190 HydrophobicContact CD1-CD1 4.33Å; L169-F190 HydrophobicContact CD1-CG 4.3Å; L169-F190 HydrophobicContact CD2-CD2 3.94Å; L169-F190 HydrophobicContact CD2-CE1 4.48Å; L169-F190 HydrophobicContact CD2-CE2 3.66Å; L169-F190 HydrophobicContact CD2-CG 4.46Å; L169-F190 HydrophobicContact CD2-CZ 3.95Å; L169-L194 HydrophobicContact CD1-CD1 4.09Å; L169-L194 HydrophobicContact CD1-CG 4.44Å; L169-V230 HydrophobicContact CB-CG1 4.42Å; L169-P231 PolarHBondContact N-O 3.05Å; L169-M232 HydrophobicContact CB-CB 4.4Å; L169-M232 HydrophobicContact CD2-CG 4.35Å; L169-M232 HydrophobicContact CD2-SD 4.24Å; L169-M232 CarbonylContact O-C 3.34Å; L169-M232 VanDerWaalsContact O-CA 3.26Å; L169-M232 WeakPolarHBondContact O-CA 3.17Å; L169-S233 PolarHBondContact O-N 3.36Å |
| 170 | E | 95.8 | Very high | 93.9 | Very high | 91 Ų | 91 | 76.1 Ų | 76.1 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.7 | 171.5 | -65.9 | -172.3 | 170.9 | 0 | 0 | 112.6 | H189 N193 S233 | E170-H189 PolarHBondContact O-ND1 2.99Å; E170-N193 PolarHBondContact O-ND2 3.18Å; E170-S233 CarbonylContact C-O 3.59Å |
| 171 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 109.5 | 177 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | L169 M173 L181 I185 H189 M232 S233 V234 V235 | L169-V171 HydrophobicContact CD2-CG2 3.86Å; L169-V171 HydrophobicContact CG-CG2 4Å; V171-M173 HydrophobicContact CG1-CE 3.46Å; V171-M173 VanDerWaalsContact CG1-CE 3.46Å; V171-M173 HydrophobicContact CG1-CG 4.27Å; V171-L181 HydrophobicContact CG1-CD1 3.78Å; V171-I185 HydrophobicContact CG1-CG2 4.46Å; V171-H189 HydrophobicContact CG2-CB 4.14Å; V171-M232 HydrophobicContact CG2-CG 3.84Å; V171-M232 HydrophobicContact CG2-SD 3.65Å; V171-S233 PolarHBondContact N-O 2.91Å; V171-V234 HydrophobicContact CB-CG2 4.31Å; V171-V234 CarbonylContact O-C 3.57Å; V171-V234 WeakPolarHBondContact O-CA 3.16Å; V171-V235 PolarHBondContact O-N 3.1Å |
| 172 | G | 94.6 | Very high | 94 | Very high | 15 Ų | 15 | 78 Ų | 78 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 105.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H189 V235 | G172-H189 PolarHBondContact N-CE1 3.04Å; G172-H189 VanDerWaalsContact N-CE1 3.31Å; G172-V235 CarbonylContact C-O 3.51Å; G172-V235 WeakPolarHBondContact CA-O 3.4Å |
| 173 | M | 95.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.8 | 178.5 | -69.6 | -60.5 | 123.5 | 0 | 0 | 113.3 | V171 W179 I185 V234 V235 F237 | V171-M173 HydrophobicContact CG1-CE 3.46Å; V171-M173 VanDerWaalsContact CG1-CE 3.46Å; V171-M173 HydrophobicContact CG1-CG 4.27Å; M173-W179 HydrophobicContact CB-CD2 3.71Å; M173-W179 HydrophobicContact CB-CE3 4.26Å; M173-W179 HydrophobicContact CB-CG 4.09Å; M173-W179 HydrophobicContact CB-CH2 4.27Å; M173-W179 HydrophobicContact CB-CZ2 3.72Å; M173-W179 HydrophobicContact CG-CD2 3.7Å; M173-W179 HydrophobicContact CG-CE3 3.79Å; M173-W179 HydrophobicContact CG-CG 4.2Å; M173-W179 HydrophobicContact CG-CH2 4.25Å; M173-W179 HydrophobicContact CG-CZ2 4.17Å; M173-W179 HydrophobicContact CG-CZ3 4.06Å; M173-W179 HydrophobicContact SD-CB 4.47Å; M173-W179 HydrophobicContact SD-CD2 4.27Å; M173-W179 HydrophobicContact SD-CE3 4.44Å; M173-W179 HydrophobicContact SD-CG 4.25Å; M173-I185 HydrophobicContact CE-CG2 3.23Å; M173-I185 HydrophobicContact SD-CG2 4.31Å; M173-V234 HydrophobicContact CG-CG1 4.19Å; M173-V235 PolarHBondContact N-O 3.37Å; M173-F237 PolarHBondContact O-N 3.39Å |
| 174 | K | 93 | Very high | 94.2 | Very high | 126 Ų | 126 | 75.8 Ų | 75.8 | 55% | 0.548 | 38% | 0.377 | S | S | . | . | trans | -79.3 | 143 | -178.9 | -66.1 | 176.7 | -178 | 172.6 | 0 | 110.9 | W179 F237 | K174-W179 PolarHBondContact O-NE1 3.44Å; K174-W179 VanDerWaalsContact O-NE1 3.13Å; K174-F237 HydrophobicContact CG-CB 3.98Å; K174-F237 HydrophobicContact CG-CD1 3.9Å; K174-F237 HydrophobicContact CG-CG 4.15Å | ||
| 175 | N | 90.7 | Very high | 94.2 | Very high | 99 Ų | 99 | 77.5 Ų | 77.5 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -38.2 | 175.7 | -171.2 | 6.6 | 0 | 0 | 0 | 113.1 | V177 W213 L236 | N175-V177 PolarHBondContact O-N 3.01Å; N175-W213 HydrophobicContact CB-CH2 3.95Å; N175-W213 HydrophobicContact CB-CZ2 3.92Å; N175-W213 VanDerWaalsContact OD1-CH2 3.3Å; N175-W213 WeakPolarHBondContact OD1-CH2 3.4Å; N175-L236 HydrophobicContact CB-CD1 3.67Å |
| 176 | N | 89.4 | Confident | 94.3 | Very high | 159 Ų | 159 | 69 Ų | 69 | 85% | 0.85 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -1.4 | -169.7 | -56.3 | 1.1 | 0 | 0 | 0 | 114.4 | ||
| 177 | V | 91.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 65 Ų | 65 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -125.8 | 132.7 | -176.7 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | N175 W179 | N175-V177 PolarHBondContact O-N 3.01Å; V177-W179 PolarHBondContact O-N 2.93Å |
| 178 | K | 92.5 | Very high | 94.5 | Very high | 215 Ų | 215 | 72.1 Ų | 72.1 | 94% | 0.935 | 35% | 0.351 | S | S | * | . | trans | -69.2 | 123.4 | 168.8 | -65.8 | -176.4 | -179.7 | -178.2 | 0 | 108 | ||||
| 179 | W | 93.5 | Very high | 94.5 | Very high | 28 Ų | 28 | 69 Ų | 69 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | trans | -130.9 | 145.4 | -178.3 | 52.8 | -96.7 | 0 | 0 | 0 | 109.7 | M173 K174 V177 I210 T211 R212 W213 V234 | M173-W179 HydrophobicContact CB-CD2 3.71Å; M173-W179 HydrophobicContact CB-CE3 4.26Å; M173-W179 HydrophobicContact CB-CG 4.09Å; M173-W179 HydrophobicContact CB-CH2 4.27Å; M173-W179 HydrophobicContact CB-CZ2 3.72Å; M173-W179 HydrophobicContact CG-CD2 3.7Å; M173-W179 HydrophobicContact CG-CE3 3.79Å; M173-W179 HydrophobicContact CG-CG 4.2Å; M173-W179 HydrophobicContact CG-CH2 4.25Å; M173-W179 HydrophobicContact CG-CZ2 4.17Å; M173-W179 HydrophobicContact CG-CZ3 4.06Å; M173-W179 HydrophobicContact SD-CB 4.47Å; M173-W179 HydrophobicContact SD-CD2 4.27Å; M173-W179 HydrophobicContact SD-CE3 4.44Å; M173-W179 HydrophobicContact SD-CG 4.25Å; K174-W179 PolarHBondContact O-NE1 3.44Å; K174-W179 VanDerWaalsContact O-NE1 3.13Å; V177-W179 PolarHBondContact O-N 2.93Å; W179-I210 HydrophobicContact CZ3-CG2 4.27Å; W179-I210 WeakPolarHBondContact CZ3-O 3.28Å; W179-T211 VanDerWaalsContact CH2-C 3.49Å; W179-T211 WeakPolarHBondContact CZ2-O 3.41Å; W179-T211 WeakPolarHBondContact O-CG2 3.41Å; W179-R212 WeakPolarHBondContact CH2-O 3.49Å; W179-W213 AromaticContact CZ2-CD1 3.99Å; W179-W213 HydrophobicContact CZ2-CD2 4.44Å; W179-W213 AromaticContact CZ2-CE2 3.96Å; W179-W213 HydrophobicContact CZ2-CG 4.45Å; W179-W213 HydrophobicContact CZ2-CZ2 4.38Å; W179-W213 AromaticContact CZ2-NE1 3.7Å; W179-V234 HydrophobicContact CH2-CG1 3.45Å; W179-V234 VanDerWaalsContact CH2-CG1 3.45Å; W179-V234 HydrophobicContact CZ2-CG1 4.19Å; W179-V234 HydrophobicContact CZ3-CG1 3.94Å | ||
