| 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 | 46.8 | Very low | 32 | Very low | 240 Ų | 240 | 165.4 Ų | 165.4 | 100% | 1.182 | 89% | 0.886 | S | S | * | * | 0 | 89.8 | 0 | -68.2 | -75.1 | -175.7 | 0 | 0 | 106.7 | |||||
| 2 | P | 34.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 160.5 Ų | 160.5 | 89% | 0.89 | 89% | 0.886 | S | S | * | * | -145.6 | 161.6 | 90.9 | 30.2 | -9.1 | 0 | 0 | 0 | 114.4 | |||||
| 3 | G | 28.9 | Very low | 32.1 | Very low | 71 Ų | 71 | 162.2 Ų | 162.2 | 73% | 0.732 | 88% | 0.883 | S | S | * | * | trans | -100.2 | 144.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 4 | W | 30.2 | Very low | 31.9 | Very low | 254 Ų | 254 | 161.1 Ų | 161.1 | 96% | 0.962 | 88% | 0.884 | S | S | * | * | trans | 50.2 | 114.6 | 152.6 | -64.5 | -18.1 | 0 | 0 | 0 | 122.4 | ||||
| 5 | R | 25.8 | Very low | 32.1 | Very low | 249 Ų | 249 | 161.5 Ų | 161.5 | 94% | 0.94 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 133.9 | 149.9 | -74.4 | -177.3 | 174.1 | -153 | -1.4 | 108.8 | ||
| 6 | L | 29.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 156.5 Ų | 156.5 | 91% | 0.906 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 128.1 | 168.4 | -116.6 | 119 | 0 | 0 | 0 | 109.2 | ||
| 7 | L | 32.2 | Very low | 31.6 | Very low | 166 Ų | 166 | 162.1 Ų | 162.1 | 87% | 0.869 | 89% | 0.885 | S | S | * | * | P | Polyproline II helix | trans | -101 | 140 | 174.2 | -87.4 | 161 | 0 | 0 | 0 | 110.5 | ||
| 8 | T | 31.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 161.1 Ų | 161.1 | 75% | 0.748 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 152.4 | 178 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||
| 9 | Q | 29.3 | Very low | 31.6 | Very low | 188 Ų | 188 | 156.4 Ų | 156.4 | 88% | 0.879 | 88% | 0.877 | S | S | * | * | trans | 175.9 | 123.1 | 135.5 | -102.2 | 178.5 | -18.5 | 0 | 0 | 108.2 | ||||
| 10 | V | 33.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 157.2 Ų | 157.2 | 88% | 0.879 | 88% | 0.879 | S | S | * | * | 77.7 | 123.4 | 58.5 | -179.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 11 | G | 30.2 | Very low | 31.2 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 76% | 0.763 | 87% | 0.868 | S | S | * | * | trans | 106.9 | 141.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 12 | A | 29.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 88% | 0.884 | 86% | 0.86 | S | S | * | * | cis | -167 | 161.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | Q | 34.9 | Very low | 30.1 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 85% | 0.85 | 85% | 0.852 | S | S | * | * | trans | -72.5 | 151.2 | 171.4 | -133.1 | 172.4 | -12.7 | 0 | 0 | 111.3 | ||||
| 14 | V | 28.9 | Very low | 30.2 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 89% | 0.891 | 86% | 0.858 | S | S | * | * | trans | -166.8 | 137.7 | 138.3 | 164.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 15 | L | 35.9 | Very low | 30.2 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 88% | 0.88 | 85% | 0.853 | S | S | * | * | trans | -71.7 | 146.6 | 173.1 | -82.9 | 131.6 | 0 | 0 | 0 | 113.6 | ||||
| 16 | G | 28.2 | Very low | 30.3 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | trans | -126.6 | 127.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 17 | R | 27 | Very low | 30.3 | Very low | 252 Ų | 252 | 135.5 Ų | 135.5 | 95% | 0.951 | 85% | 0.846 | S | S | * | * | trans | -93.7 | 154.2 | -173.6 | -159 | -178.7 | -172.4 | -177 | 1.1 | 110.9 | ||||
| 18 | V | 34.3 | Very low | 30.5 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 85% | 0.849 | S | S | * | * | trans | -67.5 | 148.9 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 19 | G | 28.6 | Very low | 30.5 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 85% | 0.849 | S | S | * | * | trans | 178.3 | 126.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 20 | D | 28.6 | Very low | 31 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 91% | 0.914 | 85% | 0.85 | S | S | * | * | trans | -65.2 | 160.3 | -170.8 | -69.1 | -61.3 | 0 | 0 | 0 | 117.6 | ||||
| 21 | G | 27.1 | Very low | 31.1 | Very low | 64 Ų | 64 | 134.6 Ų | 134.6 | 66% | 0.66 | 85% | 0.847 | S | S | * | * | trans | 154 | 123.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 22 | L | 30 | Very low | 31.9 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 100% | 1 | 85% | 0.849 | S | S | * | * | trans | 75.9 | 137.1 | 158.3 | -54.1 | 154.6 | 0 | 0 | 0 | 115.6 | ||||
| 23 | G | 28.9 | Very low | 31.9 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | cis | 154.8 | 125.5 | 9.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 24 | A | 29.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 138 Ų | 138 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | 34.3 | 124.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 25 | A | 30.7 | Very low | 31.9 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | 160.7 | 133 | 106.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 26 | F | 28.1 | Very low | 31.5 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 98% | 0.982 | 83% | 0.826 | S | S | * | * | trans | -88 | 140.5 | 173.8 | -93.8 | -96 | 0 | 0 | 0 | 111.3 | ||||
| 27 | G | 30.2 | Very low | 31.5 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | -156.8 | 130.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | P | 35.9 | Very low | 31.9 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -91.7 | 129.7 | -176.6 | 34.4 | -28.7 | 0 | 0 | 0 | 110.5 | ||||
| 29 | G | 32.4 | Very low | 31.7 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -162.7 | 99.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R31 | G29-R31 PolarHBondContact O-N 3.32Š| ||
| 30 | N | 39.4 | Very low | 32.1 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -62.5 | 111.2 | -178.1 | -158.8 | 10.5 | 0 | 0 | 0 | 111.3 | ||||
| 31 | R | 35.5 | Very low | 32.8 | Very low | 217 Ų | 217 | 140.4 Ų | 140.4 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | -139.6 | 120.7 | 161.6 | -82.6 | -168.5 | 168.7 | 179.1 | -3.3 | 110.8 | G29 H33 | G29-R31 PolarHBondContact O-N 3.32Å; R31-H33 PolarHBondContact O-N 3.14Å; R31-H33 VanDerWaalsContact O-N 3.15Å | ||
| 32 | T | 46.5 | Very low | 33.9 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -44.8 | 106.2 | 169.8 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 33 | H | 30.9 | Very low | 35.1 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -117.4 | 100.7 | 157.2 | -74.4 | -78.8 | 0 | 0 | 0 | 107.3 | R31 W35 | R31-H33 PolarHBondContact O-N 3.14Å; R31-H33 VanDerWaalsContact O-N 3.15Å; H33-W35 PolarHBondContact O-N 3.03Å | ||
| 34 | I | 33.3 | Very low | 37.2 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 97.4 | 159.5 | -66 | 167.7 | 0 | 0 | 0 | 104.8 | L36 | I34-L36 HydrophobicContact CG2-CG 4.44Å; I34-L36 PolarHBondContact O-N 2.89Å | ||
| 35 | W | 29.9 | Very low | 39.8 | Very low | 206 Ų | 206 | 143.9 Ų | 143.9 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 91 | 163.6 | -75.4 | 84.7 | 0 | 0 | 0 | 106.1 | H33 F37 | H33-W35 PolarHBondContact O-N 3.03Å; W35-F37 HydrophobicContact CB-CD2 4.14Å; W35-F37 HydrophobicContact CB-CE2 4.34Å; W35-F37 PolarHBondContact O-N 3.49Å | ||
| 36 | L | 27.6 | Very low | 42.6 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -60.1 | 86.7 | 150.1 | -90.7 | 152.6 | 0 | 0 | 0 | 105.5 | I34 V38 | I34-L36 HydrophobicContact CG2-CG 4.44Å; I34-L36 PolarHBondContact O-N 2.89Å; L36-V38 PolarHBondContact O-N 2.82Å | ||
| 37 | F | 28.3 | Very low | 45.7 | Very low | 166 Ų | 166 | 136 Ų | 136 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | -57.7 | 93.5 | 153 | -90.6 | -86.4 | 0 | 0 | 0 | 105.1 | W35 R39 | W35-F37 HydrophobicContact CB-CD2 4.14Å; W35-F37 HydrophobicContact CB-CE2 4.34Å; W35-F37 PolarHBondContact O-N 3.49Å; F37-R39 PolarHBondContact O-N 3.24Å | ||
| 38 | V | 33.9 | Very low | 48.7 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -63.8 | 86.1 | 149.9 | -178 | 0 | 0 | 0 | 0 | 103.7 | L36 S40 | L36-V38 PolarHBondContact O-N 2.82Å; V38-S40 PolarHBondContact O-N 2.61Å | ||
| 39 | R | 31.6 | Very low | 51.6 | Low | 213 Ų | 213 | 136.8 Ų | 136.8 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -55.7 | 100.4 | 156.1 | -85.9 | -173.5 | 174 | -173.2 | -0.4 | 103.5 | F37 I41 | F37-R39 PolarHBondContact O-N 3.24Å; R39-I41 VanDerWaalsContact C-N 3.27Å; R39-I41 PolarHBondContact O-N 3.5Å | ||
| 40 | S | 36 | Very low | 54.5 | Low | 74 Ų | 74 | 136.3 Ų | 136.3 | 52% | 0.517 | 69% | 0.689 | S | S | . | * | trans | -57.5 | 107.4 | 160 | 178.8 | 0 | 0 | 0 | 0 | 105.1 | V38 H42 | V38-S40 PolarHBondContact O-N 2.61Å; S40-H42 VanDerWaalsContact CB-CE1 3.47Å; S40-H42 WeakPolarHBondContact CB-CE1 3.33Å; S40-H42 WeakPolarHBondContact CB-ND1 3.25Å; S40-H42 PolarHBondContact O-N 3.16Å; S40-H42 PolarHBondContact O-ND1 2.59Å; S40-H42 PolarHBondContact OG-CE1 3.37Å; S40-H42 PolarHBondContact OG-ND1 3.31Å | ||
| 41 | I | 44.4 | Very low | 57.1 | Low | 154 Ų | 154 | 131.7 Ų | 131.7 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | trans | -68.4 | 80.8 | 169 | -58.6 | 174.7 | 0 | 0 | 0 | 104.6 | R39 G43 | R39-I41 VanDerWaalsContact C-N 3.27Å; R39-I41 PolarHBondContact O-N 3.5Å; I41-G43 PolarHBondContact O-N 3.18Å | ||
| 42 | H | 50.2 | Low | 59.9 | Low | 154 Ų | 154 | 128.7 Ų | 128.7 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | trans | -70.5 | 47.6 | 155.4 | -68.6 | 89.3 | 0 | 0 | 0 | 108.4 | S40 K44 | S40-H42 VanDerWaalsContact CB-CE1 3.47Å; S40-H42 WeakPolarHBondContact CB-CE1 3.33Å; S40-H42 WeakPolarHBondContact CB-ND1 3.25Å; S40-H42 PolarHBondContact O-N 3.16Å; S40-H42 PolarHBondContact O-ND1 2.59Å; S40-H42 PolarHBondContact OG-CE1 3.37Å; S40-H42 PolarHBondContact OG-ND1 3.31Å; H42-K44 PolarHBondContact O-N 3.26Å | ||
| 43 | G | 54.9 | Low | 62.2 | Low | 56 Ų | 56 | 125.1 Ų | 125.1 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | trans | -83.8 | 66.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I41 S45 | I41-G43 PolarHBondContact O-N 3.18Å; G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 2.99Å | ||
| 44 | K | 73.1 | Confident | 65.3 | Low | 194 Ų | 194 | 120.8 Ų | 120.8 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | trans | -73.6 | 88.1 | 171 | -66.1 | -178.1 | -179.1 | -180 | 0 | 107.8 | H42 | H42-K44 PolarHBondContact O-N 3.26Š| ||
| 45 | S | 83.8 | Confident | 68.3 | Low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -63.3 | 134.7 | 166.9 | 51 | 0 | 0 | 0 | 0 | 108.6 | G43 | G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 2.99Å | ||
| 46 | G | 89.3 | Confident | 71.5 | Confident | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | trans | -64.2 | 141.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 47 | T | 93.4 | Very high | 74.8 | Confident | 91 Ų | 91 | 116.6 Ų | 116.6 | 56% | 0.558 | 60% | 0.603 | S | S | * | * | trans | -120 | 160.7 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 111 | E51 | T47-E51 WeakPolarHBondContact CA-OE2 3.41Å; T47-E51 WeakPolarHBondContact CB-OE2 3.29Å; T47-E51 PolarHBondContact OG1-OE2 2.72Å | ||
| 48 | W | 93.2 | Very high | 78 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | trans | -121.9 | 162.4 | 171 | 56 | 82.4 | 0 | 0 | 0 | 111.2 | D50 E51 | W48-D50 PolarHBondContact O-N 3.16Å; W48-D50 VanDerWaalsContact O-N 3.11Å; W48-E51 HydrophobicContact CD2-CB 4.12Å; W48-E51 HydrophobicContact CD2-CG 4.42Å; W48-E51 HydrophobicContact CG-CB 4.18Å; W48-E51 HydrophobicContact CH2-CG 4.32Å; W48-E51 HydrophobicContact CZ2-CB 4.22Å; W48-E51 HydrophobicContact CZ2-CG 3.81Å; W48-E51 PolarHBondContact N-OE2 3.09Å; W48-E51 WeakPolarHBondContact O-CB 3.27Å; W48-E51 PolarHBondContact O-N 2.87Å; W48-E51 VanDerWaalsContact O-N 3.16Å | ||