| 180 | E | 94.5 | Very high | 94.5 | Very high | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | trans | -119.5 | 136.8 | 167.4 | -68.1 | 175.6 | -177.3 | 0 | 0 | 107.1 | N182 | E180-N182 PolarHBondContact O-N 2.89Å; E180-N182 VanDerWaalsContact O-N 3.14Å | ||
| 181 | L | 94.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | trans | -77.1 | 104.9 | -175.1 | -168.9 | 67.8 | 0 | 0 | 0 | 110.9 | V171 I185 V186 L205 I210 M232 V234 | V171-L181 HydrophobicContact CG1-CD1 3.78Å; L181-I185 HydrophobicContact CD1-CB 4.2Å; L181-I185 HydrophobicContact CD1-CG2 3.86Å; L181-V186 HydrophobicContact CD1-CG2 3.76Å; L181-V186 HydrophobicContact CD2-CG2 3.78Å; L181-V186 HydrophobicContact CG-CG2 3.69Å; L181-L205 HydrophobicContact CG-CD1 4.3Å; L181-L205 WeakPolarHBondContact O-CD1 3.47Å; L181-I210 HydrophobicContact CB-CB 3.9Å; L181-I210 HydrophobicContact CB-CG2 4.31Å; L181-I210 HydrophobicContact CD2-CB 4.33Å; L181-I210 HydrophobicContact CD2-CD1 3.81Å; L181-I210 HydrophobicContact CD2-CG2 4.35Å; L181-I210 PolarHBondContact N-O 3.22Å; L181-M232 HydrophobicContact CD2-CE 3.38Å; L181-M232 HydrophobicContact CD2-SD 3.71Å; L181-V234 HydrophobicContact CD2-CG2 4.16Å | ||
| 182 | N | 95 | Very high | 94.4 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | trans | -90.7 | 152.3 | 173.8 | -67.7 | -18.1 | 0 | 0 | 0 | 111.6 | E180 E184 I185 V186 | E180-N182 PolarHBondContact O-N 2.89Å; E180-N182 VanDerWaalsContact O-N 3.14Å; N182-E184 PolarHBondContact O-N 2.83Å; N182-E184 VanDerWaalsContact O-N 3.12Å; N182-I185 HydrophobicContact CB-CD1 4.37Å; N182-I185 HydrophobicContact CB-CG1 4.36Å; N182-I185 WeakPolarHBondContact O-CB 3.33Å; N182-I185 PolarHBondContact O-N 2.67Å; N182-V186 PolarHBondContact O-N 3.48Å | ||
| 183 | P | 96 | Very high | 94.4 | Very high | 46 Ų | 46 | 80.5 Ų | 80.5 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.1 | -33.7 | 174 | -27.9 | 35.6 | 0 | 0 | 0 | 113.6 | I185 V186 A187 P200 L203 L205 | P183-I185 VanDerWaalsContact C-N 3.34Å; P183-I185 PolarHBondContact O-N 2.76Å; P183-V186 PolarHBondContact O-N 2.88Å; P183-A187 WeakPolarHBondContact O-CB 3.4Å; P183-A187 PolarHBondContact O-N 2.87Å; P183-P200 HydrophobicContact CB-CB 4.39Å; P183-L203 HydrophobicContact CB-CB 4.31Å; P183-L203 WeakPolarHBondContact O-CD1 3.4Å; P183-L205 HydrophobicContact CG-CD1 4.13Å; P183-L205 HydrophobicContact CG-CG 4.47Å |
| 184 | E | 96 | Very high | 94.3 | Very high | 105 Ų | 105 | 81.5 Ų | 81.5 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 175.4 | -64.1 | -172.7 | -178.1 | 0 | 0 | 113.5 | N182 V186 R188 P200 | N182-E184 PolarHBondContact O-N 2.83Å; N182-E184 VanDerWaalsContact O-N 3.12Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-R188 WeakPolarHBondContact O-CG 3.2Å; E184-R188 PolarHBondContact O-N 3.33Å; E184-R188 VanDerWaalsContact O-N 3.11Å; E184-R188 IonicContact OE2-NH2 2.65Å; E184-P200 HydrophobicContact CG-CB 4.27Å; E184-P200 HydrophobicContact CG-CG 4.19Å |
| 185 | I | 95.5 | Very high | 94.3 | Very high | 36 Ų | 36 | 78.1 Ų | 78.1 | 19% | 0.185 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 178.7 | -63.1 | 176.6 | 0 | 0 | 0 | 108.6 | V171 M173 L181 N182 P183 R188 H189 | V171-I185 HydrophobicContact CG1-CG2 4.46Å; M173-I185 HydrophobicContact CE-CG2 3.23Å; M173-I185 HydrophobicContact SD-CG2 4.31Å; L181-I185 HydrophobicContact CD1-CB 4.2Å; L181-I185 HydrophobicContact CD1-CG2 3.86Å; N182-I185 HydrophobicContact CB-CD1 4.37Å; N182-I185 HydrophobicContact CB-CG1 4.36Å; N182-I185 WeakPolarHBondContact O-CB 3.33Å; N182-I185 PolarHBondContact O-N 2.67Å; P183-I185 VanDerWaalsContact C-N 3.34Å; P183-I185 PolarHBondContact O-N 2.76Å; I185-R188 PolarHBondContact O-N 3.07Å; I185-H189 PolarHBondContact O-CD2 3.31Å; I185-H189 VanDerWaalsContact O-CD2 3.3Å; I185-H189 PolarHBondContact O-N 2.76Å; I185-H189 VanDerWaalsContact O-N 3.09Å |
| 186 | V | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 111 | L169 L181 N182 P183 E184 R188 H189 F190 L203 L205 M232 | L169-V186 HydrophobicContact CD2-CG1 3.7Å; L181-V186 HydrophobicContact CD1-CG2 3.76Å; L181-V186 HydrophobicContact CD2-CG2 3.78Å; L181-V186 HydrophobicContact CG-CG2 3.69Å; N182-V186 PolarHBondContact O-N 3.48Å; P183-V186 PolarHBondContact O-N 2.88Å; E184-V186 VanDerWaalsContact C-N 3.34Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.45Å; V186-H189 WeakPolarHBondContact O-CA 3.18Å; V186-H189 PolarHBondContact O-N 3.42Å; V186-F190 HydrophobicContact CG1-CD2 3.82Å; V186-F190 HydrophobicContact CG1-CE2 3.59Å; V186-F190 WeakPolarHBondContact O-CD2 3.43Å; V186-F190 PolarHBondContact O-N 3.25Å; V186-L203 HydrophobicContact CB-CD1 4.09Å; V186-L203 HydrophobicContact CG1-CD1 3.95Å; V186-L205 HydrophobicContact CG2-CD1 4.41Å; V186-L205 HydrophobicContact CG2-CD2 4.02Å; V186-M232 HydrophobicContact CG1-SD 4.4Å; V186-M232 HydrophobicContact CG2-SD 4.06Å |
| 187 | A | 96.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 73 Ų | 73 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P183 H189 F190 F191 V198 P200 L203 | P183-A187 WeakPolarHBondContact O-CB 3.4Å; P183-A187 PolarHBondContact O-N 2.87Å; A187-H189 VanDerWaalsContact C-N 3.31Å; A187-H189 PolarHBondContact O-N 3.04Å; A187-F190 WeakPolarHBondContact O-CB 3.42Å; A187-F190 PolarHBondContact O-N 2.97Å; A187-F191 PolarHBondContact O-N 2.88Å; A187-V198 WeakPolarHBondContact CB-O 3.46Å; A187-P200 HydrophobicContact CB-CG 4.34Å; A187-L203 HydrophobicContact CB-CD1 3.85Å |
| 188 | R | 96.4 | Very high | 94.8 | Very high | 162 Ų | 162 | 70 Ų | 70 | 61% | 0.611 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 175 | -70.4 | 174.7 | -170.4 | 142.6 | 11 | 112.2 | E184 I185 V186 F191 K192 | E184-R188 WeakPolarHBondContact O-CG 3.2Å; E184-R188 PolarHBondContact O-N 3.33Å; E184-R188 VanDerWaalsContact O-N 3.11Å; E184-R188 IonicContact OE2-NH2 2.65Å; I185-R188 PolarHBondContact O-N 3.07Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.45Å; R188-F191 PolarHBondContact O-N 3.45Å; R188-K192 WeakPolarHBondContact O-CB 3.32Å; R188-K192 PolarHBondContact O-N 2.96Å |
| 189 | H | 95.8 | Very high | 95 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.1 | -34.6 | 177.4 | -86.2 | -83.6 | 0 | 0 | 0 | 112.9 | L169 E170 V171 G172 I185 V186 A187 F191 K192 N193 | L169-H189 HydrophobicContact CD1-CB 4.21Å; E170-H189 PolarHBondContact O-ND1 2.99Å; V171-H189 HydrophobicContact CG2-CB 4.14Å; G172-H189 PolarHBondContact N-CE1 3.04Å; G172-H189 VanDerWaalsContact N-CE1 3.31Å; I185-H189 PolarHBondContact O-CD2 3.31Å; I185-H189 VanDerWaalsContact O-CD2 3.3Å; I185-H189 PolarHBondContact O-N 2.76Å; I185-H189 VanDerWaalsContact O-N 3.09Å; V186-H189 WeakPolarHBondContact O-CA 3.18Å; V186-H189 PolarHBondContact O-N 3.42Å; A187-H189 VanDerWaalsContact C-N 3.31Å; A187-H189 PolarHBondContact O-N 3.04Å; H189-F191 VanDerWaalsContact C-N 3.33Å; H189-F191 PolarHBondContact O-N 3.5Å; H189-K192 PolarHBondContact O-N 3.2Å; H189-N193 WeakPolarHBondContact O-CB 3.17Å; H189-N193 PolarHBondContact O-N 3.27Å |