| 49 | W | 95.3 | Very high | 81 | Confident | 73 Ų | 73 | 107.9 Ų | 107.9 | 28% | 0.277 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -28.8 | -165.6 | 77.9 | -75.8 | 0 | 0 | 0 | 114.9 | L53 V58 I61 K62 F155 | W49-L53 HydrophobicContact CE3-CD1 3.85Å; W49-L53 HydrophobicContact CZ3-CD1 3.62Å; W49-V58 HydrophobicContact CH2-CG1 4.28Å; W49-I61 HydrophobicContact CE3-CG2 4.24Å; W49-I61 HydrophobicContact CZ3-CB 4.28Å; W49-I61 HydrophobicContact CZ3-CG2 3.75Å; W49-K62 HydrophobicContact CH2-CG 3.99Å; W49-F155 HydrophobicContact CB-CB 3.97Å; W49-F155 HydrophobicContact CB-CD1 3.63Å; W49-F155 HydrophobicContact CB-CE1 4.31Å; W49-F155 HydrophobicContact CB-CG 3.9Å; W49-F155 HydrophobicContact CD2-CB 4.4Å; W49-F155 AromaticContact CD2-CD1 3.99Å; W49-F155 HydrophobicContact CD2-CD1 3.99Å; W49-F155 AromaticContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.02Å; W49-F155 AromaticContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CZ 4.18Å; W49-F155 HydrophobicContact CE3-CD1 4.16Å; W49-F155 HydrophobicContact CE3-CD2 4.2Å; W49-F155 AromaticContact CE3-CE1 3.87Å; W49-F155 HydrophobicContact CE3-CE1 3.87Å; W49-F155 AromaticContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CG 4.32Å; W49-F155 AromaticContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CG-CB 3.72Å; W49-F155 AromaticContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD2 4.05Å; W49-F155 HydrophobicContact CG-CE1 4.37Å; W49-F155 AromaticContact CG-CG 3.58Å; W49-F155 HydrophobicContact CG-CG 3.58Å; W49-F155 HydrophobicContact CZ3-CE2 4.17Å; W49-F155 HydrophobicContact CZ3-CZ 4.12Å |
| 50 | D | 94.2 | Very high | 84.2 | Confident | 65 Ų | 65 | 103.7 Ų | 103.7 | 35% | 0.348 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.8 | 11.3 | -178.4 | 53.9 | -33.2 | 0 | 0 | 0 | 114.7 | W48 H52 L53 | W48-D50 PolarHBondContact O-N 3.16Å; W48-D50 VanDerWaalsContact O-N 3.11Å; D50-H52 VanDerWaalsContact C-N 3.34Å; D50-H52 PolarHBondContact O-N 3.18Å; D50-L53 HydrophobicContact CB-CD1 4.27Å |
| 51 | E | 94.4 | Very high | 87.1 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.3 | -178.4 | -169 | 179.2 | 167.1 | 0 | 0 | 113.6 | T47 W48 | T47-E51 WeakPolarHBondContact CA-OE2 3.41Å; T47-E51 WeakPolarHBondContact CB-OE2 3.29Å; T47-E51 PolarHBondContact OG1-OE2 2.72Å; W48-E51 HydrophobicContact CD2-CB 4.12Å; W48-E51 HydrophobicContact CD2-CG 4.42Å; W48-E51 HydrophobicContact CG-CB 4.18Å; W48-E51 HydrophobicContact CH2-CG 4.32Å; W48-E51 HydrophobicContact CZ2-CB 4.22Å; W48-E51 HydrophobicContact CZ2-CG 3.81Å; W48-E51 PolarHBondContact N-OE2 3.09Å; W48-E51 WeakPolarHBondContact O-CB 3.27Å; W48-E51 PolarHBondContact O-N 2.87Å; W48-E51 VanDerWaalsContact O-N 3.16Å |
| 52 | H | 94 | Very high | 89.5 | Confident | 153 Ų | 153 | 100.4 Ų | 100.4 | 71% | 0.708 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 15.2 | -173.1 | -54.1 | -44.6 | 0 | 0 | 0 | 113 | D50 | D50-H52 VanDerWaalsContact C-N 3.34Å; D50-H52 PolarHBondContact O-N 3.18Å |
| 53 | L | 95.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 98 Ų | 98 | 29% | 0.293 | 51% | 0.514 | S | S | . | . | trans | -92.3 | 140 | 178.7 | -63.9 | -180 | 0 | 0 | 0 | 110.6 | W49 D50 N57 V58 I61 | W49-L53 HydrophobicContact CE3-CD1 3.85Å; W49-L53 HydrophobicContact CZ3-CD1 3.62Å; D50-L53 HydrophobicContact CB-CD1 4.27Å; L53-N57 HydrophobicContact CB-CB 4.38Å; L53-N57 HydrophobicContact CD2-CB 4.3Å; L53-V58 HydrophobicContact CB-CG2 3.81Å; L53-V58 HydrophobicContact CD1-CG2 4.32Å; L53-I61 HydrophobicContact CD1-CG1 4.4Å | ||
| 54 | S | 95.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 99.6 Ų | 99.6 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | trans | -70.8 | 162 | 168.3 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | E56 N57 V58 | S54-E56 PolarHBondContact O-N 3.31Å; S54-N57 PolarHBondContact O-N 2.89Å; S54-N57 WeakPolarHBondContact OG-CB 3.38Å; S54-N57 PolarHBondContact OG-N 2.87Å; S54-N57 PolarHBondContact OG-ND2 2.92Å; S54-V58 PolarHBondContact O-N 3.49Å | ||
| 55 | E | 95.9 | Very high | 94.9 | Very high | 185 Ų | 185 | 91.3 Ų | 91.3 | 86% | 0.864 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.4 | 178 | -62.1 | -170.7 | 171.6 | 0 | 0 | 112.8 | P59 | E55-P59 WeakPolarHBondContact O-CD 3.46Š|
| 56 | E | 96.3 | Very high | 95.5 | Very high | 161 Ų | 161 | 88.4 Ų | 88.4 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -35.4 | 177 | -61.9 | 173.4 | -174.7 | 0 | 0 | 112.5 | S54 P59 | S54-E56 PolarHBondContact O-N 3.31Å; E56-P59 WeakPolarHBondContact O-CD 3.49Å; E56-P59 WeakPolarHBondContact O-CG 3.11Å |
| 57 | N | 96.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 88.5 Ų | 88.5 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.2 | -30.4 | -175.2 | -72 | -11.9 | 0 | 0 | 0 | 112.9 | L53 S54 F60 I61 | L53-N57 HydrophobicContact CB-CB 4.38Å; L53-N57 HydrophobicContact CD2-CB 4.3Å; S54-N57 PolarHBondContact O-N 2.89Å; S54-N57 WeakPolarHBondContact OG-CB 3.38Å; S54-N57 PolarHBondContact OG-N 2.87Å; S54-N57 PolarHBondContact OG-ND2 2.92Å; N57-F60 PolarHBondContact O-N 3.5Å; N57-I61 WeakPolarHBondContact O-CG1 3.25Å; N57-I61 PolarHBondContact O-N 3.43Å |
| 58 | V | 96.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 87.8 Ų | 87.8 | 19% | 0.194 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.2 | -52.5 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 113.2 | W49 L53 S54 K62 | W49-V58 HydrophobicContact CH2-CG1 4.28Å; L53-V58 HydrophobicContact CB-CG2 3.81Å; L53-V58 HydrophobicContact CD1-CG2 4.32Å; S54-V58 PolarHBondContact O-N 3.49Å; V58-K62 HydrophobicContact CG1-CD 4.33Å; V58-K62 WeakPolarHBondContact O-CG 2.99Å; V58-K62 PolarHBondContact O-N 3.38Å |
| 59 | P | 97.3 | Very high | 96.3 | Very high | 77 Ų | 77 | 81.5 Ų | 81.5 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 177.8 | 25.6 | -33.5 | 0 | 0 | 0 | 112.1 | E55 E56 K62 Q63 | E55-P59 WeakPolarHBondContact O-CD 3.46Å; E56-P59 WeakPolarHBondContact O-CD 3.49Å; E56-P59 WeakPolarHBondContact O-CG 3.11Å; P59-K62 PolarHBondContact O-N 3.27Å; P59-Q63 WeakPolarHBondContact O-CB 3.49Å; P59-Q63 PolarHBondContact O-N 3.46Å |
| 60 | F | 97.7 | Very high | 96.3 | Very high | 125 Ų | 125 | 83.9 Ų | 83.9 | 55% | 0.548 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 177.1 | 171.6 | -102.4 | 0 | 0 | 0 | 112 | N57 K62 Q63 L64 | N57-F60 PolarHBondContact O-N 3.5Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.5Å; F60-Q63 PolarHBondContact O-N 3.38Å; F60-L64 HydrophobicContact CE1-CD2 4.36Å; F60-L64 HydrophobicContact CZ-CD2 4.49Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.03Å |
| 61 | I | 97.1 | Very high | 96.5 | Very high | 44 Ų | 44 | 83.8 Ų | 83.8 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 179.9 | -66.9 | -64 | 0 | 0 | 0 | 111.5 | W49 L53 N57 V65 F155 | W49-I61 HydrophobicContact CE3-CG2 4.24Å; W49-I61 HydrophobicContact CZ3-CB 4.28Å; W49-I61 HydrophobicContact CZ3-CG2 3.75Å; L53-I61 HydrophobicContact CD1-CG1 4.4Å; N57-I61 WeakPolarHBondContact O-CG1 3.25Å; N57-I61 PolarHBondContact O-N 3.43Å; I61-V65 WeakPolarHBondContact O-CB 3.25Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.33Å; I61-F155 HydrophobicContact CG2-CZ 3.85Å |
| 62 | K | 95.9 | Very high | 96.5 | Very high | 115 Ų | 115 | 82.4 Ų | 82.4 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.8 | -74.9 | 174.2 | -179 | 171.5 | 0 | 111.7 | W49 V58 P59 F60 S66 | W49-K62 HydrophobicContact CH2-CG 3.99Å; V58-K62 HydrophobicContact CG1-CD 4.33Å; V58-K62 WeakPolarHBondContact O-CG 2.99Å; V58-K62 PolarHBondContact O-N 3.38Å; P59-K62 PolarHBondContact O-N 3.27Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.5Å; K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.17Å; K62-S66 PolarHBondContact O-N 3.38Å |
| 63 | Q | 97.6 | Very high | 96.5 | Very high | 105 Ų | 105 | 76.8 Ų | 76.8 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 178.8 | -173 | 62.4 | 26.2 | 0 | 0 | 111 | P59 F60 V65 S66 D67 | P59-Q63 WeakPolarHBondContact O-CB 3.49Å; P59-Q63 PolarHBondContact O-N 3.46Å; F60-Q63 PolarHBondContact O-N 3.38Å; Q63-V65 PolarHBondContact O-N 3.02Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 3.41Å; Q63-S66 VanDerWaalsContact O-N 3.16Å; Q63-D67 WeakPolarHBondContact CG-OD2 2.97Å; Q63-D67 VanDerWaalsContact NE2-CG 3.32Å; Q63-D67 PolarHBondContact NE2-OD1 3.36Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.12Å; Q63-D67 PolarHBondContact NE2-OD2 3.18Å; Q63-D67 VanDerWaalsContact O-CG 3.29Å; Q63-D67 PolarHBondContact O-N 2.96Å |
| 64 | L | 97.7 | Very high | 96.5 | Very high | 88 Ų | 88 | 76.8 Ų | 76.8 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.6 | -49.5 | 177.9 | -177.4 | 69.3 | 0 | 0 | 0 | 111.8 | F60 D67 E68 | F60-L64 HydrophobicContact CE1-CD2 4.36Å; F60-L64 HydrophobicContact CZ-CD2 4.49Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.03Å; L64-D67 PolarHBondContact O-N 3.12Å; L64-E68 WeakPolarHBondContact O-CB 3.49Å; L64-E68 PolarHBondContact O-N 3.44Å |
| 65 | V | 96.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 77.2 Ų | 77.2 | 13% | 0.127 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | I61 Q63 D67 D69 R154 F155 | I61-V65 WeakPolarHBondContact O-CB 3.25Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.33Å; Q63-V65 PolarHBondContact O-N 3.02Å; V65-D67 VanDerWaalsContact C-N 3.34Å; V65-D67 PolarHBondContact O-N 2.68Å; V65-D69 WeakPolarHBondContact O-CB 3.33Å; V65-D69 VanDerWaalsContact O-CG 3.25Å; V65-D69 PolarHBondContact O-N 2.92Å; V65-R154 HydrophobicContact CG1-CG 4.16Å; V65-F155 HydrophobicContact CG2-CZ 3.86Å |
| 66 | S | 96.3 | Very high | 96.3 | Very high | 40 Ų | 40 | 71.2 Ų | 71.2 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.3 | 159.4 | 0 | 0 | 0 | 0 | 111.7 | K62 Q63 D69 K70 | K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.17Å; K62-S66 PolarHBondContact O-N 3.38Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 3.41Å; Q63-S66 VanDerWaalsContact O-N 3.16Å; S66-D69 PolarHBondContact O-N 2.78Å; S66-K70 VanDerWaalsContact O-CG 3.32Å; S66-K70 WeakPolarHBondContact O-CG 3.42Å; S66-K70 PolarHBondContact O-N 3.4Å |
| 67 | D | 97.7 | Very high | 96 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.5 | -36.1 | -177.4 | -65.3 | -21.2 | 0 | 0 | 0 | 111.4 | Q63 L64 V65 K70 A71 | Q63-D67 WeakPolarHBondContact CG-OD2 2.97Å; Q63-D67 VanDerWaalsContact NE2-CG 3.32Å; Q63-D67 PolarHBondContact NE2-OD1 3.36Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.12Å; Q63-D67 PolarHBondContact NE2-OD2 3.18Å; Q63-D67 VanDerWaalsContact O-CG 3.29Å; Q63-D67 PolarHBondContact O-N 2.96Å; L64-D67 PolarHBondContact O-N 3.12Å; V65-D67 VanDerWaalsContact C-N 3.34Å; V65-D67 PolarHBondContact O-N 2.68Å; D67-K70 PolarHBondContact O-N 3.03Å; D67-K70 IonicContact OD1-NZ 3.69Å; D67-A71 WeakPolarHBondContact O-CB 3.29Å; D67-A71 PolarHBondContact O-N 3.03Å |
| 68 | E | 97.4 | Very high | 95.7 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 170.1 | -165.7 | -161.6 | 134.3 | 0 | 0 | 111.7 | L64 K70 A71 Q72 R154 | L64-E68 WeakPolarHBondContact O-CB 3.49Å; L64-E68 PolarHBondContact O-N 3.44Å; E68-K70 VanDerWaalsContact C-N 3.34Å; E68-K70 PolarHBondContact O-N 2.68Å; E68-A71 PolarHBondContact O-N 3.23Å; E68-Q72 WeakPolarHBondContact O-CB 3.5Å; E68-Q72 WeakPolarHBondContact O-CG 3.33Å; E68-Q72 PolarHBondContact O-N 2.83Å; E68-Q72 PolarHBondContact OE1-NE2 3.3Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 3.61Å; E68-R154 PolarHBondContact OE1-NH1 2.85Å; E68-R154 IonicContact OE1-NH2 3.51Å; E68-R154 PolarHBondContact OE1-NH2 3.14Å; E68-R154 IonicContact OE2-CZ 2.64Å; E68-R154 IonicContact OE2-NH1 2.78Å; E68-R154 PolarHBondContact OE2-NH1 3.18Å; E68-R154 IonicContact OE2-NH2 3.43Å |
| 69 | D | 96.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.5 | -76.3 | -9.6 | 0 | 0 | 0 | 111 | V65 S66 Q72 L73 R154 P171 | V65-D69 WeakPolarHBondContact O-CB 3.33Å; V65-D69 VanDerWaalsContact O-CG 3.25Å; V65-D69 PolarHBondContact O-N 2.92Å; S66-D69 PolarHBondContact O-N 2.78Å; D69-Q72 PolarHBondContact O-N 2.92Å; D69-L73 WeakPolarHBondContact O-CB 3.21Å; D69-L73 VanDerWaalsContact O-CG 3.26Å; D69-L73 WeakPolarHBondContact O-CG 3.34Å; D69-L73 PolarHBondContact O-N 2.99Å; D69-R154 IonicContact OD1-CZ 2.94Å; D69-R154 IonicContact OD1-NE 3.04Å; D69-R154 IonicContact OD1-NH2 3.46Å; D69-R154 PolarHBondContact OD1-NH2 2.9Å; D69-P171 HydrophobicContact CB-CB 4.35Å; D69-P171 WeakPolarHBondContact OD1-CB 3.49Å |
| 70 | K | 96.3 | Very high | 95.1 | Very high | 123 Ų | 123 | 63.8 Ų | 63.8 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.2 | -72 | 171.4 | -168.3 | 166.4 | 0 | 111.8 | S66 D67 E68 L73 A74 | S66-K70 VanDerWaalsContact O-CG 3.32Å; S66-K70 WeakPolarHBondContact O-CG 3.42Å; S66-K70 PolarHBondContact O-N 3.4Å; D67-K70 PolarHBondContact O-N 3.03Å; D67-K70 IonicContact OD1-NZ 3.69Å; E68-K70 VanDerWaalsContact C-N 3.34Å; E68-K70 PolarHBondContact O-N 2.68Å; K70-L73 PolarHBondContact O-N 3.46Å; K70-A74 VanDerWaalsContact O-CB 3.3Å; K70-A74 WeakPolarHBondContact O-CB 3.5Å; K70-A74 PolarHBondContact O-N 3.23Å |
| 71 | A | 96.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D67 E68 A74 S75 | D67-A71 WeakPolarHBondContact O-CB 3.29Å; D67-A71 PolarHBondContact O-N 3.03Å; E68-A71 PolarHBondContact O-N 3.23Å; A71-A74 PolarHBondContact O-N 3.2Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 3.15Å |
| 72 | Q | 95 | Very high | 94.4 | Very high | 42 Ų | 42 | 66.9 Ų | 66.9 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.3 | -75.2 | 175.2 | -1 | 0 | 0 | 111.8 | E68 D69 S75 K76 | E68-Q72 WeakPolarHBondContact O-CB 3.5Å; E68-Q72 WeakPolarHBondContact O-CG 3.33Å; E68-Q72 PolarHBondContact O-N 2.83Å; E68-Q72 PolarHBondContact OE1-NE2 3.3Å; D69-Q72 PolarHBondContact O-N 2.92Å; Q72-S75 PolarHBondContact O-N 2.92Å; Q72-S75 PolarHBondContact O-OG 2.99Å; Q72-K76 WeakPolarHBondContact O-CG 3.36Å; Q72-K76 PolarHBondContact O-N 3.16Å |
| 73 | L | 94.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.3 | -69.5 | 173 | 0 | 0 | 0 | 111.9 | D69 K70 S75 K76 L170 P171 | D69-L73 WeakPolarHBondContact O-CB 3.21Å; D69-L73 VanDerWaalsContact O-CG 3.26Å; D69-L73 WeakPolarHBondContact O-CG 3.34Å; D69-L73 PolarHBondContact O-N 2.99Å; K70-L73 PolarHBondContact O-N 3.46Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.37Å; L73-K76 PolarHBondContact O-N 2.86Å; L73-L170 HydrophobicContact CD2-CD2 4.17Å; L73-P171 HydrophobicContact CD1-CG 4.29Å; L73-P171 HydrophobicContact CD2-CG 3.85Å; L73-P171 HydrophobicContact CG-CG 3.96Å |
| 74 | A | 94.6 | Very high | 94 | Very high | 56 Ų | 56 | 66.7 Ų | 66.7 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K70 A71 K76 L77 | K70-A74 VanDerWaalsContact O-CB 3.3Å; K70-A74 WeakPolarHBondContact O-CB 3.5Å; K70-A74 PolarHBondContact O-N 3.23Å; A71-A74 PolarHBondContact O-N 3.2Å; A74-K76 PolarHBondContact O-N 3.46Å; A74-L77 WeakPolarHBondContact O-CB 3.34Å; A74-L77 PolarHBondContact O-N 3.36Å |
| 75 | S | 94.1 | Very high | 93.8 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 46% | 0.462 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -24.4 | 178.1 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | A71 Q72 L73 | A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 3.15Å; Q72-S75 PolarHBondContact O-N 2.92Å; Q72-S75 PolarHBondContact O-OG 2.99Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.37Å |
| 76 | K | 93.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 3 | -177.3 | -60.9 | -61.5 | 177.7 | -171.8 | 0 | 113.8 | Q72 L73 A74 C78 L170 P192 | Q72-K76 WeakPolarHBondContact O-CG 3.36Å; Q72-K76 PolarHBondContact O-N 3.16Å; L73-K76 PolarHBondContact O-N 2.86Å; A74-K76 PolarHBondContact O-N 3.46Å; K76-C78 PolarHBondContact O-N 3.48Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.85Å; K76-L170 HydrophobicContact CG-CG 4.42Å; K76-P192 WeakPolarHBondContact O-CD 3.47Å; K76-P192 WeakPolarHBondContact O-CG 3.43Å |
| 77 | L | 91.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 42% | 0.424 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -68.6 | -20.6 | -179.1 | -71 | 174.4 | 0 | 0 | 0 | 113.7 | A74 P79 Y194 | A74-L77 WeakPolarHBondContact O-CB 3.34Å; A74-L77 PolarHBondContact O-N 3.36Å; L77-P79 WeakPolarHBondContact O-CD 3.47Å; L77-Y194 WeakPolarHBondContact CD2-OH 3.37Å |
| 78 | C | 90.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 75 Ų | 75 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | trans | -107.9 | 57.7 | -171.9 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | K76 L80 K81 D82 D322 | K76-C78 PolarHBondContact O-N 3.48Å; C78-L80 VanDerWaalsContact C-N 3.27Å; C78-L80 PolarHBondContact O-N 3.18Å; C78-L80 VanDerWaalsContact O-N 3.16Å; C78-K81 HydrophobicContact CB-CD 4.39Å; C78-K81 PolarHBondContact O-N 3.35Å; C78-D82 PolarHBondContact O-N 3.14Å; C78-D322 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 79 | P | 90.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 75.8 Ų | 75.8 | 8% | 0.078 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.5 | -169.8 | 27.1 | -38.3 | 0 | 0 | 0 | 115.2 | L77 K81 T191 P192 F320 D322 | L77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-K81 VanDerWaalsContact C-N 3.33Å; P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.17Å; P79-P192 HydrophobicContact CG-CG 4.12Å; P79-F320 HydrophobicContact CG-CD1 3.95Å; P79-F320 HydrophobicContact CG-CE1 4.27Å; P79-D322 VanDerWaalsContact CD-OD2 3.25Å; P79-D322 WeakPolarHBondContact CD-OD2 3.29Å |
| 80 | L | 90.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 77.7 Ų | 77.7 | 25% | 0.246 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -21.3 | -179.4 | -69.6 | -178.6 | 0 | 0 | 0 | 113.3 | C78 P84 I87 F320 D322 G323 | C78-L80 VanDerWaalsContact C-N 3.27Å; C78-L80 PolarHBondContact O-N 3.18Å; C78-L80 VanDerWaalsContact O-N 3.16Å; L80-P84 HydrophobicContact CD2-CB 4.42Å; L80-P84 VanDerWaalsContact O-CD 3.25Å; L80-P84 WeakPolarHBondContact O-CD 3.45Å; L80-P84 WeakPolarHBondContact O-CG 3.35Å; L80-I87 HydrophobicContact CD2-CD1 4.3Å; L80-F320 HydrophobicContact CD1-CB 3.65Å; L80-F320 HydrophobicContact CD1-CD1 4.47Å; L80-F320 HydrophobicContact CD1-CG 4.06Å; L80-F320 HydrophobicContact CD2-CB 4.4Å; L80-F320 HydrophobicContact CD2-CD1 3.83Å; L80-F320 HydrophobicContact CD2-CD2 4.16Å; L80-F320 HydrophobicContact CD2-CE1 4.05Å; L80-F320 HydrophobicContact CD2-CE2 4.36Å; L80-F320 HydrophobicContact CD2-CG 3.88Å; L80-F320 HydrophobicContact CD2-CZ 4.3Å; L80-F320 HydrophobicContact CG-CB 4.03Å; L80-F320 HydrophobicContact CG-CD1 3.92Å; L80-F320 HydrophobicContact CG-CG 3.99Å; L80-D322 HydrophobicContact CD1-CB 4.48Å; L80-G323 VanDerWaalsContact CD1-CA 3.47Å |
| 81 | K | 90.2 | Very high | 93.4 | Very high | 165 Ų | 165 | 76.9 Ų | 76.9 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -26.4 | 176 | -63.6 | 178.1 | -177.8 | 171.5 | 0 | 111.5 | C78 P79 E83 | C78-K81 HydrophobicContact CB-CD 4.39Å; C78-K81 PolarHBondContact O-N 3.35Å; P79-K81 VanDerWaalsContact C-N 3.33Å; K81-E83 PolarHBondContact O-N 3.02Å; K81-E83 VanDerWaalsContact O-N 3.14Å |
| 82 | D | 90.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 78.9 Ų | 78.9 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -89.3 | 62.1 | -175 | -70.9 | -7 | 0 | 0 | 0 | 112.8 | C78 K188 | C78-D82 PolarHBondContact O-N 3.14Å; D82-K188 PolarHBondContact O-NZ 2.85Å |
| 83 | E | 91.2 | Very high | 93 | Very high | 156 Ų | 156 | 78.2 Ų | 78.2 | 73% | 0.729 | 43% | 0.425 | S | S | * | . | trans | 44.6 | 64.5 | 177.4 | -58.5 | 173.1 | 166.3 | 0 | 0 | 112.7 | K81 K188 | K81-E83 PolarHBondContact O-N 3.02Å; K81-E83 VanDerWaalsContact O-N 3.14Å; E83-K188 WeakPolarHBondContact O-CD 3.45Å; E83-K188 PolarHBondContact O-NZ 3.27Å; E83-K188 IonicContact OE2-NZ 2.9Å | ||
| 84 | P | 92.5 | Very high | 93 | Very high | 60 Ų | 60 | 77.4 Ų | 77.4 | 39% | 0.39 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 148.7 | 178.8 | 28.3 | -35.7 | 0 | 0 | 0 | 110.7 | L80 | L80-P84 HydrophobicContact CD2-CB 4.42Å; L80-P84 VanDerWaalsContact O-CD 3.25Å; L80-P84 WeakPolarHBondContact O-CD 3.45Å; L80-P84 WeakPolarHBondContact O-CG 3.35Å |
| 85 | W | 94.7 | Very high | 93 | Very high | 102 Ų | 102 | 80.2 Ų | 80.2 | 39% | 0.386 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -68 | 157.9 | 169.7 | -71.3 | -4.3 | 0 | 0 | 0 | 110.9 | I87 Y132 A186 K188 | W85-I87 PolarHBondContact O-N 2.78Å; W85-Y132 AromaticContact CH2-CD1 3.8Å; W85-Y132 HydrophobicContact CH2-CD1 3.8Å; W85-Y132 AromaticContact CH2-CG 3.99Å; W85-Y132 HydrophobicContact CH2-CG 3.99Å; W85-Y132 AromaticContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD2 4.4Å; W85-Y132 HydrophobicContact CZ3-CE1 4.44Å; W85-Y132 AromaticContact CZ3-CG 3.92Å; W85-Y132 HydrophobicContact CZ3-CG 3.92Å; W85-A186 HydrophobicContact CE3-CB 4.08Å; W85-A186 HydrophobicContact CZ3-CB 4.13Å; W85-K188 HydrophobicContact CD2-CB 4.13Å; W85-K188 HydrophobicContact CG-CB 4.14Å |
| 86 | P | 94.9 | Very high | 93.1 | Very high | 100 Ų | 100 | 78 Ų | 78 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 130.5 | 178.2 | -26 | 34.9 | 0 | 0 | 0 | 112.1 | ||
| 87 | I | 94.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 75.2 Ų | 75.2 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 117.4 | 176.8 | -64 | 175.7 | 0 | 0 | 0 | 108 | L80 W85 F320 | L80-I87 HydrophobicContact CD2-CD1 4.3Å; W85-I87 PolarHBondContact O-N 2.78Å; I87-F320 HydrophobicContact CD1-CE2 4.17Å |
| 88 | H | 95.3 | Very high | 93.6 | Very high | 91 Ų | 91 | 71.3 Ų | 71.3 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 149.6 | 175 | -62.1 | -72.3 | 0 | 0 | 0 | 110.6 | N184 F316 | H88-N184 HydrophobicContact CB-CB 3.81Å; H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.3Å; H88-F316 WeakPolarHBondContact O-CE1 3.42Å |
| 89 | P | 95.1 | Very high | 94 | Very high | 94 Ų | 94 | 69.1 Ų | 69.1 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 163.4 | 174.1 | 30.7 | -35.5 | 0 | 0 | 0 | 111.5 | ||
| 90 | W | 95.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 68.6 Ų | 68.6 | 24% | 0.242 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -69 | 134.9 | 172.4 | 177.2 | 89 | 0 | 0 | 0 | 111 | P92 D309 K312 F316 | W90-P92 HydrophobicContact CH2-CB 4.37Å; W90-P92 HydrophobicContact CH2-CG 4.12Å; W90-P92 HydrophobicContact CZ3-CG 4.15Å; W90-D309 HydrophobicContact CH2-CB 4.29Å; W90-D309 HydrophobicContact CZ2-CB 4.2Å; W90-K312 HydrophobicContact CD2-CB 4.25Å; W90-K312 HydrophobicContact CE3-CB 3.96Å; W90-K312 HydrophobicContact CE3-CG 3.88Å; W90-K312 HydrophobicContact CH2-CB 4.07Å; W90-K312 HydrophobicContact CZ2-CB 4.36Å; W90-K312 HydrophobicContact CZ3-CB 3.87Å; W90-K312 HydrophobicContact CZ3-CD 4.25Å; W90-K312 HydrophobicContact CZ3-CG 3.91Å; W90-F316 HydrophobicContact CB-CB 4.33Å; W90-F316 HydrophobicContact CB-CD1 4.41Å; W90-F316 HydrophobicContact CB-CG 4.22Å |
| 91 | E | 95.1 | Very high | 94.7 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | trans | -123.2 | 151.6 | 174.2 | -62.8 | 177.5 | -179 | 0 | 0 | 110.9 | G93 S94 | E91-G93 PolarHBondContact O-N 2.76Å; E91-S94 PolarHBondContact N-OG 2.93Å; E91-S94 WeakPolarHBondContact O-CB 3.46Å; E91-S94 PolarHBondContact O-N 2.92Å; E91-S94 PolarHBondContact O-OG 3.27Å | ||
| 92 | P | 94 | Very high | 95.1 | Very high | 104 Ų | 104 | 59.1 Ų | 59.1 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.6 | 173.3 | -25.2 | 34.7 | 0 | 0 | 0 | 112.3 | W90 S94 | W90-P92 HydrophobicContact CH2-CB 4.37Å; W90-P92 HydrophobicContact CH2-CG 4.12Å; W90-P92 HydrophobicContact CZ3-CG 4.15Å; P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.02Å |
| 93 | G | 91.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 6.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E91 F95 D309 | E91-G93 PolarHBondContact O-N 2.76Å; G93-F95 WeakPolarHBondContact O-CE2 3.48Å; G93-D309 PolarHBondContact N-OD1 2.81Å |
| 94 | S | 94.2 | Very high | 95.8 | Very high | 19 Ų | 19 | 52 Ų | 52 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | trans | -69.4 | 143 | 172.1 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | E91 P92 N184 | E91-S94 PolarHBondContact N-OG 2.93Å; E91-S94 WeakPolarHBondContact O-CB 3.46Å; E91-S94 PolarHBondContact O-N 2.92Å; E91-S94 PolarHBondContact O-OG 3.27Å; P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.02Å; S94-N184 PolarHBondContact OG-ND2 3.17Å | ||
| 95 | F | 94.4 | Very high | 96.1 | Very high | 114 Ų | 114 | 49.6 Ų | 49.6 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | trans | -121.9 | 113.2 | 174 | -61.3 | -68.8 | 0 | 0 | 0 | 109.8 | G93 I181 T182 A185 | G93-F95 WeakPolarHBondContact O-CE2 3.48Å; F95-I181 WeakPolarHBondContact O-CA 3.38Å; F95-I181 WeakPolarHBondContact O-CB 3.36Å; F95-T182 HydrophobicContact CB-CG2 4.29Å; F95-T182 HydrophobicContact CD2-CG2 3.79Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.32Å; F95-T182 PolarHBondContact O-N 3.23Å; F95-T182 VanDerWaalsContact O-N 3.12Å; F95-T182 PolarHBondContact O-OG1 2.93Å; F95-A185 VanDerWaalsContact O-CB 3.29Å; F95-A185 WeakPolarHBondContact O-CB 3.34Å | ||