| 190 | F | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -56.2 | -48.5 | 169.2 | -89.8 | -75 | 0 | 0 | 0 | 111.2 | L164 L169 V186 A187 L194 G195 V196 V198 L203 V220 V230 | L164-F190 HydrophobicContact CD2-CE1 3.94Å; L169-F190 HydrophobicContact CD1-CD1 4.33Å; L169-F190 HydrophobicContact CD1-CG 4.3Å; L169-F190 HydrophobicContact CD2-CD2 3.94Å; L169-F190 HydrophobicContact CD2-CE1 4.48Å; L169-F190 HydrophobicContact CD2-CE2 3.66Å; L169-F190 HydrophobicContact CD2-CG 4.46Å; L169-F190 HydrophobicContact CD2-CZ 3.95Å; V186-F190 HydrophobicContact CG1-CD2 3.82Å; V186-F190 HydrophobicContact CG1-CE2 3.59Å; V186-F190 WeakPolarHBondContact O-CD2 3.43Å; V186-F190 PolarHBondContact O-N 3.25Å; A187-F190 WeakPolarHBondContact O-CB 3.42Å; A187-F190 PolarHBondContact O-N 2.97Å; F190-L194 HydrophobicContact CD1-CD1 3.71Å; F190-L194 HydrophobicContact CE1-CD1 3.86Å; F190-L194 CarbonylContact O-C 3.53Å; F190-L194 WeakPolarHBondContact O-CA 3.42Å; F190-L194 WeakPolarHBondContact O-CB 3.08Å; F190-L194 PolarHBondContact O-N 2.65Å; F190-G195 PolarHBondContact O-N 3.32Å; F190-G195 VanDerWaalsContact O-N 3.13Å; F190-V196 CarbonylContact C-O 3.56Å; F190-V196 PolarHBondContact O-N 3.21Å; F190-V198 HydrophobicContact CB-CG2 4.07Å; F190-V198 HydrophobicContact CD1-CG2 4.24Å; F190-V198 HydrophobicContact CD2-CG2 4.39Å; F190-V198 HydrophobicContact CG-CG2 4Å; F190-L203 HydrophobicContact CD2-CD1 4.34Å; F190-L203 HydrophobicContact CD2-CD2 4.31Å; F190-L203 HydrophobicContact CE2-CD1 4.42Å; F190-L203 HydrophobicContact CE2-CD2 3.81Å; F190-V220 HydrophobicContact CE1-CG2 4.46Å; F190-V220 HydrophobicContact CE2-CG2 4.17Å; F190-V220 HydrophobicContact CZ-CG2 3.69Å; F190-V230 HydrophobicContact CE1-CG1 4.34Å; F190-V230 HydrophobicContact CZ-CB 4.38Å; F190-V230 HydrophobicContact CZ-CG1 4.19Å; F190-V230 HydrophobicContact CZ-CG2 4.39Å |
| 191 | F | 95.9 | Very high | 95.1 | Very high | 132 Ų | 132 | 65 Ų | 65 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -63.8 | -47.1 | 178 | -179.5 | -108.6 | 0 | 0 | 0 | 112 | A187 R188 H189 G195 V196 V197 | A187-F191 PolarHBondContact O-N 2.88Å; R188-F191 PolarHBondContact O-N 3.45Å; H189-F191 VanDerWaalsContact C-N 3.33Å; H189-F191 PolarHBondContact O-N 3.5Å; F191-G195 VanDerWaalsContact O-CA 3.27Å; F191-G195 WeakPolarHBondContact O-CA 3.42Å; F191-G195 PolarHBondContact O-N 3.48Å; F191-G195 VanDerWaalsContact O-N 3.14Å; F191-V196 WeakPolarHBondContact CA-O 3.34Å; F191-V196 PolarHBondContact N-O 3.01Å; F191-V197 HydrophobicContact CD2-CG2 3.73Å; F191-V197 HydrophobicContact CE2-CG2 4.01Å |
| 192 | K | 94.4 | Very high | 95.2 | Very high | 142 Ų | 142 | 65.3 Ų | 65.3 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | I | π-helix | trans | -67.9 | -41.7 | -175 | -177.1 | 179.2 | 175.8 | -178.7 | 0 | 113.8 | R188 H189 | R188-K192 WeakPolarHBondContact O-CB 3.32Å; R188-K192 PolarHBondContact O-N 2.96Å; H189-K192 PolarHBondContact O-N 3.2Å |
| 193 | N | 93.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -97.5 | -38.9 | -171.4 | -64.8 | -10 | 0 | 0 | 0 | 112.8 | E170 H189 | E170-N193 PolarHBondContact O-ND2 3.18Å; H189-N193 WeakPolarHBondContact O-CB 3.17Å; H189-N193 PolarHBondContact O-N 3.27Å |
| 194 | L | 93 | Very high | 95.2 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -105.8 | -12.8 | -174.3 | -59.9 | 176.7 | 0 | 0 | 0 | 112.6 | F163 C167 L169 F190 V196 | F163-L194 HydrophobicContact CE1-CB 4.39Å; C167-L194 HydrophobicContact CB-CD1 3.93Å; C167-L194 HydrophobicContact CB-CD2 4.32Å; L169-L194 HydrophobicContact CD1-CD1 4.09Å; L169-L194 HydrophobicContact CD1-CG 4.44Å; F190-L194 HydrophobicContact CD1-CD1 3.71Å; F190-L194 HydrophobicContact CE1-CD1 3.86Å; F190-L194 CarbonylContact O-C 3.53Å; F190-L194 WeakPolarHBondContact O-CA 3.42Å; F190-L194 WeakPolarHBondContact O-CB 3.08Å; F190-L194 PolarHBondContact O-N 2.65Å; L194-V196 HydrophobicContact CB-CG2 4.32Å; L194-V196 PolarHBondContact O-N 3.4Å |
| 195 | G | 93.2 | Very high | 95.2 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | trans | 73.7 | 12.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | F190 F191 | F190-G195 PolarHBondContact O-N 3.32Å; F190-G195 VanDerWaalsContact O-N 3.13Å; F191-G195 VanDerWaalsContact O-CA 3.27Å; F191-G195 WeakPolarHBondContact O-CA 3.42Å; F191-G195 PolarHBondContact O-N 3.48Å; F191-G195 VanDerWaalsContact O-N 3.14Å | ||
| 196 | V | 93.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | trans | -99.9 | 126.9 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 110 | F163 F190 F191 L194 V198 | F163-V196 HydrophobicContact CD1-CG2 3.9Å; F163-V196 HydrophobicContact CE1-CG2 3.41Å; F163-V196 VanDerWaalsContact CE1-CG2 3.41Å; F163-V196 HydrophobicContact CZ-CG2 4.37Å; F190-V196 CarbonylContact C-O 3.56Å; F190-V196 PolarHBondContact O-N 3.21Å; F191-V196 WeakPolarHBondContact CA-O 3.34Å; F191-V196 PolarHBondContact N-O 3.01Å; L194-V196 HydrophobicContact CB-CG2 4.32Å; L194-V196 PolarHBondContact O-N 3.4Å; V196-V198 HydrophobicContact CB-CG2 4.48Å; V196-V198 HydrophobicContact CG1-CG2 3.79Å | ||
| 197 | V | 94.4 | Very high | 94.8 | Very high | 124 Ų | 124 | 75.3 Ų | 75.3 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | trans | -83.6 | 115 | 173 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | F191 | F191-V197 HydrophobicContact CD2-CG2 3.73Å; F191-V197 HydrophobicContact CE2-CG2 4.01Å | ||
| 198 | V | 95.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 82.3 Ų | 82.3 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | trans | -121.1 | 134.3 | 177 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | A187 F190 V196 A202 L203 V220 | A187-V198 WeakPolarHBondContact CB-O 3.46Å; F190-V198 HydrophobicContact CB-CG2 4.07Å; F190-V198 HydrophobicContact CD1-CG2 4.24Å; F190-V198 HydrophobicContact CD2-CG2 4.39Å; F190-V198 HydrophobicContact CG-CG2 4Å; V196-V198 HydrophobicContact CB-CG2 4.48Å; V196-V198 HydrophobicContact CG1-CG2 3.79Å; V198-A202 HydrophobicContact CG1-CB 4.24Å; V198-L203 HydrophobicContact CG1-CD1 4.35Å; V198-L203 HydrophobicContact CG1-CD2 3.61Å; V198-L203 HydrophobicContact CG1-CG 3.83Å; V198-V220 HydrophobicContact CG1-CG1 4.06Å | ||
| 199 | A | 95.4 | Very high | 94.5 | Very high | 39 Ų | 39 | 79.5 Ų | 79.5 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | trans | -77.2 | 140.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | H201 A202 | A199-H201 WeakPolarHBondContact CB-CE1 3.39Å; A199-H201 PolarHBondContact O-N 3.48Å; A199-H201 VanDerWaalsContact O-N 3.16Å; A199-A202 WeakPolarHBondContact O-CB 3.42Å; A199-A202 PolarHBondContact O-N 3.16Å | ||
| 200 | P | 95.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -57.7 | -32.8 | -177.4 | -26.7 | 34.5 | 0 | 0 | 0 | 114.4 | P183 E184 A187 A202 L203 | P183-P200 HydrophobicContact CB-CB 4.39Å; E184-P200 HydrophobicContact CG-CB 4.27Å; E184-P200 HydrophobicContact CG-CG 4.19Å; A187-P200 HydrophobicContact CB-CG 4.34Å; P200-A202 PolarHBondContact O-N 3.36Å; P200-L203 PolarHBondContact O-N 3.26Å |
| 201 | H | 95.2 | Very high | 94.3 | Very high | 170 Ų | 170 | 82.1 Ų | 82.1 | 79% | 0.787 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -71.2 | -17.9 | 178.7 | 63.5 | -98.8 | 0 | 0 | 0 | 113.9 | A199 L203 | A199-H201 WeakPolarHBondContact CB-CE1 3.39Å; A199-H201 PolarHBondContact O-N 3.48Å; A199-H201 VanDerWaalsContact O-N 3.16Å; H201-L203 VanDerWaalsContact C-N 3.29Å |
| 202 | A | 95.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 85.2 Ų | 85.2 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -84.2 | -7.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V198 A199 P200 T221 | V198-A202 HydrophobicContact CG1-CB 4.24Å; A199-A202 WeakPolarHBondContact O-CB 3.42Å; A199-A202 PolarHBondContact O-N 3.16Å; P200-A202 PolarHBondContact O-N 3.36Å; A202-T221 PolarHBondContact O-N 3.32Å |
| 203 | L | 96.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 83.6 Ų | 83.6 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.1 | -179.6 | -61.4 | 178.1 | 0 | 0 | 0 | 110.4 | P183 V186 A187 F190 V198 P200 H201 D219 V220 | P183-L203 HydrophobicContact CB-CB 4.31Å; P183-L203 WeakPolarHBondContact O-CD1 3.4Å; V186-L203 HydrophobicContact CB-CD1 4.09Å; V186-L203 HydrophobicContact CG1-CD1 3.95Å; A187-L203 HydrophobicContact CB-CD1 3.85Å; F190-L203 HydrophobicContact CD2-CD1 4.34Å; F190-L203 HydrophobicContact CD2-CD2 4.31Å; F190-L203 HydrophobicContact CE2-CD1 4.42Å; F190-L203 HydrophobicContact CE2-CD2 3.81Å; V198-L203 HydrophobicContact CG1-CD1 4.35Å; V198-L203 HydrophobicContact CG1-CD2 3.61Å; V198-L203 HydrophobicContact CG1-CG 3.83Å; P200-L203 PolarHBondContact O-N 3.26Å; H201-L203 VanDerWaalsContact C-N 3.29Å; L203-D219 CarbonylContact C-O 3.56Å; L203-D219 WeakPolarHBondContact CA-O 3.28Å; L203-V220 HydrophobicContact CD2-CB 4.18Å; L203-V220 HydrophobicContact CD2-CG1 4.02Å; L203-V220 HydrophobicContact CD2-CG2 3.6Å |
| 204 | R | 95.8 | Very high | 94.3 | Very high | 170 Ų | 170 | 81.5 Ų | 81.5 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.7 | 167.2 | -60.9 | -179.2 | -179.7 | -174.2 | -1.2 | 109.4 | D219 | R204-D219 HydrophobicContact CB-CB 4.15Å; R204-D219 PolarHBondContact N-O 2.68Å; R204-D219 PolarHBondContact O-N 3.27Å |
| 205 | L | 95.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 87.8 Ų | 87.8 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | trans | -101.1 | 160.7 | 175.3 | -64.3 | 180 | 0 | 0 | 0 | 108.8 | L181 P183 V186 C218 M232 | L181-L205 HydrophobicContact CG-CD1 4.3Å; L181-L205 WeakPolarHBondContact O-CD1 3.47Å; P183-L205 HydrophobicContact CG-CD1 4.13Å; P183-L205 HydrophobicContact CG-CG 4.47Å; V186-L205 HydrophobicContact CG2-CD1 4.41Å; V186-L205 HydrophobicContact CG2-CD2 4.02Å; L205-C218 HydrophobicContact CD2-CB 4.1Å; L205-M232 HydrophobicContact CD2-CE 4.21Å | ||
| 206 | P | 93.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 87.7 Ų | 87.7 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | trans | -55.7 | 153 | 170.8 | 25.4 | -35.8 | 0 | 0 | 0 | 110.7 | E208 I210 W217 | P206-E208 PolarHBondContact O-N 2.72Å; P206-I210 HydrophobicContact CG-CD1 3.67Å; P206-I210 HydrophobicContact CG-CG1 4.16Å; P206-W217 WeakPolarHBondContact CD-O 3.48Å | ||
| 207 | E | 90.5 | Very high | 94.7 | Very high | 204 Ų | 204 | 92.3 Ų | 92.3 | 95% | 0.953 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -61.3 | -29.3 | -176.8 | -63 | -178 | 176.9 | 0 | 0 | 112.5 | ||
| 208 | E | 92.9 | Very high | 94.8 | Very high | 158 Ų | 158 | 86.4 Ų | 86.4 | 74% | 0.738 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -76 | 131.4 | 177.6 | -63.8 | -178.6 | -176 | 0 | 0 | 111.8 | P206 I210 | P206-E208 PolarHBondContact O-N 2.72Å; E208-I210 PolarHBondContact O-N 3.24Å |
| 209 | P | 93.5 | Very high | 94.9 | Very high | 103 Ų | 103 | 88.2 Ų | 88.2 | 67% | 0.669 | 43% | 0.43 | S | S | * | . | trans | -65.5 | 123.5 | 177.6 | 26.6 | -33.4 | 0 | 0 | 0 | 111 | T211 | P209-T211 PolarHBondContact O-N 3.3Š| ||
| 210 | I | 93.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | trans | -86.3 | 105.9 | -179.5 | -57.8 | 165.6 | 0 | 0 | 0 | 109.6 | W179 L181 P206 E208 Y216 M232 V234 | W179-I210 HydrophobicContact CZ3-CG2 4.27Å; W179-I210 WeakPolarHBondContact CZ3-O 3.28Å; L181-I210 HydrophobicContact CB-CB 3.9Å; L181-I210 HydrophobicContact CB-CG2 4.31Å; L181-I210 HydrophobicContact CD2-CB 4.33Å; L181-I210 HydrophobicContact CD2-CD1 3.81Å; L181-I210 HydrophobicContact CD2-CG2 4.35Å; L181-I210 PolarHBondContact N-O 3.22Å; P206-I210 HydrophobicContact CG-CD1 3.67Å; P206-I210 HydrophobicContact CG-CG1 4.16Å; E208-I210 PolarHBondContact O-N 3.24Å; I210-Y216 HydrophobicContact CB-CE1 4.48Å; I210-Y216 HydrophobicContact CD1-CD1 3.66Å; I210-Y216 HydrophobicContact CD1-CD2 4.27Å; I210-Y216 HydrophobicContact CD1-CE1 4.17Å; I210-Y216 HydrophobicContact CD1-CG 3.72Å; I210-Y216 HydrophobicContact CG1-CD1 3.78Å; I210-Y216 HydrophobicContact CG1-CE1 3.75Å; I210-Y216 HydrophobicContact CG1-CG 4.2Å; I210-Y216 HydrophobicContact CG2-CD1 4.43Å; I210-Y216 HydrophobicContact CG2-CD2 3.89Å; I210-Y216 HydrophobicContact CG2-CE1 4.06Å; I210-Y216 HydrophobicContact CG2-CE2 3.45Å; I210-Y216 VanDerWaalsContact CG2-CE2 3.45Å; I210-Y216 HydrophobicContact CG2-CG 4.36Å; I210-M232 HydrophobicContact CD1-CE 3.9Å; I210-V234 HydrophobicContact CG2-CG2 4.25Å | ||
| 211 | T | 94.5 | Very high | 95 | Very high | 72 Ų | 72 | 85.2 Ų | 85.2 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | trans | -117 | -7.2 | 175.7 | -41 | 0 | 0 | 0 | 0 | 112.5 | W179 P209 | W179-T211 VanDerWaalsContact CH2-C 3.49Å; W179-T211 WeakPolarHBondContact CZ2-O 3.41Å; W179-T211 WeakPolarHBondContact O-CG2 3.41Å; P209-T211 PolarHBondContact O-N 3.3Å | ||
| 212 | R | 93.6 | Very high | 95 | Very high | 198 Ų | 198 | 77.8 Ų | 77.8 | 75% | 0.747 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -112.8 | 151.4 | -175.9 | -62 | -178.2 | -177.1 | 176 | 1.9 | 110.7 | W179 Y216 | W179-R212 WeakPolarHBondContact CH2-O 3.49Å; R212-Y216 WeakPolarHBondContact O-CE2 3.23Å; R212-Y216 PolarHBondContact O-OH 3.42Å |