| 96 | R | 95.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 49 Ų | 49 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | trans | -84.1 | 170.3 | 174.6 | 67.1 | -177 | 179.4 | 151.2 | 12.5 | 112.8 | A185 H197 D301 P315 F316 | R96-A185 HydrophobicContact CB-CB 4.49Å; R96-H197 PolarHBondContact NH1-O 2.78Å; R96-H197 PolarHBondContact NH2-O 2.84Å; R96-D301 WeakPolarHBondContact CG-OD2 3.31Å; R96-D301 IonicContact CZ-OD1 3.81Å; R96-D301 IonicContact CZ-OD2 2.68Å; R96-D301 IonicContact NE-OD1 3.56Å; R96-D301 IonicContact NE-OD2 3.71Å; R96-D301 PolarHBondContact NE-OD2 3.42Å; R96-D301 IonicContact NH2-OD1 3.27Å; R96-D301 PolarHBondContact NH2-OD1 3.42Å; R96-D301 IonicContact NH2-OD2 3.57Å; R96-P315 PolarHBondContact NH1-O 2.92Å; R96-F316 HydrophobicContact CB-CD2 3.97Å; R96-F316 HydrophobicContact CB-CE2 4.01Å | ||
| 97 | V | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | trans | -63.6 | 161.7 | 177.9 | 74 | 0 | 0 | 0 | 0 | 111.3 | L145 V147 I181 I187 L193 H197 | V97-L145 HydrophobicContact CB-CD1 4.04Å; V97-L145 HydrophobicContact CG2-CB 4.24Å; V97-L145 HydrophobicContact CG2-CD1 3.91Å; V97-V147 HydrophobicContact CG2-CG2 3.67Å; V97-I181 HydrophobicContact CB-CG2 4.48Å; V97-I187 HydrophobicContact CB-CD1 4.24Å; V97-I187 HydrophobicContact CG1-CD1 3.64Å; V97-L193 HydrophobicContact CG1-CD1 4.25Å; V97-L193 HydrophobicContact CG1-CD2 4.21Å; V97-L193 HydrophobicContact CG2-CD1 4.31Å; V97-H197 PolarHBondContact O-NE2 2.82Å | ||
| 98 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -116.3 | -174.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F179 V299 | G98-F179 VanDerWaalsContact CA-CE1 3.44Å; G98-V299 CarbonylContact C-O 3.36Å; G98-V299 VanDerWaalsContact CA-O 3.3Å; G98-V299 WeakPolarHBondContact CA-O 3.02Å | ||
| 99 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 160.2 | -177.2 | -57.6 | -176.3 | 0 | 0 | 0 | 112.6 | V124 L193 Y194 H197 F198 I283 V299 | L99-V124 HydrophobicContact CD1-CG1 4.47Å; L99-V124 HydrophobicContact CD1-CG2 3.78Å; L99-L193 HydrophobicContact CD2-CB 3.49Å; L99-L193 VanDerWaalsContact CD2-CB 3.49Å; L99-L193 HydrophobicContact CD2-CD1 3.96Å; L99-L193 HydrophobicContact CD2-CG 4.29Å; L99-Y194 WeakPolarHBondContact CD1-O 3.21Å; L99-H197 HydrophobicContact CD1-CB 4.2Å; L99-H197 HydrophobicContact CD2-CB 4.38Å; L99-F198 HydrophobicContact CB-CE2 3.98Å; L99-F198 HydrophobicContact CD1-CD2 3.58Å; L99-F198 HydrophobicContact CD1-CE2 3.48Å; L99-F198 VanDerWaalsContact CD1-CE2 3.48Å; L99-F198 HydrophobicContact CG-CD2 4.17Å; L99-F198 HydrophobicContact CG-CE2 3.57Å; L99-F198 HydrophobicContact CG-CZ 4.33Å; L99-I283 HydrophobicContact CD1-CD1 4.12Å; L99-V299 PolarHBondContact N-O 2.97Å; L99-V299 PolarHBondContact O-N 3.02Å |
| 100 | I | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.1 | 163.7 | -60.8 | 178.8 | 0 | 0 | 0 | 107.8 | C127 V147 K177 L296 V297 | I100-C127 PolarHBondContact N-SG 3.43Å; I100-C127 VanDerWaalsContact N-SG 3.45Å; I100-V147 HydrophobicContact CD1-CG1 4.4Å; I100-V147 WeakPolarHBondContact CD1-O 3.49Å; I100-V147 HydrophobicContact CG1-CG1 4.39Å; I100-K177 HydrophobicContact CD1-CB 3.89Å; I100-K177 HydrophobicContact CD1-CG 3.79Å; I100-K177 HydrophobicContact CG1-CB 4.35Å; I100-K177 HydrophobicContact CG1-CG 4.26Å; I100-L296 HydrophobicContact CG2-CB 4.42Å; I100-L296 HydrophobicContact CG2-CD2 4.07Å; I100-V297 WeakPolarHBondContact CA-O 3.34Å |
| 101 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 162.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L122 Q123 V124 L296 V297 V299 | A101-L122 HydrophobicContact CB-CB 3.87Å; A101-Q123 CarbonylContact C-O 3.53Å; A101-Q123 VanDerWaalsContact CA-O 3.29Å; A101-Q123 WeakPolarHBondContact CA-O 3.38Å; A101-V124 HydrophobicContact CB-CG2 4.28Å; A101-L296 CarbonylContact O-C 3.59Å; A101-L296 WeakPolarHBondContact O-CA 3.38Å; A101-V297 HydrophobicContact CB-CG2 4.08Å; A101-V297 PolarHBondContact N-O 2.9Å; A101-V297 WeakPolarHBondContact O-CG2 3.33Å; A101-V297 PolarHBondContact O-N 3.36Å; A101-V299 HydrophobicContact CB-CG2 4.3Å |
| 102 | L | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.9 | 174.5 | -173.7 | 155.5 | 0 | 0 | 0 | 108.9 | L104 L122 Q123 K150 N294 C295 L296 | L102-L104 HydrophobicContact CD2-CD2 3.6Å; L102-L104 HydrophobicContact CD2-CG 4.18Å; L102-L104 PolarHBondContact O-N 2.89Å; L102-L122 CarbonylContact O-C 3.48Å; L102-L122 WeakPolarHBondContact O-CA 3.18Å; L102-Q123 PolarHBondContact N-O 2.83Å; L102-Q123 PolarHBondContact O-N 3.4Å; L102-K150 HydrophobicContact CD1-CD 4.29Å; L102-N294 HydrophobicContact CD2-CB 4.33Å; L102-C295 WeakPolarHBondContact CA-O 3.39Å; L102-L296 HydrophobicContact CB-CD2 4.43Å |
| 103 | K | 98.6 | Very high | 97 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 104 | 177.7 | 178.7 | -178.8 | 175 | -176.7 | 0 | 110.4 | T120 L122 V289 G291 K293 N294 C295 V297 | K103-T120 HydrophobicContact CD-CG2 4.27Å; K103-T120 HydrophobicContact CG-CG2 3.86Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.23Å; K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.45Å; K103-V289 PolarHBondContact NZ-O 2.94Å; K103-G291 PolarHBondContact NZ-O 2.84Å; K103-K293 CarbonylContact O-C 3.59Å; K103-N294 WeakPolarHBondContact O-CA 3.49Å; K103-N294 PolarHBondContact O-N 3.41Å; K103-C295 PolarHBondContact N-O 3.39Å; K103-V297 HydrophobicContact CB-CG1 4.12Å |
| 104 | L | 98.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -56.7 | -179.5 | -67.3 | 173.6 | 0 | 0 | 0 | 111.5 | L102 L121 Q123 I282 | L102-L104 HydrophobicContact CD2-CD2 3.6Å; L102-L104 HydrophobicContact CD2-CG 4.18Å; L102-L104 PolarHBondContact O-N 2.89Å; L104-L121 HydrophobicContact CB-CB 4.18Å; L104-L121 HydrophobicContact CD1-CB 4.39Å; L104-L121 PolarHBondContact N-O 3.45Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.5Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; L104-I282 HydrophobicContact CD1-CD1 4.18Å |
| 105 | G | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | -163.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T120 L121 | G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.44Å; G105-L121 PolarHBondContact O-N 3.48Å |
| 106 | M | 98.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.1 | 178 | -62.5 | 178.1 | 69.5 | 0 | 0 | 109.2 | V118 V119 | M106-V118 HydrophobicContact CB-CG2 4.41Å; M106-V118 HydrophobicContact CE-CG1 4.25Å; M106-V118 HydrophobicContact CE-CG2 3.56Å; M106-V119 CarbonylContact C-O 3.59Å; M106-V119 WeakPolarHBondContact CA-O 3.42Å |
| 107 | M | 98.1 | Very high | 97.6 | Very high | 68 Ų | 68 | 49 Ų | 49 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 156 | 176.3 | 68.9 | 179.4 | -73.9 | 0 | 0 | 110.6 | V119 L121 Y284 | M107-V119 HydrophobicContact CG-CG2 3.44Å; M107-V119 VanDerWaalsContact CG-CG2 3.44Å; M107-V119 PolarHBondContact N-O 2.9Å; M107-V119 WeakPolarHBondContact O-CG2 3.35Å; M107-V119 PolarHBondContact O-N 3.03Å; M107-V119 HydrophobicContact SD-CG2 4.4Å; M107-L121 HydrophobicContact CB-CD1 4.11Å; M107-L121 HydrophobicContact CG-CD1 3.8Å; M107-L121 HydrophobicContact SD-CD1 4.08Å; M107-L121 HydrophobicContact SD-CD2 4.1Å; M107-L121 HydrophobicContact SD-CG 4.29Å; M107-Y284 HydrophobicContact SD-CD1 3.89Å; M107-Y284 HydrophobicContact SD-CE1 3.53Å; M107-Y284 VanDerWaalsContact SD-CE1 3.53Å |
| 108 | P | 98 | Very high | 97.6 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 152.3 | 168.7 | 32.9 | -34.9 | 0 | 0 | 0 | 111.1 | W110 | P108-W110 HydrophobicContact CB-CH2 3.85Å; P108-W110 HydrophobicContact CB-CZ2 4.22Å; P108-W110 HydrophobicContact CB-CZ3 4.09Å; P108-W110 HydrophobicContact CG-CH2 3.69Å; P108-W110 HydrophobicContact CG-CZ2 4.46Å; P108-W110 HydrophobicContact CG-CZ3 3.98Å |
| 109 | L | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 138.8 | 171.6 | -177.9 | 149.7 | 0 | 0 | 0 | 107.8 | H117 V119 W274 V337 | L109-H117 PolarHBondContact N-O 3.48Å; L109-H117 PolarHBondContact O-N 2.99Å; L109-V119 HydrophobicContact CB-CG1 3.96Å; L109-V119 HydrophobicContact CB-CG2 4.21Å; L109-V119 HydrophobicContact CD1-CG1 4.27Å; L109-W274 HydrophobicContact CD1-CB 3.94Å; L109-W274 HydrophobicContact CD1-CG 4.47Å; L109-W274 HydrophobicContact CD2-CD2 4.49Å; L109-W274 HydrophobicContact CD2-CG 4.49Å; L109-V337 HydrophobicContact CD1-CG1 4.04Å; L109-V337 HydrophobicContact CD2-CG1 3.99Å; L109-V337 HydrophobicContact CD2-CG2 4.02Å; L109-V337 HydrophobicContact CG-CG1 4.16Å |
| 110 | W | 97.7 | Very high | 97.7 | Very high | 134 Ų | 134 | 52.2 Ų | 52.2 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.6 | 179.5 | -66 | -97 | 0 | 0 | 0 | 110.8 | P108 E115 C338 | P108-W110 HydrophobicContact CB-CH2 3.85Å; P108-W110 HydrophobicContact CB-CZ2 4.22Å; P108-W110 HydrophobicContact CB-CZ3 4.09Å; P108-W110 HydrophobicContact CG-CH2 3.69Å; P108-W110 HydrophobicContact CG-CZ2 4.46Å; P108-W110 HydrophobicContact CG-CZ3 3.98Å; W110-E115 WeakPolarHBondContact CA-O 3.46Å; W110-C338 PolarHBondContact O-N 2.66Å; W110-C338 VanDerWaalsContact O-N 3.11Å |
| 111 | T | 97.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -87.4 | 165.4 | 171.1 | 52.5 | 0 | 0 | 0 | 0 | 111 | D113 G114 E115 W274 N336 C338 I345 | T111-D113 PolarHBondContact O-N 2.75Å; T111-G114 PolarHBondContact O-N 2.92Å; T111-E115 PolarHBondContact N-O 3.39Å; T111-E115 WeakPolarHBondContact OG1-CB 3.37Å; T111-E115 PolarHBondContact OG1-N 3.33Å; T111-E115 PolarHBondContact OG1-O 2.94Å; T111-W274 HydrophobicContact CG2-CH2 3.95Å; T111-W274 HydrophobicContact CG2-CZ3 4.19Å; T111-N336 CarbonylContact C-O 3.59Å; T111-N336 WeakPolarHBondContact CA-O 3.31Å; T111-N336 VanDerWaalsContact CB-O 3.31Å; T111-N336 WeakPolarHBondContact CB-O 3.47Å; T111-C338 PolarHBondContact O-SG 3.1Å; T111-I345 WeakPolarHBondContact O-CD1 3.07Å |
| 112 | K | 96.4 | Very high | 97.7 | Very high | 112 Ų | 112 | 53.4 Ų | 53.4 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.4 | 173.6 | -68.1 | 177.3 | 178.5 | 170.9 | 0 | 112.7 | G114 E335 N336 V337 C338 I345 | K112-G114 PolarHBondContact O-N 3.16Å; K112-E335 WeakPolarHBondContact CD-O 3.17Å; K112-E335 WeakPolarHBondContact CE-O 3.48Å; K112-E335 PolarHBondContact NZ-O 2.92Å; K112-N336 PolarHBondContact N-O 3.46Å; K112-V337 WeakPolarHBondContact CE-O 3.38Å; K112-C338 WeakPolarHBondContact CA-SG 3.3Å; K112-C338 PolarHBondContact N-SG 3.29Å; K112-C338 VanDerWaalsContact N-SG 3.43Å; K112-I345 WeakPolarHBondContact O-CG2 3.22Å |
| 113 | D | 95.3 | Very high | 97.7 | Very high | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.9 | 174.5 | -49.2 | -48.1 | 0 | 0 | 0 | 113.1 | T111 E115 F347 | T111-D113 PolarHBondContact O-N 2.75Å; D113-E115 VanDerWaalsContact C-N 3.31Å; D113-E115 HydrophobicContact CB-CG 4.46Å; D113-F347 WeakPolarHBondContact O-CZ 3.31Å |
| 114 | G | 94.3 | Very high | 97.7 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 83 | 2.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T111 K112 | T111-G114 PolarHBondContact O-N 2.92Å; K112-G114 PolarHBondContact O-N 3.16Å |
| 115 | E | 96.6 | Very high | 97.6 | Very high | 116 Ų | 116 | 54.7 Ų | 54.7 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | trans | -76.4 | 143.4 | 177.6 | -57.9 | -168.3 | 161.5 | 0 | 0 | 112 | W110 T111 D113 H117 | W110-E115 WeakPolarHBondContact CA-O 3.46Å; T111-E115 PolarHBondContact N-O 3.39Å; T111-E115 WeakPolarHBondContact OG1-CB 3.37Å; T111-E115 PolarHBondContact OG1-N 3.33Å; T111-E115 PolarHBondContact OG1-O 2.94Å; D113-E115 VanDerWaalsContact C-N 3.31Å; D113-E115 HydrophobicContact CB-CG 4.46Å; E115-H117 IonicContact OE2-CE1 3.88Å; E115-H117 IonicContact OE2-NE2 3.66Å | ||
| 116 | K | 97.4 | Very high | 97.4 | Very high | 150 Ų | 150 | 57.3 Ų | 57.3 | 65% | 0.652 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.8 | 176.7 | -178.5 | -176.8 | 177.3 | 179.8 | 0 | 110.3 | ||
| 117 | H | 98 | Very high | 97.4 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.8 | 168.4 | -63.6 | -76.7 | 0 | 0 | 0 | 111.4 | L109 E115 W274 | L109-H117 PolarHBondContact N-O 3.48Å; L109-H117 PolarHBondContact O-N 2.99Å; E115-H117 IonicContact OE2-CE1 3.88Å; E115-H117 IonicContact OE2-NE2 3.66Å; H117-W274 AromaticContact CD2-CZ2 3.95Å |