| 213 | W | 94.1 | Very high | 94.8 | Very high | 107 Ų | 107 | 81.9 Ų | 81.9 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | trans | -70.3 | 141.5 | 168.8 | -57 | -73.5 | 0 | 0 | 0 | 109.9 | N175 W179 V234 L236 | N175-W213 HydrophobicContact CB-CH2 3.95Å; N175-W213 HydrophobicContact CB-CZ2 3.92Å; N175-W213 VanDerWaalsContact OD1-CH2 3.3Å; N175-W213 WeakPolarHBondContact OD1-CH2 3.4Å; W179-W213 AromaticContact CZ2-CD1 3.99Å; W179-W213 HydrophobicContact CZ2-CD2 4.44Å; W179-W213 AromaticContact CZ2-CE2 3.96Å; W179-W213 HydrophobicContact CZ2-CG 4.45Å; W179-W213 HydrophobicContact CZ2-CZ2 4.38Å; W179-W213 AromaticContact CZ2-NE1 3.7Å; W213-V234 VanDerWaalsContact CA-O 3.26Å; W213-V234 WeakPolarHBondContact CA-O 3.42Å; W213-V234 VanDerWaalsContact CB-O 3.25Å; W213-V234 WeakPolarHBondContact CB-O 3.39Å; W213-L236 HydrophobicContact CZ2-CD1 4.09Å | ||
| 214 | G | 95.7 | Very high | 94.6 | Very high | 30 Ų | 30 | 84.4 Ų | 84.4 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -174.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V234 | G214-V234 PolarHBondContact N-O 3.41Å; G214-V234 PolarHBondContact O-N 3.11Å |
| 215 | E | 96.4 | Very high | 94.3 | Very high | 173 Ų | 173 | 79.7 Ų | 79.7 | 81% | 0.808 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.1 | 175.4 | -64.6 | 178.3 | -177.2 | 0 | 0 | 109.5 | ||
| 216 | Y | 96.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 80.7 Ų | 80.7 | 22% | 0.216 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 176.7 | -175.8 | -64.9 | -79 | 0 | 0 | 0 | 109.4 | I210 R212 M232 V234 | I210-Y216 HydrophobicContact CB-CE1 4.48Å; I210-Y216 HydrophobicContact CD1-CD1 3.66Å; I210-Y216 HydrophobicContact CD1-CD2 4.27Å; I210-Y216 HydrophobicContact CD1-CE1 4.17Å; I210-Y216 HydrophobicContact CD1-CG 3.72Å; I210-Y216 HydrophobicContact CG1-CD1 3.78Å; I210-Y216 HydrophobicContact CG1-CE1 3.75Å; I210-Y216 HydrophobicContact CG1-CG 4.2Å; I210-Y216 HydrophobicContact CG2-CD1 4.43Å; I210-Y216 HydrophobicContact CG2-CD2 3.89Å; I210-Y216 HydrophobicContact CG2-CE1 4.06Å; I210-Y216 HydrophobicContact CG2-CE2 3.45Å; I210-Y216 VanDerWaalsContact CG2-CE2 3.45Å; I210-Y216 HydrophobicContact CG2-CG 4.36Å; R212-Y216 WeakPolarHBondContact O-CE2 3.23Å; R212-Y216 PolarHBondContact O-OH 3.42Å; Y216-M232 CarbonylContact C-O 3.56Å; Y216-M232 HydrophobicContact CG-CE 4.49Å; Y216-M232 PolarHBondContact N-O 2.94Å; Y216-M232 PolarHBondContact O-N 3.22Å; Y216-V234 HydrophobicContact CD2-CB 4.25Å; Y216-V234 HydrophobicContact CD2-CG2 3.7Å; Y216-V234 HydrophobicContact CE2-CB 4.34Å; Y216-V234 HydrophobicContact CE2-CG2 4.15Å |
| 217 | W | 95.4 | Very high | 94.4 | Very high | 123 Ų | 123 | 81.7 Ų | 81.7 | 47% | 0.466 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.4 | 176 | -53.1 | 87.6 | 0 | 0 | 0 | 108.9 | P206 R229 V230 P231 | P206-W217 WeakPolarHBondContact CD-O 3.48Å; W217-R229 HydrophobicContact CB-CG 3.96Å; W217-R229 HydrophobicContact CD2-CG 4.33Å; W217-R229 HydrophobicContact CE3-CG 3.92Å; W217-R229 HydrophobicContact CG-CG 4.36Å; W217-R229 VanDerWaalsContact CG-NE 3.27Å; W217-V230 WeakPolarHBondContact CA-O 3.26Å; W217-P231 HydrophobicContact CE3-CB 3.82Å; W217-P231 HydrophobicContact CH2-CB 4.11Å; W217-P231 HydrophobicContact CZ3-CB 3.47Å; W217-P231 VanDerWaalsContact CZ3-CB 3.47Å; W217-P231 HydrophobicContact CZ3-CG 4.08Å |
| 218 | C | 95.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.8 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | L205 V230 | L205-C218 HydrophobicContact CD2-CB 4.1Å; C218-V230 PolarHBondContact N-O 3.47Å; C218-V230 PolarHBondContact O-N 3.16Å |
| 219 | D | 96.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 72 Ų | 72 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.8 | 177.7 | -67.9 | -26.2 | 0 | 0 | 0 | 109.3 | L203 R204 T227 R229 | L203-D219 CarbonylContact C-O 3.56Å; L203-D219 WeakPolarHBondContact CA-O 3.28Å; R204-D219 HydrophobicContact CB-CB 4.15Å; R204-D219 PolarHBondContact N-O 2.68Å; R204-D219 PolarHBondContact O-N 3.27Å; D219-T227 HydrophobicContact CB-CG2 3.79Å; D219-R229 WeakPolarHBondContact OD1-CA 3.19Å; D219-R229 WeakPolarHBondContact OD1-CB 3.35Å; D219-R229 WeakPolarHBondContact OD1-CG 3.36Å |
| 220 | V | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116 | -178.6 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | L164 F190 V198 L203 T227 V228 V230 | L164-V220 HydrophobicContact CD1-CB 4.15Å; L164-V220 HydrophobicContact CD1-CG1 3.81Å; F190-V220 HydrophobicContact CE1-CG2 4.46Å; F190-V220 HydrophobicContact CE2-CG2 4.17Å; F190-V220 HydrophobicContact CZ-CG2 3.69Å; V198-V220 HydrophobicContact CG1-CG1 4.06Å; L203-V220 HydrophobicContact CD2-CB 4.18Å; L203-V220 HydrophobicContact CD2-CG1 4.02Å; L203-V220 HydrophobicContact CD2-CG2 3.6Å; V220-T227 WeakPolarHBondContact O-CA 3.47Å; V220-V228 PolarHBondContact N-O 2.84Å; V220-V228 PolarHBondContact O-N 2.94Å; V220-V230 HydrophobicContact CG2-CB 4.44Å; V220-V230 HydrophobicContact CG2-CG2 3.74Å |
| 221 | T | 96.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 68.5 Ų | 68.5 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.7 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 111 | A202 D226 T227 | A202-T221 PolarHBondContact O-N 3.32Å; T221-D226 CarbonylContact C-O 3.52Å; T221-D226 WeakPolarHBondContact CA-O 3.36Å; T221-T227 PolarHBondContact OG1-OG1 2.84Å; T221-T227 VanDerWaalsContact OG1-OG1 3.1Å |
| 222 | V | 95.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.2 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | Q153 T160 V161 L164 G224 L225 D226 | Q153-V222 PolarHBondContact NE2-O 3.32Å; T160-V222 HydrophobicContact CG2-CG2 4.41Å; V161-V222 HydrophobicContact CG2-CB 3.89Å; V161-V222 HydrophobicContact CG2-CG1 4.16Å; V161-V222 HydrophobicContact CG2-CG2 3.79Å; L164-V222 HydrophobicContact CD1-CG2 3.87Å; V222-G224 PolarHBondContact O-N 3.21Å; V222-L225 PolarHBondContact O-N 2.83Å; V222-D226 PolarHBondContact N-O 3.46Å; V222-D226 PolarHBondContact O-N 2.83Å |
| 223 | N | 91.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 14.7 | -179.3 | -61.1 | -29.7 | 0 | 0 | 0 | 115.5 | Q153 L225 | Q153-N223 PolarHBondContact OE1-ND2 3.35Å; N223-L225 VanDerWaalsContact C-N 3.25Å; N223-L225 PolarHBondContact O-N 2.84Å |
| 224 | G | 91.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 11.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V222 | V222-G224 PolarHBondContact O-N 3.21Š|
| 225 | L | 90.6 | Very high | 95.4 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -64.8 | -178.9 | -50.3 | 172.5 | 0 | 0 | 0 | 110.5 | K151 Q153 V222 N223 | K151-L225 HydrophobicContact CB-CD1 4.04Å; K151-L225 HydrophobicContact CB-CD2 3.92Å; K151-L225 WeakPolarHBondContact O-CD1 3.19Å; Q153-L225 HydrophobicContact CG-CD1 4.13Å; V222-L225 PolarHBondContact O-N 2.83Å; N223-L225 VanDerWaalsContact C-N 3.25Å; N223-L225 PolarHBondContact O-N 2.84Å |
| 226 | D | 94 | Very high | 95.3 | Very high | 61 Ų | 61 | 48.5 Ų | 48.5 | 33% | 0.326 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130 | -176.6 | -65.8 | -42.4 | 0 | 0 | 0 | 111.1 | Q153 V161 T221 V222 | Q153-D226 WeakPolarHBondContact CG-OD2 3.27Å; Q153-D226 VanDerWaalsContact NE2-CG 3.33Å; Q153-D226 PolarHBondContact NE2-OD2 2.84Å; V161-D226 HydrophobicContact CG2-CB 3.93Å; T221-D226 CarbonylContact C-O 3.52Å; T221-D226 WeakPolarHBondContact CA-O 3.36Å; V222-D226 PolarHBondContact N-O 3.46Å; V222-D226 PolarHBondContact O-N 2.83Å |
| 227 | T | 96.2 | Very high | 95.2 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.3 | 170.6 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | D219 V220 T221 | D219-T227 HydrophobicContact CB-CG2 3.79Å; V220-T227 WeakPolarHBondContact O-CA 3.47Å; T221-T227 PolarHBondContact OG1-OG1 2.84Å; T221-T227 VanDerWaalsContact OG1-OG1 3.1Å |
| 228 | V | 96.5 | Very high | 95 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.6 | -179 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | V161 L164 R165 V220 V230 | V161-V228 HydrophobicContact CB-CG2 4.23Å; V161-V228 HydrophobicContact CG1-CG2 3.77Å; V161-V228 HydrophobicContact CG2-CG2 4.12Å; L164-V228 HydrophobicContact CB-CB 4.33Å; L164-V228 HydrophobicContact CB-CG1 3.86Å; R165-V228 HydrophobicContact CG-CG1 3.78Å; V220-V228 PolarHBondContact N-O 2.84Å; V220-V228 PolarHBondContact O-N 2.94Å; V228-V230 HydrophobicContact CG1-CG2 4.21Å; V228-V230 PolarHBondContact O-N 2.94Å |
| 229 | R | 96.4 | Very high | 94.8 | Very high | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 110.5 | 174.1 | -173.5 | 170.7 | 176.3 | 176.2 | 1.2 | 110 | W217 D219 | W217-R229 HydrophobicContact CB-CG 3.96Å; W217-R229 HydrophobicContact CD2-CG 4.33Å; W217-R229 HydrophobicContact CE3-CG 3.92Å; W217-R229 HydrophobicContact CG-CG 4.36Å; W217-R229 VanDerWaalsContact CG-NE 3.27Å; D219-R229 WeakPolarHBondContact OD1-CA 3.19Å; D219-R229 WeakPolarHBondContact OD1-CB 3.35Å; D219-R229 WeakPolarHBondContact OD1-CG 3.36Å |
| 230 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.4 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L164 L169 F190 W217 C218 V220 V228 | L164-V230 HydrophobicContact CB-CG2 4.18Å; L164-V230 HydrophobicContact CD2-CG2 4.37Å; L169-V230 HydrophobicContact CB-CG1 4.42Å; F190-V230 HydrophobicContact CE1-CG1 4.34Å; F190-V230 HydrophobicContact CZ-CB 4.38Å; F190-V230 HydrophobicContact CZ-CG1 4.19Å; F190-V230 HydrophobicContact CZ-CG2 4.39Å; W217-V230 WeakPolarHBondContact CA-O 3.26Å; C218-V230 PolarHBondContact N-O 3.47Å; C218-V230 PolarHBondContact O-N 3.16Å; V220-V230 HydrophobicContact CG2-CB 4.44Å; V220-V230 HydrophobicContact CG2-CG2 3.74Å; V228-V230 HydrophobicContact CG1-CG2 4.21Å; V228-V230 PolarHBondContact O-N 2.94Å |
| 231 | P | 97 | Very high | 94.4 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.5 | 172 | 24.3 | -29.5 | 0 | 0 | 0 | 110.8 | C167 H168 L169 W217 | C167-P231 WeakPolarHBondContact O-CD 3.45Å; C167-P231 WeakPolarHBondContact O-CG 3.3Å; H168-P231 HydrophobicContact CB-CG 4.3Å; L169-P231 PolarHBondContact N-O 3.05Å; W217-P231 HydrophobicContact CE3-CB 3.82Å; W217-P231 HydrophobicContact CH2-CB 4.11Å; W217-P231 HydrophobicContact CZ3-CB 3.47Å; W217-P231 VanDerWaalsContact CZ3-CB 3.47Å; W217-P231 HydrophobicContact CZ3-CG 4.08Å |
| 232 | M | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.2 | -176.7 | 169.7 | 173.3 | 68.2 | 0 | 0 | 110.3 | L169 V171 L181 V186 L205 I210 Y216 V234 | L169-M232 HydrophobicContact CB-CB 4.4Å; L169-M232 HydrophobicContact CD2-CG 4.35Å; L169-M232 HydrophobicContact CD2-SD 4.24Å; L169-M232 CarbonylContact O-C 3.34Å; L169-M232 VanDerWaalsContact O-CA 3.26Å; L169-M232 WeakPolarHBondContact O-CA 3.17Å; V171-M232 HydrophobicContact CG2-CG 3.84Å; V171-M232 HydrophobicContact CG2-SD 3.65Å; L181-M232 HydrophobicContact CD2-CE 3.38Å; L181-M232 HydrophobicContact CD2-SD 3.71Å; V186-M232 HydrophobicContact CG1-SD 4.4Å; V186-M232 HydrophobicContact CG2-SD 4.06Å; L205-M232 HydrophobicContact CD2-CE 4.21Å; I210-M232 HydrophobicContact CD1-CE 3.9Å; Y216-M232 CarbonylContact C-O 3.56Å; Y216-M232 HydrophobicContact CG-CE 4.49Å; Y216-M232 PolarHBondContact N-O 2.94Å; Y216-M232 PolarHBondContact O-N 3.22Å; M232-V234 HydrophobicContact CE-CG2 4.4Å; M232-V234 HydrophobicContact CG-CG2 4.27Å; M232-V234 HydrophobicContact SD-CG2 4.42Å |
| 233 | S | 96.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.3 | 168.7 | 73.2 | 0 | 0 | 0 | 0 | 110.6 | H168 L169 E170 V171 | H168-S233 PolarHBondContact CE1-OG 3.35Å; L169-S233 PolarHBondContact O-N 3.36Å; E170-S233 CarbonylContact C-O 3.59Å; V171-S233 PolarHBondContact N-O 2.91Å |
| 234 | V | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 107.9 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | V171 M173 W179 L181 I210 W213 G214 Y216 M232 | V171-V234 HydrophobicContact CB-CG2 4.31Å; V171-V234 CarbonylContact O-C 3.57Å; V171-V234 WeakPolarHBondContact O-CA 3.16Å; M173-V234 HydrophobicContact CG-CG1 4.19Å; W179-V234 HydrophobicContact CH2-CG1 3.45Å; W179-V234 VanDerWaalsContact CH2-CG1 3.45Å; W179-V234 HydrophobicContact CZ2-CG1 4.19Å; W179-V234 HydrophobicContact CZ3-CG1 3.94Å; L181-V234 HydrophobicContact CD2-CG2 4.16Å; I210-V234 HydrophobicContact CG2-CG2 4.25Å; W213-V234 VanDerWaalsContact CA-O 3.26Å; W213-V234 WeakPolarHBondContact CA-O 3.42Å; W213-V234 VanDerWaalsContact CB-O 3.25Å; W213-V234 WeakPolarHBondContact CB-O 3.39Å; G214-V234 PolarHBondContact N-O 3.41Å; G214-V234 PolarHBondContact O-N 3.11Å; Y216-V234 HydrophobicContact CD2-CB 4.25Å; Y216-V234 HydrophobicContact CD2-CG2 3.7Å; Y216-V234 HydrophobicContact CE2-CB 4.34Å; Y216-V234 HydrophobicContact CE2-CG2 4.15Å; M232-V234 HydrophobicContact CE-CG2 4.4Å; M232-V234 HydrophobicContact CG-CG2 4.27Å; M232-V234 HydrophobicContact SD-CG2 4.42Å |
| 235 | V | 95.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 79.7 Ų | 79.7 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 158.3 | -171.4 | -62.3 | 0 | 0 | 0 | 0 | 112 | V171 G172 M173 F237 | V171-V235 PolarHBondContact O-N 3.1Å; G172-V235 CarbonylContact C-O 3.51Å; G172-V235 WeakPolarHBondContact CA-O 3.4Å; M173-V235 PolarHBondContact N-O 3.37Å; V235-F237 PolarHBondContact O-N 3.48Å |
| 236 | L | 94.3 | Very high | 94.5 | Very high | 86 Ų | 86 | 81.6 Ų | 81.6 | 45% | 0.45 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 123.3 | 173.5 | 179.9 | 63.9 | 0 | 0 | 0 | 110.5 | N175 W213 Q238 | N175-L236 HydrophobicContact CB-CD1 3.67Å; W213-L236 HydrophobicContact CZ2-CD1 4.09Å; L236-Q238 PolarHBondContact O-N 3.13Å; L236-Q238 VanDerWaalsContact O-N 3.16Å |
| 237 | F | 93.2 | Very high | 94.5 | Very high | 76 Ų | 76 | 84.1 Ų | 84.1 | 33% | 0.333 | 39% | 0.393 | S | S | . | . | trans | -61.3 | 117.2 | 175.9 | 178.6 | -97.6 | 0 | 0 | 0 | 110.8 | M173 K174 V235 K239 | M173-F237 PolarHBondContact O-N 3.39Å; K174-F237 HydrophobicContact CG-CB 3.98Å; K174-F237 HydrophobicContact CG-CD1 3.9Å; K174-F237 HydrophobicContact CG-CG 4.15Å; V235-F237 PolarHBondContact O-N 3.48Å; F237-K239 HydrophobicContact CE1-CG 4.43Å | ||