| 118 | V | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.9 | 170.5 | 67 | 0 | 0 | 0 | 0 | 108.6 | M106 G287 | M106-V118 HydrophobicContact CB-CG2 4.41Å; M106-V118 HydrophobicContact CE-CG1 4.25Å; M106-V118 HydrophobicContact CE-CG2 3.56Å; V118-G287 WeakPolarHBondContact O-CA 3.29Å; V118-G287 PolarHBondContact O-N 2.96Å |
| 119 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.8 | -179 | -56.5 | 0 | 0 | 0 | 0 | 111 | M106 M107 L109 W274 Y284 V285 | M106-V119 CarbonylContact C-O 3.59Å; M106-V119 WeakPolarHBondContact CA-O 3.42Å; M107-V119 HydrophobicContact CG-CG2 3.44Å; M107-V119 VanDerWaalsContact CG-CG2 3.44Å; M107-V119 PolarHBondContact N-O 2.9Å; M107-V119 WeakPolarHBondContact O-CG2 3.35Å; M107-V119 PolarHBondContact O-N 3.03Å; M107-V119 HydrophobicContact SD-CG2 4.4Å; L109-V119 HydrophobicContact CB-CG1 3.96Å; L109-V119 HydrophobicContact CB-CG2 4.21Å; L109-V119 HydrophobicContact CD1-CG1 4.27Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.25Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; V119-V285 CarbonylContact C-O 3.56Å; V119-V285 VanDerWaalsContact CA-O 3.26Å; V119-V285 WeakPolarHBondContact CA-O 3.3Å; V119-V285 WeakPolarHBondContact CB-O 3.48Å |
| 120 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.7 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 109.5 | K103 G105 L122 V285 G287 V289 | K103-T120 HydrophobicContact CD-CG2 4.27Å; K103-T120 HydrophobicContact CG-CG2 3.86Å; G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.44Å; T120-L122 HydrophobicContact CG2-CD2 3.94Å; T120-V285 PolarHBondContact N-O 2.9Å; T120-V285 PolarHBondContact O-N 2.77Å; T120-G287 PolarHBondContact OG1-O 2.72Å; T120-V289 HydrophobicContact CG2-CB 4.13Å; T120-V289 HydrophobicContact CG2-CG2 3.96Å |
| 121 | L | 98.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.9 | 177 | -59 | 90.1 | 0 | 0 | 0 | 110.1 | L104 G105 M107 I282 Y284 | L104-L121 HydrophobicContact CB-CB 4.18Å; L104-L121 HydrophobicContact CD1-CB 4.39Å; L104-L121 PolarHBondContact N-O 3.45Å; G105-L121 PolarHBondContact O-N 3.48Å; M107-L121 HydrophobicContact CB-CD1 4.11Å; M107-L121 HydrophobicContact CG-CD1 3.8Å; M107-L121 HydrophobicContact SD-CD1 4.08Å; M107-L121 HydrophobicContact SD-CD2 4.1Å; M107-L121 HydrophobicContact SD-CG 4.29Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.29Å; L121-Y284 HydrophobicContact CD2-CD1 4.27Å; L121-Y284 HydrophobicContact CD2-CE1 3.59Å; L121-Y284 HydrophobicContact CG-CD1 4.06Å; L121-Y284 HydrophobicContact CG-CE1 3.9Å |
| 122 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112 | 177.5 | -58.4 | -174.4 | 0 | 0 | 0 | 109.7 | A101 L102 K103 T120 V206 I282 I283 V285 V297 V299 | A101-L122 HydrophobicContact CB-CB 3.87Å; L102-L122 CarbonylContact O-C 3.48Å; L102-L122 WeakPolarHBondContact O-CA 3.18Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.23Å; T120-L122 HydrophobicContact CG2-CD2 3.94Å; L122-V206 HydrophobicContact CD1-CG2 4.29Å; L122-I282 WeakPolarHBondContact O-CA 3.5Å; L122-I283 HydrophobicContact CB-CB 4.38Å; L122-I283 PolarHBondContact N-O 3.24Å; L122-I283 PolarHBondContact O-N 3Å; L122-V285 HydrophobicContact CD1-CB 4.42Å; L122-V285 HydrophobicContact CD1-CG2 3.71Å; L122-V285 HydrophobicContact CG-CG2 4.27Å; L122-V297 HydrophobicContact CD1-CG2 4.1Å; L122-V297 HydrophobicContact CD2-CG2 3.83Å; L122-V299 HydrophobicContact CD1-CG2 3.78Å |
| 123 | Q | 98.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.8 | 179.8 | -171.2 | -179.3 | 23.6 | 0 | 0 | 111.2 | A101 L102 L104 Q125 N281 I282 | A101-Q123 CarbonylContact C-O 3.53Å; A101-Q123 VanDerWaalsContact CA-O 3.29Å; A101-Q123 WeakPolarHBondContact CA-O 3.38Å; L102-Q123 PolarHBondContact N-O 2.83Å; L102-Q123 PolarHBondContact O-N 3.4Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.5Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q123-N281 CarbonylContact C-O 3.52Å; Q123-N281 WeakPolarHBondContact CA-O 3.08Å; Q123-I282 HydrophobicContact CB-CG1 4.29Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å |
| 124 | V | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.3 | 174.1 | -174.5 | 0 | 0 | 0 | 0 | 108 | L99 A101 C127 A195 N281 I283 | L99-V124 HydrophobicContact CD1-CG1 4.47Å; L99-V124 HydrophobicContact CD1-CG2 3.78Å; A101-V124 HydrophobicContact CB-CG2 4.28Å; V124-C127 HydrophobicContact CG1-CB 3.51Å; V124-A195 HydrophobicContact CG2-CB 4.07Å; V124-N281 HydrophobicContact CB-CB 4.19Å; V124-N281 PolarHBondContact N-O 3.22Å; V124-I283 HydrophobicContact CG2-CD1 3.83Å; V124-I283 HydrophobicContact CG2-CG1 4.48Å |
| 125 | Q | 95.7 | Very high | 97.5 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 29% | 0.285 | 21% | 0.213 | S | C | . | . | trans | -123.5 | 121 | -179.7 | -63.4 | -178.3 | 0.4 | 0 | 0 | 109.7 | Q123 C127 K150 | Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q125-C127 VanDerWaalsContact C-N 3.26Å; Q125-C127 PolarHBondContact O-N 2.7Å; Q125-K150 PolarHBondContact O-N 3.09Å | ||
| 126 | D | 95.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 43.8 | 47.8 | 177.7 | -55.6 | -30.2 | 0 | 0 | 0 | 113.9 | H128 T151 K173 | D126-H128 VanDerWaalsContact C-ND1 3.26Å; D126-H128 PolarHBondContact O-N 2.87Å; D126-H128 PolarHBondContact O-ND1 2.97Å; D126-T151 WeakPolarHBondContact CB-OG1 3.45Å; D126-T151 WeakPolarHBondContact OD2-CB 3.46Å; D126-T151 PolarHBondContact OD2-OG1 2.85Å; D126-K173 WeakPolarHBondContact O-CE 3.34Å |
| 127 | C | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 118.4 | -179 | -161.8 | 0 | 0 | 0 | 0 | 109.8 | I100 V124 Q125 V147 G148 P192 L193 | I100-C127 PolarHBondContact N-SG 3.43Å; I100-C127 VanDerWaalsContact N-SG 3.45Å; V124-C127 HydrophobicContact CG1-CB 3.51Å; Q125-C127 VanDerWaalsContact C-N 3.26Å; Q125-C127 PolarHBondContact O-N 2.7Å; C127-V147 WeakPolarHBondContact SG-CG1 3.41Å; C127-G148 WeakPolarHBondContact CA-O 3.33Å; C127-P192 CarbonylContact O-C 3.47Å; C127-L193 HydrophobicContact CB-CB 4.25Å; C127-L193 PolarHBondContact O-N 3.45Å |
| 128 | H | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 148.4 | -177.2 | -63.4 | 75.5 | 0 | 0 | 0 | 110.8 | D126 V147 G148 L170 T191 | D126-H128 VanDerWaalsContact C-ND1 3.26Å; D126-H128 PolarHBondContact O-N 2.87Å; D126-H128 PolarHBondContact O-ND1 2.97Å; H128-V147 WeakPolarHBondContact O-CA 3.38Å; H128-G148 PolarHBondContact N-O 2.88Å; H128-G148 VanDerWaalsContact N-O 3.16Å; H128-G148 PolarHBondContact O-N 2.94Å; H128-L170 HydrophobicContact CB-CD1 3.74Å; H128-T191 WeakPolarHBondContact CA-O 3.32Å |
| 129 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.9 | 169.1 | -178.5 | 0 | 0 | 0 | 0 | 109 | L145 I187 G190 T191 L193 | V129-L145 HydrophobicContact CG1-CD2 3.7Å; V129-I187 HydrophobicContact CG2-CB 4.36Å; V129-I187 HydrophobicContact CG2-CG2 4.06Å; V129-G190 PolarHBondContact O-N 3.04Å; V129-T191 PolarHBondContact N-O 2.84Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.4Å; V129-L193 HydrophobicContact CG2-CG 4.27Å |
| 130 | L | 97.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -44.9 | -175.6 | -58.9 | -176.4 | 0 | 0 | 0 | 113.2 | S146 F164 Y165 L168 V176 | L130-S146 WeakPolarHBondContact CB-O 3.25Å; L130-S146 PolarHBondContact N-O 3.13Å; L130-F164 HydrophobicContact CB-CE1 4.15Å; L130-F164 HydrophobicContact CB-CZ 4Å; L130-F164 HydrophobicContact CD1-CE1 4.45Å; L130-Y165 HydrophobicContact CD1-CE1 4.38Å; L130-Y165 WeakPolarHBondContact CD1-OH 3.42Å; L130-Y165 HydrophobicContact CD2-CE1 3.78Å; L130-L168 HydrophobicContact CB-CD2 4.31Å; L130-L168 HydrophobicContact CD2-CD2 3.71Å; L130-V176 HydrophobicContact CD1-CB 4.31Å; L130-V176 HydrophobicContact CD1-CG1 3.83Å; L130-V176 HydrophobicContact CD1-CG2 3.55Å |
| 131 | K | 97.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 150.4 | 178.8 | 64 | 169.8 | -171.9 | 177.8 | 0 | 110.7 | S146 F164 | K131-S146 WeakPolarHBondContact CE-OG 3.39Å; K131-S146 VanDerWaalsContact CG-CB 3.48Å; K131-S146 WeakPolarHBondContact CG-OG 3.15Å; K131-S146 PolarHBondContact O-N 3.28Å; K131-F164 HydrophobicContact CB-CZ 4.47Å |
| 132 | Y | 97.6 | Very high | 95 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.5 | 169.7 | 172.8 | -106.5 | 0 | 0 | 0 | 109.7 | W85 A143 L145 I181 A186 | W85-Y132 AromaticContact CH2-CD1 3.8Å; W85-Y132 HydrophobicContact CH2-CD1 3.8Å; W85-Y132 AromaticContact CH2-CG 3.99Å; W85-Y132 HydrophobicContact CH2-CG 3.99Å; W85-Y132 AromaticContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD2 4.4Å; W85-Y132 HydrophobicContact CZ3-CE1 4.44Å; W85-Y132 AromaticContact CZ3-CG 3.92Å; W85-Y132 HydrophobicContact CZ3-CG 3.92Å; Y132-A143 HydrophobicContact CE2-CB 3.76Å; Y132-L145 HydrophobicContact CD2-CD2 3.77Å; Y132-L145 HydrophobicContact CD2-CG 4.36Å; Y132-L145 HydrophobicContact CG-CD2 4.35Å; Y132-I181 HydrophobicContact CD2-CD1 4.49Å; Y132-I181 HydrophobicContact CE2-CD1 4.19Å; Y132-A186 HydrophobicContact CD2-CB 4.41Å; Y132-A186 HydrophobicContact CE2-CB 3.93Å |
| 133 | T | 96.8 | Very high | 94.9 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 20% | 0.202 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 122.3 | 173.5 | -54.7 | 0 | 0 | 0 | 0 | 107.7 | N137 H138 A144 | T133-N137 HydrophobicContact CG2-CB 3.77Å; T133-H138 HydrophobicContact CG2-CB 3.98Å; T133-A144 PolarHBondContact N-O 3.05Å; T133-A144 PolarHBondContact O-N 3.25Å |
| 134 | S | 96.4 | Very high | 94.8 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | trans | -62.8 | 161 | -179.4 | 62.2 | 0 | 0 | 0 | 0 | 112 | E136 N137 H138 | S134-E136 VanDerWaalsContact C-N 3.29Å; S134-E136 PolarHBondContact O-N 2.96Å; S134-N137 PolarHBondContact O-N 3.06Å; S134-N137 PolarHBondContact OG-ND2 3.3Å; S134-H138 WeakPolarHBondContact O-CB 3.4Å; S134-H138 PolarHBondContact O-N 3.16Å; S134-H138 VanDerWaalsContact O-N 3.16Å | ||
| 135 | K | 94.3 | Very high | 94.7 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52.9 | -44.3 | 179.2 | 180 | 176.2 | 174 | -178.6 | 0 | 113.1 | H138 N139 G140 K141 | K135-H138 PolarHBondContact O-N 3.33Å; K135-N139 PolarHBondContact O-N 3.25Å; K135-G140 WeakPolarHBondContact CE-O 3.44Å; K135-G140 WeakPolarHBondContact O-CA 3.46Å; K135-G140 PolarHBondContact O-N 3.03Å; K135-K141 VanDerWaalsContact CE-O 3.25Å; K135-K141 WeakPolarHBondContact CE-O 2.87Å |
| 136 | E | 94.4 | Very high | 94.9 | Very high | 174 Ų | 174 | 52.5 Ų | 52.5 | 81% | 0.813 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 179.4 | -63.8 | 175.4 | 179 | 0 | 0 | 112.1 | S134 H138 | S134-E136 VanDerWaalsContact C-N 3.29Å; S134-E136 PolarHBondContact O-N 2.96Å; E136-H138 PolarHBondContact O-N 3.22Å |
| 137 | N | 94.1 | Very high | 95 | Very high | 128 Ų | 128 | 49.3 Ų | 49.3 | 68% | 0.684 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -83.3 | -9 | -175.5 | -70.8 | -42.4 | 0 | 0 | 0 | 114.1 | T133 S134 | T133-N137 HydrophobicContact CG2-CB 3.77Å; S134-N137 PolarHBondContact O-N 3.06Å; S134-N137 PolarHBondContact OG-ND2 3.3Å |
| 138 | H | 90.2 | Very high | 95 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 32% | 0.324 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -103.6 | -76.4 | -175.9 | 179.2 | -114.4 | 0 | 0 | 0 | 113.4 | T133 S134 K135 E136 T142 A144 N180 | T133-H138 HydrophobicContact CG2-CB 3.98Å; S134-H138 WeakPolarHBondContact O-CB 3.4Å; S134-H138 PolarHBondContact O-N 3.16Å; S134-H138 VanDerWaalsContact O-N 3.16Å; K135-H138 PolarHBondContact O-N 3.33Å; E136-H138 PolarHBondContact O-N 3.22Å; H138-T142 PolarHBondContact ND1-O 3.39Å; H138-A144 HydrophobicContact CB-CB 4.19Å; H138-A144 VanDerWaalsContact CD2-CB 3.47Å; H138-A144 WeakPolarHBondContact CD2-CB 3.36Å; H138-N180 PolarHBondContact CE1-OD1 2.89Å |
| 139 | N | 85.2 | Confident | 94.9 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 7.4 | -175.1 | 70.6 | 5.1 | 0 | 0 | 0 | 113.5 | K135 K141 T142 | K135-N139 PolarHBondContact O-N 3.25Å; N139-K141 PolarHBondContact O-N 3.15Å; N139-K141 VanDerWaalsContact O-N 3.09Å; N139-K141 PolarHBondContact OD1-N 2.94Å; N139-T142 PolarHBondContact ND2-OG1 3.12Å; N139-T142 PolarHBondContact OD1-N 3.04Å; N139-T142 PolarHBondContact OD1-O 3.11Å; N139-T142 PolarHBondContact OD1-OG1 3.21Å |
| 140 | G | 87.1 | Confident | 94.9 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 71.5 | -8.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K135 | K135-G140 WeakPolarHBondContact CE-O 3.44Å; K135-G140 WeakPolarHBondContact O-CA 3.46Å; K135-G140 PolarHBondContact O-N 3.03Å |
| 141 | K | 90 | Very high | 94.8 | Very high | 174 Ų | 174 | 53.1 Ų | 53.1 | 76% | 0.757 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -110.8 | -43.8 | -176 | -65.6 | -171.8 | 180 | -174.9 | 0 | 113.4 | K135 N139 | K135-K141 VanDerWaalsContact CE-O 3.25Å; K135-K141 WeakPolarHBondContact CE-O 2.87Å; N139-K141 PolarHBondContact O-N 3.15Å; N139-K141 VanDerWaalsContact O-N 3.09Å; N139-K141 PolarHBondContact OD1-N 2.94Å |
| 142 | T | 93.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -137.7 | 143.6 | -175.2 | 57 | 0 | 0 | 0 | 0 | 109.9 | H138 N139 I181 | H138-T142 PolarHBondContact ND1-O 3.39Å; N139-T142 PolarHBondContact ND2-OG1 3.12Å; N139-T142 PolarHBondContact OD1-N 3.04Å; N139-T142 PolarHBondContact OD1-O 3.11Å; N139-T142 PolarHBondContact OD1-OG1 3.21Å; T142-I181 WeakPolarHBondContact CB-O 3.46Å |
| 143 | A | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 164.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y132 N180 I181 D183 | Y132-A143 HydrophobicContact CE2-CB 3.76Å; A143-N180 WeakPolarHBondContact O-CA 3.37Å; A143-I181 HydrophobicContact CB-CD1 4.35Å; A143-I181 HydrophobicContact CB-CG1 4.03Å; A143-I181 PolarHBondContact N-O 3.27Å; A143-I181 VanDerWaalsContact N-O 3.14Å; A143-I181 PolarHBondContact O-N 3.15Å; A143-D183 WeakPolarHBondContact CB-OD1 3.49Å |
| 144 | A | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | T133 H138 I178 F179 | T133-A144 PolarHBondContact N-O 3.05Å; T133-A144 PolarHBondContact O-N 3.25Å; H138-A144 HydrophobicContact CB-CB 4.19Å; H138-A144 VanDerWaalsContact CD2-CB 3.47Å; H138-A144 WeakPolarHBondContact CD2-CB 3.36Å; A144-I178 HydrophobicContact CB-CG2 3.71Å; A144-F179 WeakPolarHBondContact CA-O 3.37Å |
| 145 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.9 | 167.7 | -77.6 | 175.9 | 0 | 0 | 0 | 109.9 | V97 V129 Y132 I178 F179 I181 I187 | V97-L145 HydrophobicContact CB-CD1 4.04Å; V97-L145 HydrophobicContact CG2-CB 4.24Å; V97-L145 HydrophobicContact CG2-CD1 3.91Å; V129-L145 HydrophobicContact CG1-CD2 3.7Å; Y132-L145 HydrophobicContact CD2-CD2 3.77Å; Y132-L145 HydrophobicContact CD2-CG 4.36Å; Y132-L145 HydrophobicContact CG-CD2 4.35Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.36Å; L145-F179 PolarHBondContact N-O 3.26Å; L145-F179 PolarHBondContact O-N 2.8Å; L145-I181 HydrophobicContact CD1-CD1 3.57Å; L145-I181 HydrophobicContact CD1-CG1 4.34Å; L145-I181 HydrophobicContact CD1-CG2 4.23Å; L145-I181 HydrophobicContact CG-CD1 3.55Å; L145-I181 HydrophobicContact CG-CG1 4.12Å; L145-I187 HydrophobicContact CD1-CB 4.22Å; L145-I187 HydrophobicContact CD1-CD1 4.49Å; L145-I187 HydrophobicContact CD1-CG1 4.37Å |
| 146 | S | 98.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.1 | 170 | -59.8 | 0 | 0 | 0 | 0 | 108.9 | L130 K131 | L130-S146 WeakPolarHBondContact CB-O 3.25Å; L130-S146 PolarHBondContact N-O 3.13Å; K131-S146 WeakPolarHBondContact CE-OG 3.39Å; K131-S146 VanDerWaalsContact CG-CB 3.48Å; K131-S146 WeakPolarHBondContact CG-OG 3.15Å; K131-S146 PolarHBondContact O-N 3.28Å |
| 147 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.3 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | V97 I100 C127 H128 V176 K177 F179 L193 | V97-V147 HydrophobicContact CG2-CG2 3.67Å; I100-V147 HydrophobicContact CD1-CG1 4.4Å; I100-V147 WeakPolarHBondContact CD1-O 3.49Å; I100-V147 HydrophobicContact CG1-CG1 4.39Å; C127-V147 WeakPolarHBondContact SG-CG1 3.41Å; H128-V147 WeakPolarHBondContact O-CA 3.38Å; V147-V176 CarbonylContact O-C 3.6Å; V147-V176 WeakPolarHBondContact O-CA 3.46Å; V147-K177 PolarHBondContact N-O 2.87Å; V147-K177 PolarHBondContact O-N 2.76Å; V147-F179 HydrophobicContact CB-CD2 4.06Å; V147-F179 HydrophobicContact CB-CE2 3.82Å; V147-F179 HydrophobicContact CG2-CD2 3.77Å; V147-F179 HydrophobicContact CG2-CE2 3.97Å; V147-L193 HydrophobicContact CG1-CD1 4Å; V147-L193 HydrophobicContact CG2-CD1 4.2Å |
| 148 | G | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 152.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | C127 H128 T175 | C127-G148 WeakPolarHBondContact CA-O 3.33Å; H128-G148 PolarHBondContact N-O 2.88Å; H128-G148 VanDerWaalsContact N-O 3.16Å; H128-G148 PolarHBondContact O-N 2.94Å; G148-T175 WeakPolarHBondContact CA-O 3.49Å |
| 149 | G | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q174 T175 | G149-Q174 PolarHBondContact O-N 2.82Å; G149-T175 PolarHBondContact N-O 3.06Å |
| 150 | K | 97.1 | Very high | 95.7 | Very high | 63 Ų | 63 | 52 Ų | 52 | 27% | 0.274 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.9 | 115 | -175.2 | -179.1 | 173.5 | 174.4 | -160.9 | 0 | 114.2 | L102 Q125 K173 Q174 L296 | L102-K150 HydrophobicContact CD1-CD 4.29Å; Q125-K150 PolarHBondContact O-N 3.09Å; K150-K173 CarbonylContact O-C 3.58Å; K150-K173 WeakPolarHBondContact O-CA 3.26Å; K150-Q174 HydrophobicContact CB-CB 4.35Å; K150-Q174 VanDerWaalsContact CD-OE1 3.26Å; K150-Q174 VanDerWaalsContact CE-OE1 3.32Å; K150-Q174 PolarHBondContact O-N 3.45Å; K150-L296 HydrophobicContact CB-CD1 4.18Å; K150-L296 HydrophobicContact CB-CD2 3.82Å; K150-L296 HydrophobicContact CD-CD1 4.31Å; K150-L296 HydrophobicContact CD-CD2 4.32Å |
| 151 | T | 97.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.7 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | D126 P171 K173 | D126-T151 WeakPolarHBondContact CB-OG1 3.45Å; D126-T151 WeakPolarHBondContact OD2-CB 3.46Å; D126-T151 PolarHBondContact OD2-OG1 2.85Å; T151-P171 HydrophobicContact CG2-CB 3.69Å; T151-P171 HydrophobicContact CG2-CG 3.72Å; T151-K173 PolarHBondContact OG1-NZ 2.92Å |
| 152 | V | 97.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 47 Ų | 47 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | trans | -135.8 | 153.6 | 178.8 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | R154 P172 Q174 | V152-R154 PolarHBondContact O-N 3.18Å; V152-P172 HydrophobicContact CG2-CB 4.28Å; V152-P172 WeakPolarHBondContact CG2-O 3.44Å; V152-P172 PolarHBondContact N-O 2.9Å; V152-Q174 HydrophobicContact CG1-CB 3.51Å; V152-Q174 HydrophobicContact CG1-CG 3.95Å | ||
| 153 | S | 96.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | trans | -55.8 | 132.4 | 178.7 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | F155 | S153-F155 VanDerWaalsContact C-N 3.29Å; S153-F155 PolarHBondContact O-N 2.76Å; S153-F155 VanDerWaalsContact OG-CD2 3.26Å; S153-F155 WeakPolarHBondContact OG-CD2 3.34Å; S153-F155 PolarHBondContact OG-N 2.6Å | ||
| 154 | R | 95.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -64.1 | -28.3 | 176.2 | 57.4 | -178.8 | 74.1 | -173.2 | -1.5 | 113.5 | V65 E68 D69 V152 R156 K157 L162 P172 | V65-R154 HydrophobicContact CG1-CG 4.16Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 3.61Å; E68-R154 PolarHBondContact OE1-NH1 2.85Å; E68-R154 IonicContact OE1-NH2 3.51Å; E68-R154 PolarHBondContact OE1-NH2 3.14Å; E68-R154 IonicContact OE2-CZ 2.64Å; E68-R154 IonicContact OE2-NH1 2.78Å; E68-R154 PolarHBondContact OE2-NH1 3.18Å; E68-R154 IonicContact OE2-NH2 3.43Å; D69-R154 IonicContact OD1-CZ 2.94Å; D69-R154 IonicContact OD1-NE 3.04Å; D69-R154 IonicContact OD1-NH2 3.46Å; D69-R154 PolarHBondContact OD1-NH2 2.9Å; V152-R154 PolarHBondContact O-N 3.18Å; R154-R156 PolarHBondContact O-N 2.9Å; R154-R156 VanDerWaalsContact O-N 3.08Å; R154-K157 PolarHBondContact O-N 3.45Å; R154-L162 HydrophobicContact CB-CD2 3.75Å; R154-P172 HydrophobicContact CB-CG 4.16Å |
| 155 | F | 94.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 54 Ų | 54 | 32% | 0.316 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -65.2 | -17.1 | -175.1 | -58.5 | -58.1 | 0 | 0 | 0 | 115.3 | W49 I61 V65 S153 | W49-F155 HydrophobicContact CB-CB 3.97Å; W49-F155 HydrophobicContact CB-CD1 3.63Å; W49-F155 HydrophobicContact CB-CE1 4.31Å; W49-F155 HydrophobicContact CB-CG 3.9Å; W49-F155 HydrophobicContact CD2-CB 4.4Å; W49-F155 AromaticContact CD2-CD1 3.99Å; W49-F155 HydrophobicContact CD2-CD1 3.99Å; W49-F155 AromaticContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.02Å; W49-F155 AromaticContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CZ 4.18Å; W49-F155 HydrophobicContact CE3-CD1 4.16Å; W49-F155 HydrophobicContact CE3-CD2 4.2Å; W49-F155 AromaticContact CE3-CE1 3.87Å; W49-F155 HydrophobicContact CE3-CE1 3.87Å; W49-F155 AromaticContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CG 4.32Å; W49-F155 AromaticContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CG-CB 3.72Å; W49-F155 AromaticContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD2 4.05Å; W49-F155 HydrophobicContact CG-CE1 4.37Å; W49-F155 AromaticContact CG-CG 3.58Å; W49-F155 HydrophobicContact CG-CG 3.58Å; W49-F155 HydrophobicContact CZ3-CE2 4.17Å; W49-F155 HydrophobicContact CZ3-CZ 4.12Å; I61-F155 HydrophobicContact CG2-CZ 3.85Å; V65-F155 HydrophobicContact CG2-CZ 3.86Å; S153-F155 VanDerWaalsContact C-N 3.29Å; S153-F155 PolarHBondContact O-N 2.76Å; S153-F155 VanDerWaalsContact OG-CD2 3.26Å; S153-F155 WeakPolarHBondContact OG-CD2 3.34Å; S153-F155 PolarHBondContact OG-N 2.6Å |
| 156 | R | 94.3 | Very high | 96.8 | Very high | 224 Ų | 224 | 62.5 Ų | 62.5 | 85% | 0.845 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -111.5 | 23.9 | -177.3 | -60.1 | -176.7 | -176.9 | -177.6 | 0.5 | 112.7 | R154 | R154-R156 PolarHBondContact O-N 2.9Å; R154-R156 VanDerWaalsContact O-N 3.08Å |
| 157 | K | 96.4 | Very high | 96.7 | Very high | 68 Ų | 68 | 70 Ų | 70 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -115.7 | 150 | -178.4 | -64.1 | -64 | -179 | 173.4 | 0 | 110.7 | R154 L162 P172 | R154-K157 PolarHBondContact O-N 3.45Å; K157-L162 HydrophobicContact CB-CD2 3.85Å; K157-L162 HydrophobicContact CB-CG 4.08Å; K157-P172 HydrophobicContact CG-CB 4.22Å |
| 158 | A | 96.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 71.4 Ų | 71.4 | 51% | 0.512 | 35% | 0.352 | S | S | . | . | trans | -66.8 | 148.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P160 V161 L162 | A158-P160 VanDerWaalsContact C-CD 3.44Å; A158-V161 HydrophobicContact CB-CG2 4.36Å; A158-V161 WeakPolarHBondContact O-CB 3.3Å; A158-V161 PolarHBondContact O-N 3.03Å; A158-L162 PolarHBondContact O-N 3.43Å; A158-L162 VanDerWaalsContact O-N 3.16Å | ||
| 159 | T | 96.1 | Very high | 96.5 | Very high | 99 Ų | 99 | 72.4 Ų | 72.4 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -54.5 | -41.7 | -178.8 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | V161 L162 E163 | T159-V161 PolarHBondContact O-N 3.4Å; T159-L162 WeakPolarHBondContact O-CB 3.4Å; T159-L162 PolarHBondContact O-N 2.94Å; T159-E163 WeakPolarHBondContact O-CG 3.34Å; T159-E163 PolarHBondContact O-N 2.99Å |
| 160 | P | 97.8 | Very high | 96.5 | Very high | 83 Ų | 83 | 72.5 Ų | 72.5 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.5 | -28.1 | 179.7 | -18.9 | 34.1 | 0 | 0 | 0 | 112.7 | A158 F164 | A158-P160 VanDerWaalsContact C-CD 3.44Å; P160-F164 WeakPolarHBondContact O-CB 3.49Å; P160-F164 PolarHBondContact O-N 2.88Å; P160-F164 VanDerWaalsContact O-N 3.15Å |
| 161 | V | 97.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 69.5 Ų | 69.5 | 35% | 0.352 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | A158 T159 F164 Y165 | A158-V161 HydrophobicContact CB-CG2 4.36Å; A158-V161 WeakPolarHBondContact O-CB 3.3Å; A158-V161 PolarHBondContact O-N 3.03Å; T159-V161 PolarHBondContact O-N 3.4Å; V161-F164 PolarHBondContact O-N 3.39Å; V161-Y165 HydrophobicContact CG1-CD2 3.74Å; V161-Y165 HydrophobicContact CG1-CE2 3.64Å; V161-Y165 WeakPolarHBondContact O-CD2 3.46Å; V161-Y165 PolarHBondContact O-N 3.5Å; V161-Y165 VanDerWaalsContact O-N 3.13Å |
| 162 | L | 96.2 | Very high | 96.6 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 29% | 0.293 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.5 | -65.6 | 178.3 | 0 | 0 | 0 | 112.1 | R154 K157 A158 T159 Y165 R166 P172 | R154-L162 HydrophobicContact CB-CD2 3.75Å; K157-L162 HydrophobicContact CB-CD2 3.85Å; K157-L162 HydrophobicContact CB-CG 4.08Å; A158-L162 PolarHBondContact O-N 3.43Å; A158-L162 VanDerWaalsContact O-N 3.16Å; T159-L162 WeakPolarHBondContact O-CB 3.4Å; T159-L162 PolarHBondContact O-N 2.94Å; L162-Y165 PolarHBondContact O-N 2.81Å; L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 PolarHBondContact O-N 3.27Å; L162-P172 HydrophobicContact CD2-CG 3.83Å |