| 238 | Q | 91.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 86.3 Ų | 86.3 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | trans | -104.1 | 133.6 | 172.7 | -64 | -179.7 | 5.5 | 0 | 0 | 109.9 | L236 K243 | L236-Q238 PolarHBondContact O-N 3.13Å; L236-Q238 VanDerWaalsContact O-N 3.16Å; Q238-K243 HydrophobicContact CB-CB 4.33Å | ||
| 239 | K | 91.3 | Very high | 94.3 | Very high | 150 Ų | 150 | 89.5 Ų | 89.5 | 65% | 0.652 | 41% | 0.409 | S | S | * | . | trans | -58.3 | 142.5 | 171.2 | -66.3 | -177.8 | -178.7 | 177.4 | 0 | 109.1 | F237 K241 T242 K243 | F237-K239 HydrophobicContact CE1-CG 4.43Å; K239-K241 PolarHBondContact O-N 2.63Å; K239-K241 VanDerWaalsContact O-N 3.12Å; K239-T242 WeakPolarHBondContact O-CA 3.39Å; K239-T242 WeakPolarHBondContact O-CB 3.46Å; K239-T242 PolarHBondContact O-N 2.66Å; K239-K243 PolarHBondContact O-N 3.28Å | ||
| 240 | P | 91.7 | Very high | 94.2 | Very high | 104 Ų | 104 | 85 Ų | 85 | 68% | 0.675 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -52.5 | -38.5 | -178.8 | -29.6 | 35.1 | 0 | 0 | 0 | 114 | K243 R244 | P240-K243 PolarHBondContact O-N 2.79Å; P240-R244 WeakPolarHBondContact O-CB 3.47Å; P240-R244 PolarHBondContact O-N 2.78Å |
| 241 | K | 94.3 | Very high | 94.1 | Very high | 186 Ų | 186 | 89.2 Ų | 89.2 | 81% | 0.809 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 174.3 | -67.5 | -170.8 | 178.2 | -174.6 | 0 | 112.1 | K239 R244 Y245 | K239-K241 PolarHBondContact O-N 2.63Å; K239-K241 VanDerWaalsContact O-N 3.12Å; K241-R244 PolarHBondContact O-N 2.88Å; K241-Y245 WeakPolarHBondContact O-CB 3.28Å; K241-Y245 PolarHBondContact O-N 2.98Å |
| 242 | T | 93.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 91.3 Ų | 91.3 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 178 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | K239 R244 Y245 K246 | K239-T242 WeakPolarHBondContact O-CA 3.39Å; K239-T242 WeakPolarHBondContact O-CB 3.46Å; K239-T242 PolarHBondContact O-N 2.66Å; T242-R244 PolarHBondContact O-N 3.15Å; T242-Y245 PolarHBondContact O-N 3.09Å; T242-K246 WeakPolarHBondContact O-CG 3.5Å; T242-K246 PolarHBondContact O-N 3.2Å |
| 243 | K | 91.3 | Very high | 93.8 | Very high | 122 Ų | 122 | 93.6 Ų | 93.6 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.6 | -170 | 174.8 | -177.8 | 173.3 | 0 | 110.8 | Q238 K239 P240 K246 H247 | Q238-K243 HydrophobicContact CB-CB 4.33Å; K239-K243 PolarHBondContact O-N 3.28Å; P240-K243 PolarHBondContact O-N 2.79Å; K243-K246 PolarHBondContact O-N 2.96Å; K243-H247 WeakPolarHBondContact O-CB 2.95Å; K243-H247 PolarHBondContact O-N 3.32Å |
| 244 | R | 94.3 | Very high | 93.5 | Very high | 207 Ų | 207 | 95.8 Ų | 95.8 | 78% | 0.781 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 176.2 | -174.3 | 178.8 | 180 | -177.7 | 0.2 | 112.2 | P240 K241 T242 H247 W248 | P240-R244 WeakPolarHBondContact O-CB 3.47Å; P240-R244 PolarHBondContact O-N 2.78Å; K241-R244 PolarHBondContact O-N 2.88Å; T242-R244 PolarHBondContact O-N 3.15Å; R244-H247 PolarHBondContact O-N 3.47Å; R244-W248 WeakPolarHBondContact O-CB 3.21Å; R244-W248 PolarHBondContact O-N 2.71Å |
| 245 | Y | 95.6 | Very high | 93.1 | Very high | 132 Ų | 132 | 102.3 Ų | 102.3 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 178.2 | -179 | -111.6 | 0 | 0 | 0 | 112.2 | K241 T242 H247 W248 L249 | K241-Y245 WeakPolarHBondContact O-CB 3.28Å; K241-Y245 PolarHBondContact O-N 2.98Å; T242-Y245 PolarHBondContact O-N 3.09Å; Y245-H247 VanDerWaalsContact C-N 3.32Å; Y245-H247 PolarHBondContact O-N 2.69Å; Y245-W248 HydrophobicContact CD2-CE3 4.01Å; Y245-W248 HydrophobicContact CD2-CZ3 4.45Å; Y245-W248 AromaticContact CE2-CE3 3.81Å; Y245-W248 HydrophobicContact CE2-CE3 3.81Å; Y245-W248 AromaticContact CE2-CZ3 3.81Å; Y245-W248 HydrophobicContact CE2-CZ3 3.81Å; Y245-W248 WeakPolarHBondContact O-CB 3.13Å; Y245-W248 PolarHBondContact O-N 3.01Å; Y245-L249 HydrophobicContact CD1-CD1 4.01Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE1-CG 4.17Å; Y245-L249 HydrophobicContact CE2-CD1 4.48Å; Y245-L249 HydrophobicContact CE2-CG 4.32Å; Y245-L249 PolarHBondContact O-N 3.2Å |
| 246 | K | 93.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 104.4 Ų | 104.4 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.4 | -75 | -173.7 | 177 | -170.4 | 0 | 112.1 | T242 K243 L249 A250 | T242-K246 WeakPolarHBondContact O-CG 3.5Å; T242-K246 PolarHBondContact O-N 3.2Å; K243-K246 PolarHBondContact O-N 2.96Å; K246-L249 PolarHBondContact O-N 3.4Å; K246-A250 WeakPolarHBondContact O-CB 3.35Å; K246-A250 PolarHBondContact O-N 3.2Å |
| 247 | H | 93 | Very high | 92.1 | Very high | 115 Ų | 115 | 105.8 Ų | 105.8 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.5 | -174 | 68.4 | 0 | 0 | 0 | 112 | K243 R244 Y245 A250 Q251 | K243-H247 WeakPolarHBondContact O-CB 2.95Å; K243-H247 PolarHBondContact O-N 3.32Å; R244-H247 PolarHBondContact O-N 3.47Å; Y245-H247 VanDerWaalsContact C-N 3.32Å; Y245-H247 PolarHBondContact O-N 2.69Å; H247-A250 PolarHBondContact O-N 3.08Å; H247-Q251 PolarHBondContact CD2-NE2 3Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.28Å; H247-Q251 PolarHBondContact NE2-NE2 3.42Å; H247-Q251 WeakPolarHBondContact O-CG 3.32Å; H247-Q251 PolarHBondContact O-N 2.89Å |
| 248 | W | 94.5 | Very high | 91.1 | Very high | 125 Ų | 125 | 105 Ų | 105 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 175 | 175.4 | 81 | 0 | 0 | 0 | 112.1 | R244 Y245 A250 Q251 Q252 | R244-W248 WeakPolarHBondContact O-CB 3.21Å; R244-W248 PolarHBondContact O-N 2.71Å; Y245-W248 HydrophobicContact CD2-CE3 4.01Å; Y245-W248 HydrophobicContact CD2-CZ3 4.45Å; Y245-W248 AromaticContact CE2-CE3 3.81Å; Y245-W248 HydrophobicContact CE2-CE3 3.81Å; Y245-W248 AromaticContact CE2-CZ3 3.81Å; Y245-W248 HydrophobicContact CE2-CZ3 3.81Å; Y245-W248 WeakPolarHBondContact O-CB 3.13Å; Y245-W248 PolarHBondContact O-N 3.01Å; W248-A250 VanDerWaalsContact C-N 3.34Å; W248-A250 PolarHBondContact O-N 3.37Å; W248-Q251 PolarHBondContact O-N 3.3Å; W248-Q252 HydrophobicContact CD2-CG 4.36Å; W248-Q252 HydrophobicContact CZ2-CG 4.11Å; W248-Q252 WeakPolarHBondContact O-CG 3.28Å; W248-Q252 PolarHBondContact O-N 2.89Å |
| 249 | L | 95.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 107.6 Ų | 107.6 | 39% | 0.387 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59 | -43.7 | 174.5 | -74 | 175.7 | 0 | 0 | 0 | 112 | Y245 K246 Q251 Q252 A253 | Y245-L249 HydrophobicContact CD1-CD1 4.01Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE1-CG 4.17Å; Y245-L249 HydrophobicContact CE2-CD1 4.48Å; Y245-L249 HydrophobicContact CE2-CG 4.32Å; Y245-L249 PolarHBondContact O-N 3.2Å; K246-L249 PolarHBondContact O-N 3.4Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 2.93Å; L249-Q252 PolarHBondContact O-N 2.84Å; L249-A253 PolarHBondContact O-N 3.46Å |
| 250 | A | 94 | Very high | 88.8 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 49% | 0.488 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K246 H247 W248 A253 A254 | K246-A250 WeakPolarHBondContact O-CB 3.35Å; K246-A250 PolarHBondContact O-N 3.2Å; H247-A250 PolarHBondContact O-N 3.08Å; W248-A250 VanDerWaalsContact C-N 3.34Å; W248-A250 PolarHBondContact O-N 3.37Å; A250-A253 PolarHBondContact O-N 3.22Å; A250-A254 WeakPolarHBondContact O-CB 3.37Å; A250-A254 PolarHBondContact O-N 2.76Å |
| 251 | Q | 93.5 | Very high | 87.4 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 41% | 0.407 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 173.9 | -71.8 | -175 | 12.2 | 0 | 0 | 112.6 | H247 W248 L249 A254 K255 | H247-Q251 PolarHBondContact CD2-NE2 3Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.28Å; H247-Q251 PolarHBondContact NE2-NE2 3.42Å; H247-Q251 WeakPolarHBondContact O-CG 3.32Å; H247-Q251 PolarHBondContact O-N 2.89Å; W248-Q251 PolarHBondContact O-N 3.3Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 2.93Å; Q251-A254 PolarHBondContact O-N 3.31Å; Q251-K255 VanDerWaalsContact O-CG 3.3Å; Q251-K255 WeakPolarHBondContact O-CG 3.4Å; Q251-K255 PolarHBondContact O-N 3.23Å |
| 252 | Q | 92.9 | Very high | 85.7 | Confident | 79 Ų | 79 | 105.4 Ų | 105.4 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -44 | 176.4 | -64.4 | -59.1 | -23.4 | 0 | 0 | 111.3 | W248 L249 A254 K255 S256 | W248-Q252 HydrophobicContact CD2-CG 4.36Å; W248-Q252 HydrophobicContact CZ2-CG 4.11Å; W248-Q252 WeakPolarHBondContact O-CG 3.28Å; W248-Q252 PolarHBondContact O-N 2.89Å; L249-Q252 PolarHBondContact O-N 2.84Å; Q252-A254 PolarHBondContact O-N 3.24Å; Q252-K255 WeakPolarHBondContact O-CB 3.32Å; Q252-K255 PolarHBondContact O-N 3.04Å; Q252-S256 PolarHBondContact O-N 2.84Å; Q252-S256 PolarHBondContact O-OG 3.47Å |
| 253 | A | 93.1 | Very high | 84 | Confident | 51 Ų | 51 | 110.7 Ų | 110.7 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.8 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L249 A250 K255 S256 V257 | L249-A253 PolarHBondContact O-N 3.46Å; A250-A253 PolarHBondContact O-N 3.22Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.91Å; A253-S256 WeakPolarHBondContact CA-OG 3.32Å; A253-S256 PolarHBondContact O-N 3.17Å; A253-S256 PolarHBondContact O-OG 3.14Å; A253-V257 VanDerWaalsContact O-CG2 3.27Å; A253-V257 WeakPolarHBondContact O-CG2 3.48Å; A253-V257 PolarHBondContact O-N 3.42Å |
| 254 | A | 91.3 | Very high | 82 | Confident | 63 Ų | 63 | 109.5 Ų | 109.5 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.2 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A250 Q251 Q252 V257 A258 | A250-A254 WeakPolarHBondContact O-CB 3.37Å; A250-A254 PolarHBondContact O-N 2.76Å; Q251-A254 PolarHBondContact O-N 3.31Å; Q252-A254 PolarHBondContact O-N 3.24Å; A254-V257 PolarHBondContact O-N 3.45Å; A254-A258 PolarHBondContact O-N 3.15Å |
| 255 | K | 88.9 | Confident | 79.9 | Confident | 139 Ų | 139 | 110.1 Ų | 110.1 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.8 | -38.1 | 175.1 | -74.2 | 173.6 | -178.8 | -177.2 | 0 | 112.8 | Q251 Q252 A253 V257 | Q251-K255 VanDerWaalsContact O-CG 3.3Å; Q251-K255 WeakPolarHBondContact O-CG 3.4Å; Q251-K255 PolarHBondContact O-N 3.23Å; Q252-K255 WeakPolarHBondContact O-CB 3.32Å; Q252-K255 PolarHBondContact O-N 3.04Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.91Å; K255-V257 VanDerWaalsContact C-N 3.33Å |
| 256 | S | 85.4 | Confident | 79.1 | Confident | 98 Ų | 98 | 109 Ų | 109 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.3 | -26.2 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | Q252 A253 | Q252-S256 PolarHBondContact O-N 2.84Å; Q252-S256 PolarHBondContact O-OG 3.47Å; A253-S256 WeakPolarHBondContact CA-OG 3.32Å; A253-S256 PolarHBondContact O-N 3.17Å; A253-S256 PolarHBondContact O-OG 3.14Å |
| 257 | V | 83.4 | Confident | 78.4 | Confident | 115 Ų | 115 | 108.9 Ų | 108.9 | 70% | 0.697 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -89.3 | -19.6 | -179.8 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | A253 A254 K255 P259 | A253-V257 VanDerWaalsContact O-CG2 3.27Å; A253-V257 WeakPolarHBondContact O-CG2 3.48Å; A253-V257 PolarHBondContact O-N 3.42Å; A254-V257 PolarHBondContact O-N 3.45Å; K255-V257 VanDerWaalsContact C-N 3.33Å; V257-P259 VanDerWaalsContact O-CD 3.3Å; V257-P259 WeakPolarHBondContact O-CD 3.3Å; V257-P259 VanDerWaalsContact O-N 3.1Å |
| 258 | A | 72.3 | Confident | 77.6 | Confident | 60 Ų | 60 | 108.6 Ų | 108.6 | 50% | 0.496 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -58.7 | 115.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A254 T260 | A254-A258 PolarHBondContact O-N 3.15Å; A258-T260 PolarHBondContact O-N 3.13Å |
| 259 | P | 69.5 | Low | 76.6 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 122.7 | -175.8 | 25 | -32.2 | 0 | 0 | 0 | 109.5 | V257 N261 | V257-P259 VanDerWaalsContact O-CD 3.3Å; V257-P259 WeakPolarHBondContact O-CD 3.3Å; V257-P259 VanDerWaalsContact O-N 3.1Å; P259-N261 PolarHBondContact O-N 2.93Å | ||
| 260 | T | 63.1 | Low | 75.4 | Confident | 136 Ų | 136 | 109.8 Ų | 109.8 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | trans | -58.6 | 105.7 | 169.1 | -38.4 | 0 | 0 | 0 | 0 | 107.7 | A258 P262 | A258-T260 PolarHBondContact O-N 3.13Å; T260-P262 WeakPolarHBondContact O-CD 3.34Å; T260-P262 VanDerWaalsContact O-N 3.08Å | ||
| 261 | N | 63.2 | Low | 74.2 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | trans | -56.6 | 110.4 | -176.9 | -150.1 | 14.2 | 0 | 0 | 0 | 109.5 | P259 Q263 | P259-N261 PolarHBondContact O-N 2.93Å; N261-Q263 VanDerWaalsContact C-N 3.3Å; N261-Q263 PolarHBondContact O-N 3.38Å | ||
| 262 | P | 57.4 | Low | 72.8 | Confident | 120 Ų | 120 | 115 Ų | 115 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -89.1 | 69.8 | -175.4 | 33.8 | -28.4 | 0 | 0 | 0 | 109.5 | T260 | T260-P262 WeakPolarHBondContact O-CD 3.34Å; T260-P262 VanDerWaalsContact O-N 3.08Å | ||
| 263 | Q | 59 | Low | 71.2 | Confident | 174 Ų | 174 | 117.8 Ų | 117.8 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | -145.2 | 71.3 | 171.7 | -70 | -166.1 | -14.6 | 0 | 0 | 110.5 | N261 | N261-Q263 VanDerWaalsContact C-N 3.3Å; N261-Q263 PolarHBondContact O-N 3.38Å | ||
| 264 | A | 49.2 | Very low | 69.4 | Low | 98 Ų | 98 | 123.3 Ų | 123.3 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -167.4 | 73 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 265 | V | 50.6 | Low | 67.4 | Low | 219 Ų | 219 | 128.8 Ų | 128.8 | 100% | 1.327 | 78% | 0.779 | S | S | * | * | trans | -135.9 | 0 | 152.8 | -178.1 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 265 of 265 residues in 425 ms
(Link to these results)