| 163 | E | 97.7 | Very high | 96.6 | Very high | 93 Ų | 93 | 66.9 Ų | 66.9 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 176.1 | -71 | 167.2 | 178.5 | 0 | 0 | 111.5 | T159 Y165 R166 E167 | T159-E163 WeakPolarHBondContact O-CG 3.34Å; T159-E163 PolarHBondContact O-N 2.99Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 PolarHBondContact O-N 3.12Å; E163-R166 WeakPolarHBondContact O-CB 3.16Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-R166 VanDerWaalsContact O-N 3.16Å; E163-E167 PolarHBondContact O-N 2.68Å |
| 164 | F | 97.9 | Very high | 96.6 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56 | -44.9 | 174.9 | 172.3 | -96.7 | 0 | 0 | 0 | 112.8 | L130 K131 P160 V161 L168 | L130-F164 HydrophobicContact CB-CE1 4.15Å; L130-F164 HydrophobicContact CB-CZ 4Å; L130-F164 HydrophobicContact CD1-CE1 4.45Å; K131-F164 HydrophobicContact CB-CZ 4.47Å; P160-F164 WeakPolarHBondContact O-CB 3.49Å; P160-F164 PolarHBondContact O-N 2.88Å; P160-F164 VanDerWaalsContact O-N 3.15Å; V161-F164 PolarHBondContact O-N 3.39Å; F164-L168 HydrophobicContact CE1-CD2 4.41Å; F164-L168 PolarHBondContact O-N 3.01Å |
| 165 | Y | 97.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.5 | -31.1 | 179.2 | -84 | -69.5 | 0 | 0 | 0 | 112.9 | L130 V161 L162 E163 L168 G169 L170 P172 K173 | L130-Y165 HydrophobicContact CD1-CE1 4.38Å; L130-Y165 WeakPolarHBondContact CD1-OH 3.42Å; L130-Y165 HydrophobicContact CD2-CE1 3.78Å; V161-Y165 HydrophobicContact CG1-CD2 3.74Å; V161-Y165 HydrophobicContact CG1-CE2 3.64Å; V161-Y165 WeakPolarHBondContact O-CD2 3.46Å; V161-Y165 PolarHBondContact O-N 3.5Å; V161-Y165 VanDerWaalsContact O-N 3.13Å; L162-Y165 PolarHBondContact O-N 2.81Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 PolarHBondContact O-N 3.12Å; Y165-L168 PolarHBondContact O-N 3.04Å; Y165-G169 PolarHBondContact O-N 3.27Å; Y165-L170 WeakPolarHBondContact CB-O 3.38Å; Y165-L170 HydrophobicContact CD1-CB 4.39Å; Y165-L170 WeakPolarHBondContact CD1-O 3.32Å; Y165-L170 PolarHBondContact O-N 2.91Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.09Å; Y165-P172 HydrophobicContact CE2-CB 4.02Å; Y165-P172 HydrophobicContact CG-CB 4.28Å; Y165-P172 HydrophobicContact CG-CG 4.25Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 WeakPolarHBondContact OH-CB 3.42Å; Y165-K173 PolarHBondContact OH-N 2.94Å |
| 166 | R | 96.3 | Very high | 96.9 | Very high | 180 Ų | 180 | 67.6 Ų | 67.6 | 68% | 0.679 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 174.3 | -177 | -179.4 | 65.4 | -171 | -2.1 | 111.4 | L162 E163 L168 G169 | L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 PolarHBondContact O-N 3.27Å; E163-R166 WeakPolarHBondContact O-CB 3.16Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-R166 VanDerWaalsContact O-N 3.16Å; R166-L168 VanDerWaalsContact C-N 3.28Å; R166-L168 PolarHBondContact O-N 2.9Å; R166-G169 PolarHBondContact O-N 3.08Å |
| 167 | E | 96.7 | Very high | 97.1 | Very high | 160 Ų | 160 | 59.4 Ų | 59.4 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -36.1 | 175.3 | -71.5 | 172.4 | -169.2 | 0 | 0 | 112.1 | E163 | E163-E167 PolarHBondContact O-N 2.68Å |
| 168 | L | 95.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.3 | -21.3 | 178.9 | -168.1 | 64.3 | 0 | 0 | 0 | 113.4 | L130 F164 Y165 R166 L170 P189 | L130-L168 HydrophobicContact CB-CD2 4.31Å; L130-L168 HydrophobicContact CD2-CD2 3.71Å; F164-L168 HydrophobicContact CE1-CD2 4.41Å; F164-L168 PolarHBondContact O-N 3.01Å; Y165-L168 PolarHBondContact O-N 3.04Å; R166-L168 VanDerWaalsContact C-N 3.28Å; R166-L168 PolarHBondContact O-N 2.9Å; L168-L170 HydrophobicContact CD2-CB 4.38Å; L168-L170 HydrophobicContact CD2-CD1 3.83Å; L168-L170 HydrophobicContact CG-CB 4.49Å; L168-L170 HydrophobicContact CG-CD1 4.12Å; L168-L170 HydrophobicContact CG-CG 4.44Å; L168-P189 HydrophobicContact CD1-CB 3.9Å |
| 169 | G | 95.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 37.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y165 R166 | Y165-G169 PolarHBondContact O-N 3.27Å; R166-G169 PolarHBondContact O-N 3.08Å |
| 170 | L | 96.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -132.9 | 149 | 178.3 | -80.4 | 176.3 | 0 | 0 | 0 | 110.9 | L73 K76 H128 Y165 L168 | L73-L170 HydrophobicContact CD2-CD2 4.17Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.85Å; K76-L170 HydrophobicContact CG-CG 4.42Å; H128-L170 HydrophobicContact CB-CD1 3.74Å; Y165-L170 WeakPolarHBondContact CB-O 3.38Å; Y165-L170 HydrophobicContact CD1-CB 4.39Å; Y165-L170 WeakPolarHBondContact CD1-O 3.32Å; Y165-L170 PolarHBondContact O-N 2.91Å; L168-L170 HydrophobicContact CD2-CB 4.38Å; L168-L170 HydrophobicContact CD2-CD1 3.83Å; L168-L170 HydrophobicContact CG-CB 4.49Å; L168-L170 HydrophobicContact CG-CD1 4.12Å; L168-L170 HydrophobicContact CG-CG 4.44Å |
| 171 | P | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 150.5 | 175.2 | 30.5 | -35.6 | 0 | 0 | 0 | 111.3 | D69 L73 T151 K173 | D69-P171 HydrophobicContact CB-CB 4.35Å; D69-P171 WeakPolarHBondContact OD1-CB 3.49Å; L73-P171 HydrophobicContact CD1-CG 4.29Å; L73-P171 HydrophobicContact CD2-CG 3.85Å; L73-P171 HydrophobicContact CG-CG 3.96Å; T151-P171 HydrophobicContact CG2-CB 3.69Å; T151-P171 HydrophobicContact CG2-CG 3.72Å; P171-K173 WeakPolarHBondContact O-CD 3.49Å |
| 172 | P | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 139.5 | -175.6 | -25.7 | 34.9 | 0 | 0 | 0 | 113.8 | V152 R154 K157 L162 Y165 | V152-P172 HydrophobicContact CG2-CB 4.28Å; V152-P172 WeakPolarHBondContact CG2-O 3.44Å; V152-P172 PolarHBondContact N-O 2.9Å; R154-P172 HydrophobicContact CB-CG 4.16Å; K157-P172 HydrophobicContact CG-CB 4.22Å; L162-P172 HydrophobicContact CD2-CG 3.83Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.09Å; Y165-P172 HydrophobicContact CE2-CB 4.02Å; Y165-P172 HydrophobicContact CG-CB 4.28Å; Y165-P172 HydrophobicContact CG-CG 4.25Å |
| 173 | K | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 152.4 | 178.4 | -52.4 | -53.2 | -174 | -161.8 | 0 | 112.9 | D126 K150 T151 Y165 P171 | D126-K173 WeakPolarHBondContact O-CE 3.34Å; K150-K173 CarbonylContact O-C 3.58Å; K150-K173 WeakPolarHBondContact O-CA 3.26Å; T151-K173 PolarHBondContact OG1-NZ 2.92Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 WeakPolarHBondContact OH-CB 3.42Å; Y165-K173 PolarHBondContact OH-N 2.94Å; P171-K173 WeakPolarHBondContact O-CD 3.49Å |
| 174 | Q | 97.1 | Very high | 97 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -48.9 | -176.7 | -169.6 | 172.5 | -23 | 0 | 0 | 111.9 | G149 K150 V152 L296 | G149-Q174 PolarHBondContact O-N 2.82Å; K150-Q174 HydrophobicContact CB-CB 4.35Å; K150-Q174 VanDerWaalsContact CD-OE1 3.26Å; K150-Q174 VanDerWaalsContact CE-OE1 3.32Å; K150-Q174 PolarHBondContact O-N 3.45Å; V152-Q174 HydrophobicContact CG1-CB 3.51Å; V152-Q174 HydrophobicContact CG1-CG 3.95Å; Q174-L296 HydrophobicContact CB-CD1 3.68Å; Q174-L296 HydrophobicContact CG-CD1 3.83Å |
| 175 | T | 97.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.2 | -179.5 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | G148 G149 L296 | G148-T175 WeakPolarHBondContact CA-O 3.49Å; G149-T175 PolarHBondContact N-O 3.06Å; T175-L296 HydrophobicContact CG2-CB 4.24Å; T175-L296 HydrophobicContact CG2-CD1 3.59Å; T175-L296 WeakPolarHBondContact OG1-CD1 3.36Å |
| 176 | V | 98.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.2 | 171 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | L130 V147 | L130-V176 HydrophobicContact CD1-CB 4.31Å; L130-V176 HydrophobicContact CD1-CG1 3.83Å; L130-V176 HydrophobicContact CD1-CG2 3.55Å; V147-V176 CarbonylContact O-C 3.6Å; V147-V176 WeakPolarHBondContact O-CA 3.46Å |
| 177 | K | 98.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 22% | 0.222 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.9 | 175.2 | -61.4 | -64.1 | 174 | -165.1 | 0 | 109.8 | I100 V147 F179 Y265 K298 | I100-K177 HydrophobicContact CD1-CB 3.89Å; I100-K177 HydrophobicContact CD1-CG 3.79Å; I100-K177 HydrophobicContact CG1-CB 4.35Å; I100-K177 HydrophobicContact CG1-CG 4.26Å; V147-K177 PolarHBondContact N-O 2.87Å; V147-K177 PolarHBondContact O-N 2.76Å; K177-F179 HydrophobicContact CB-CE2 4.04Å; K177-Y265 PolarHBondContact NZ-OH 3.21Å; K177-K298 HydrophobicContact CB-CD 4.22Å; K177-K298 HydrophobicContact CB-CG 4.32Å; K177-K298 HydrophobicContact CG-CB 4.34Å; K177-K298 HydrophobicContact CG-CD 4.44Å; K177-K298 HydrophobicContact CG-CG 4.38Å |
| 178 | I | 98 | Very high | 96.8 | Very high | 81 Ų | 81 | 33.1 Ų | 33.1 | 42% | 0.415 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.6 | 177.7 | -55.7 | 173.1 | 0 | 0 | 0 | 108.4 | A144 L145 K298 | A144-I178 HydrophobicContact CB-CG2 3.71Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.36Å; I178-K298 PolarHBondContact O-NZ 2.83Å |
| 179 | F | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131 | 173.8 | -65.6 | -93.3 | 0 | 0 | 0 | 108.5 | G98 A144 L145 V147 K177 K298 V299 R300 | G98-F179 VanDerWaalsContact CA-CE1 3.44Å; A144-F179 WeakPolarHBondContact CA-O 3.37Å; L145-F179 PolarHBondContact N-O 3.26Å; L145-F179 PolarHBondContact O-N 2.8Å; V147-F179 HydrophobicContact CB-CD2 4.06Å; V147-F179 HydrophobicContact CB-CE2 3.82Å; V147-F179 HydrophobicContact CG2-CD2 3.77Å; V147-F179 HydrophobicContact CG2-CE2 3.97Å; K177-F179 HydrophobicContact CB-CE2 4.04Å; F179-K298 VanDerWaalsContact CD1-CE 3.43Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.43Å; F179-K298 HydrophobicContact CZ-CD 4.14Å; F179-K298 HydrophobicContact CZ-CG 3.48Å; F179-K298 VanDerWaalsContact CZ-CG 3.48Å; F179-V299 WeakPolarHBondContact CE1-O 3.28Å; F179-R300 HydrophobicContact CD1-CB 4.29Å; F179-R300 HydrophobicContact CE1-CB 4.1Å |
| 180 | N | 97.2 | Very high | 96.9 | Very high | 88 Ų | 88 | 33 Ų | 33 | 47% | 0.471 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.4 | 172.5 | -62.9 | -7.1 | 0 | 0 | 0 | 107 | H138 A143 | H138-N180 PolarHBondContact CE1-OD1 2.89Å; A143-N180 WeakPolarHBondContact O-CA 3.37Å |
| 181 | I | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 163.6 | -177.6 | 58.7 | 148.8 | 0 | 0 | 0 | 110.3 | F95 V97 Y132 T142 A143 L145 A185 | F95-I181 WeakPolarHBondContact O-CA 3.38Å; F95-I181 WeakPolarHBondContact O-CB 3.36Å; V97-I181 HydrophobicContact CB-CG2 4.48Å; Y132-I181 HydrophobicContact CD2-CD1 4.49Å; Y132-I181 HydrophobicContact CE2-CD1 4.19Å; T142-I181 WeakPolarHBondContact CB-O 3.46Å; A143-I181 HydrophobicContact CB-CD1 4.35Å; A143-I181 HydrophobicContact CB-CG1 4.03Å; A143-I181 PolarHBondContact N-O 3.27Å; A143-I181 VanDerWaalsContact N-O 3.14Å; A143-I181 PolarHBondContact O-N 3.15Å; L145-I181 HydrophobicContact CD1-CD1 3.57Å; L145-I181 HydrophobicContact CD1-CG1 4.34Å; L145-I181 HydrophobicContact CD1-CG2 4.23Å; L145-I181 HydrophobicContact CG-CD1 3.55Å; L145-I181 HydrophobicContact CG-CG1 4.12Å; I181-A185 HydrophobicContact CB-CB 4.37Å; I181-A185 WeakPolarHBondContact CD1-O 3.47Å |
| 182 | T | 95.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | trans | -85.2 | 159.1 | 166.1 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | F95 N184 A185 | F95-T182 HydrophobicContact CB-CG2 4.29Å; F95-T182 HydrophobicContact CD2-CG2 3.79Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.32Å; F95-T182 PolarHBondContact O-N 3.23Å; F95-T182 VanDerWaalsContact O-N 3.12Å; F95-T182 PolarHBondContact O-OG1 2.93Å; T182-N184 VanDerWaalsContact C-N 3.27Å; T182-N184 WeakPolarHBondContact CB-OD1 3.41Å; T182-N184 PolarHBondContact O-N 2.84Å; T182-N184 PolarHBondContact OG1-OD1 3.14Å; T182-A185 PolarHBondContact O-N 2.96Å | ||
| 183 | D | 94.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 33.6 Ų | 33.6 | 44% | 0.439 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -64.7 | -32 | -173.1 | -59.9 | -28.3 | 0 | 0 | 0 | 112.2 | A143 A185 A186 | A143-D183 WeakPolarHBondContact CB-OD1 3.49Å; D183-A185 PolarHBondContact O-N 3.02Å; D183-A186 WeakPolarHBondContact O-CB 3.37Å; D183-A186 PolarHBondContact O-N 2.86Å |
| 184 | N | 95.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -69 | -12.3 | 173.7 | 66.1 | -26.3 | 0 | 0 | 0 | 114.2 | H88 S94 T182 F316 | H88-N184 HydrophobicContact CB-CB 3.81Å; S94-N184 PolarHBondContact OG-ND2 3.17Å; T182-N184 VanDerWaalsContact C-N 3.27Å; T182-N184 WeakPolarHBondContact CB-OD1 3.41Å; T182-N184 PolarHBondContact O-N 2.84Å; T182-N184 PolarHBondContact OG1-OD1 3.14Å; N184-F316 HydrophobicContact CB-CE1 4.44Å; N184-F316 HydrophobicContact CB-CZ 4.35Å; N184-F316 VanDerWaalsContact O-CE1 3.29Å; N184-F316 WeakPolarHBondContact O-CE1 3.27Å; N184-F316 WeakPolarHBondContact O-CZ 3.43Å |
| 185 | A | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -103.1 | 18.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F95 R96 I181 T182 D183 F316 | F95-A185 VanDerWaalsContact O-CB 3.29Å; F95-A185 WeakPolarHBondContact O-CB 3.34Å; R96-A185 HydrophobicContact CB-CB 4.49Å; I181-A185 HydrophobicContact CB-CB 4.37Å; I181-A185 WeakPolarHBondContact CD1-O 3.47Å; T182-A185 PolarHBondContact O-N 2.96Å; D183-A185 PolarHBondContact O-N 3.02Å; A185-F316 HydrophobicContact CB-CE2 3.68Å; A185-F316 HydrophobicContact CB-CZ 3.57Å |
| 186 | A | 96 | Very high | 96.9 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | trans | -66.5 | 135.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W85 Y132 D183 | W85-A186 HydrophobicContact CE3-CB 4.08Å; W85-A186 HydrophobicContact CZ3-CB 4.13Å; Y132-A186 HydrophobicContact CD2-CB 4.41Å; Y132-A186 HydrophobicContact CE2-CB 3.93Å; D183-A186 WeakPolarHBondContact O-CB 3.37Å; D183-A186 PolarHBondContact O-N 2.86Å | ||
| 187 | I | 96.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | trans | -126.4 | 137.5 | 178.9 | -58.5 | 172.9 | 0 | 0 | 0 | 108.2 | V97 V129 L145 T191 L193 P317 T318 | V97-I187 HydrophobicContact CB-CD1 4.24Å; V97-I187 HydrophobicContact CG1-CD1 3.64Å; V129-I187 HydrophobicContact CG2-CB 4.36Å; V129-I187 HydrophobicContact CG2-CG2 4.06Å; L145-I187 HydrophobicContact CD1-CB 4.22Å; L145-I187 HydrophobicContact CD1-CD1 4.49Å; L145-I187 HydrophobicContact CD1-CG1 4.37Å; I187-T191 HydrophobicContact CG2-CG2 3.71Å; I187-L193 HydrophobicContact CD1-CD2 4.39Å; I187-P317 HydrophobicContact CD1-CB 4.13Å; I187-P317 HydrophobicContact CG1-CB 3.88Å; I187-P317 HydrophobicContact CG1-CG 4.19Å; I187-T318 HydrophobicContact CD1-CG2 3.9Å | ||
| 188 | K | 96.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 24 Ų | 24 | 24% | 0.239 | 13% | 0.13 | C | C | . | . | trans | -59.4 | 134.6 | 178 | -173.1 | 178.6 | -179.9 | 174.8 | 0 | 111 | D82 E83 W85 T191 | D82-K188 PolarHBondContact O-NZ 2.85Å; E83-K188 WeakPolarHBondContact O-CD 3.45Å; E83-K188 PolarHBondContact O-NZ 3.27Å; E83-K188 IonicContact OE2-NZ 2.9Å; W85-K188 HydrophobicContact CD2-CB 4.13Å; W85-K188 HydrophobicContact CG-CB 4.14Å; K188-T191 WeakPolarHBondContact O-CB 3.36Å; K188-T191 PolarHBondContact O-N 3.14Å; K188-T191 PolarHBondContact O-OG1 3.31Å | ||
| 189 | P | 97.2 | Very high | 96.8 | Very high | 42 Ų | 42 | 23 Ų | 23 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 144.2 | 171 | -26.1 | 36 | 0 | 0 | 0 | 112.6 | L168 | L168-P189 HydrophobicContact CD1-CB 3.9Š|
| 190 | G | 95.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 6% | 0.062 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -14.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V129 | V129-G190 PolarHBondContact O-N 3.04Š|
| 191 | T | 97 | Very high | 96.8 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | trans | -65.6 | 129.6 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | P79 H128 V129 I187 K188 F320 | P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.17Å; H128-T191 WeakPolarHBondContact CA-O 3.32Å; V129-T191 PolarHBondContact N-O 2.84Å; I187-T191 HydrophobicContact CG2-CG2 3.71Å; K188-T191 WeakPolarHBondContact O-CB 3.36Å; K188-T191 PolarHBondContact O-N 3.14Å; K188-T191 PolarHBondContact O-OG1 3.31Å; T191-F320 HydrophobicContact CG2-CE1 4.09Å | ||
| 192 | P | 97.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.5 | 173.8 | 31.5 | -35.5 | 0 | 0 | 0 | 111.4 | K76 P79 C127 Y194 | K76-P192 WeakPolarHBondContact O-CD 3.47Å; K76-P192 WeakPolarHBondContact O-CG 3.43Å; P79-P192 HydrophobicContact CG-CG 4.12Å; C127-P192 CarbonylContact O-C 3.47Å; P192-Y194 HydrophobicContact CB-CE2 4.03Å; P192-Y194 HydrophobicContact CG-CE2 3.97Å |
| 193 | L | 97.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.8 | 177.6 | -59.8 | 175.3 | 0 | 0 | 0 | 110 | V97 L99 C127 V129 V147 I187 T318 | V97-L193 HydrophobicContact CG1-CD1 4.25Å; V97-L193 HydrophobicContact CG1-CD2 4.21Å; V97-L193 HydrophobicContact CG2-CD1 4.31Å; L99-L193 HydrophobicContact CD2-CB 3.49Å; L99-L193 VanDerWaalsContact CD2-CB 3.49Å; L99-L193 HydrophobicContact CD2-CD1 3.96Å; L99-L193 HydrophobicContact CD2-CG 4.29Å; C127-L193 HydrophobicContact CB-CB 4.25Å; C127-L193 PolarHBondContact O-N 3.45Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.4Å; V129-L193 HydrophobicContact CG2-CG 4.27Å; V147-L193 HydrophobicContact CG1-CD1 4Å; V147-L193 HydrophobicContact CG2-CD1 4.2Å; I187-L193 HydrophobicContact CD1-CD2 4.39Å; L193-T318 HydrophobicContact CD2-CG2 4.06Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.38Å |
| 194 | Y | 97.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 20.4 Ų | 20.4 | 18% | 0.176 | 11% | 0.109 | C | C | . | . | trans | -108.1 | 167 | -175.6 | -59.8 | -80.5 | 0 | 0 | 0 | 112.6 | L77 L99 P192 A196 H197 P321 | L77-Y194 WeakPolarHBondContact CD2-OH 3.37Å; L99-Y194 WeakPolarHBondContact CD1-O 3.21Å; P192-Y194 HydrophobicContact CB-CE2 4.03Å; P192-Y194 HydrophobicContact CG-CE2 3.97Å; Y194-A196 PolarHBondContact O-N 3.02Å; Y194-H197 VanDerWaalsContact O-CB 3.25Å; Y194-H197 WeakPolarHBondContact O-CB 3.35Å; Y194-H197 PolarHBondContact O-N 2.82Å; Y194-P321 HydrophobicContact CD2-CG 4.1Å; Y194-P321 HydrophobicContact CE2-CG 3.65Å | ||
| 195 | A | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -64.3 | -29.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V124 H197 F198 I276 N281 I283 | V124-A195 HydrophobicContact CG2-CB 4.07Å; A195-H197 PolarHBondContact O-N 3.37Å; A195-H197 VanDerWaalsContact O-N 3.12Å; A195-F198 PolarHBondContact O-N 2.69Å; A195-F198 VanDerWaalsContact O-N 3.11Å; A195-I276 HydrophobicContact CB-CG2 4.15Å; A195-N281 VanDerWaalsContact CB-C 3.46Å; A195-N281 HydrophobicContact CB-CB 3.95Å; A195-N281 PolarHBondContact N-OD1 3.29Å; A195-I283 HydrophobicContact CB-CD1 4.4Å; A195-I283 HydrophobicContact CB-CG1 3.86Å |
| 196 | A | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -68.1 | -3.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y194 F198 Y319 L328 | Y194-A196 PolarHBondContact O-N 3.02Å; A196-F198 CarbonylContact C-O 3.6Å; A196-F198 PolarHBondContact O-N 3.21Å; A196-F198 VanDerWaalsContact O-O 3.12Å; A196-Y319 HydrophobicContact CB-CD1 3.54Å; A196-Y319 HydrophobicContact CB-CD2 4.31Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CE2 4.5Å; A196-Y319 HydrophobicContact CB-CG 3.81Å; A196-L328 HydrophobicContact CB-CD1 3.9Å |
| 197 | H | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -54.6 | -35.1 | 163.4 | 178.4 | 85.3 | 0 | 0 | 0 | 111.3 | R96 V97 L99 Y194 A195 P315 T318 | R96-H197 PolarHBondContact NH1-O 2.78Å; R96-H197 PolarHBondContact NH2-O 2.84Å; V97-H197 PolarHBondContact O-NE2 2.82Å; L99-H197 HydrophobicContact CD1-CB 4.2Å; L99-H197 HydrophobicContact CD2-CB 4.38Å; Y194-H197 VanDerWaalsContact O-CB 3.25Å; Y194-H197 WeakPolarHBondContact O-CB 3.35Å; Y194-H197 PolarHBondContact O-N 2.82Å; A195-H197 PolarHBondContact O-N 3.37Å; A195-H197 VanDerWaalsContact O-N 3.12Å; H197-P315 WeakPolarHBondContact O-CG 3.17Å; H197-T318 PolarHBondContact ND1-OG1 3.11Å |
| 198 | F | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -92.2 | 153.3 | 174.6 | -75.8 | -48.7 | 0 | 0 | 0 | 109.6 | L99 A195 A196 Q202 V204 I276 I283 V299 D301 | L99-F198 HydrophobicContact CB-CE2 3.98Å; L99-F198 HydrophobicContact CD1-CD2 3.58Å; L99-F198 HydrophobicContact CD1-CE2 3.48Å; L99-F198 VanDerWaalsContact CD1-CE2 3.48Å; L99-F198 HydrophobicContact CG-CD2 4.17Å; L99-F198 HydrophobicContact CG-CE2 3.57Å; L99-F198 HydrophobicContact CG-CZ 4.33Å; A195-F198 PolarHBondContact O-N 2.69Å; A195-F198 VanDerWaalsContact O-N 3.11Å; A196-F198 CarbonylContact C-O 3.6Å; A196-F198 PolarHBondContact O-N 3.21Å; A196-F198 VanDerWaalsContact O-O 3.12Å; F198-Q202 VanDerWaalsContact CG-NE2 3.28Å; F198-V204 HydrophobicContact CD1-CG1 3.89Å; F198-V204 HydrophobicContact CE1-CG1 3.78Å; F198-V204 HydrophobicContact CZ-CG1 4.36Å; F198-I276 HydrophobicContact CB-CD1 3.88Å; F198-I276 WeakPolarHBondContact O-CD1 3.38Å; F198-I283 HydrophobicContact CD2-CD1 3.61Å; F198-I283 HydrophobicContact CE2-CD1 4.19Å; F198-V299 HydrophobicContact CE2-CB 4.1Å; F198-V299 HydrophobicContact CE2-CG1 3.63Å; F198-V299 HydrophobicContact CZ-CB 4.26Å; F198-V299 HydrophobicContact CZ-CG1 3.67Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.44Å |
| 199 | R | 97.6 | Very high | 97.7 | Very high | 61 Ų | 61 | 21.4 Ų | 21.4 | 23% | 0.23 | 11% | 0.111 | C | C | . | . | trans | -125.5 | 151.7 | 173 | -62.8 | -66.1 | 178.5 | 139.6 | 0.3 | 110.9 | Q202 L314 | R199-Q202 WeakPolarHBondContact O-CG 3.43Å; R199-Q202 PolarHBondContact O-NE2 3.25Å; R199-Q202 VanDerWaalsContact O-NE2 3.14Å; R199-L314 HydrophobicContact CB-CD2 3.74Å; R199-L314 HydrophobicContact CG-CD2 3.92Å | ||
| 200 | P | 97.7 | Very high | 97.7 | Very high | 31 Ų | 31 | 20.9 Ų | 20.9 | 20% | 0.201 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 152.8 | 174.2 | -21.4 | 32.9 | 0 | 0 | 0 | 111.9 | Q202 I276 L332 D334 | P200-Q202 VanDerWaalsContact C-N 3.28Å; P200-Q202 PolarHBondContact O-N 2.99Å; P200-I276 HydrophobicContact CG-CG1 4.45Å; P200-L332 HydrophobicContact CG-CB 3.62Å; P200-L332 VanDerWaalsContact CG-O 3.32Å; P200-L332 WeakPolarHBondContact CG-O 3.18Å; P200-D334 HydrophobicContact CB-CB 3.91Å |
| 201 | G | 96.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -23.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | V273 | G201-V273 PolarHBondContact N-O 3.22Š|
| 202 | Q | 96.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | trans | -76.2 | 163.9 | -179.5 | 83.2 | -167.4 | -22 | 0 | 0 | 113 | F198 R199 P200 V204 K272 V273 | F198-Q202 VanDerWaalsContact CG-NE2 3.28Å; R199-Q202 WeakPolarHBondContact O-CG 3.43Å; R199-Q202 PolarHBondContact O-NE2 3.25Å; R199-Q202 VanDerWaalsContact O-NE2 3.14Å; P200-Q202 VanDerWaalsContact C-N 3.28Å; P200-Q202 PolarHBondContact O-N 2.99Å; Q202-V204 HydrophobicContact CG-CG1 4.29Å; Q202-K272 CarbonylContact O-C 3.49Å; Q202-K272 WeakPolarHBondContact O-CA 3.43Å; Q202-V273 HydrophobicContact CG-CB 4.26Å; Q202-V273 HydrophobicContact CG-CG2 3.97Å; Q202-V273 PolarHBondContact O-N 3.3Å | ||
| 203 | Y | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 31.5 Ų | 31.5 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.3 | 175 | -70 | -96 | 0 | 0 | 0 | 112.4 | G270 L271 K272 S302 Y307 | Y203-G270 WeakPolarHBondContact CD1-O 3.36Å; Y203-L271 WeakPolarHBondContact CA-O 3.45Å; Y203-K272 HydrophobicContact CD1-CB 4.15Å; Y203-K272 HydrophobicContact CE1-CB 3.85Å; Y203-K272 HydrophobicContact CE1-CG 4.45Å; Y203-S302 WeakPolarHBondContact O-CB 3.29Å; Y203-S302 PolarHBondContact O-N 2.73Å; Y203-Y307 HydrophobicContact CD1-CD2 4.25Å; Y203-Y307 HydrophobicContact CD1-CE1 4.23Å; Y203-Y307 AromaticContact CD1-CE2 3.64Å; Y203-Y307 HydrophobicContact CD1-CE2 3.64Å; Y203-Y307 AromaticContact CD1-CZ 3.63Å; Y203-Y307 AromaticContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD2 4.2Å; Y203-Y307 AromaticContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE2 4.14Å; Y203-Y307 AromaticContact CD2-CG 3.96Å; Y203-Y307 HydrophobicContact CD2-CG 3.96Å; Y203-Y307 AromaticContact CD2-CZ 3.82Å; Y203-Y307 HydrophobicContact CE1-CE1 4.17Å; Y203-Y307 HydrophobicContact CE1-CE2 4.12Å; Y203-Y307 AromaticContact CE1-CZ 3.64Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.49Å; Y203-Y307 AromaticContact CE2-CD1 3.98Å; Y203-Y307 HydrophobicContact CE2-CD1 3.98Å; Y203-Y307 AromaticContact CE2-CE1 3.5Å; Y203-Y307 HydrophobicContact CE2-CE1 3.5Å; Y203-Y307 AromaticContact CE2-CZ 3.86Å; Y203-Y307 HydrophobicContact CG-CD1 4.07Å; Y203-Y307 AromaticContact CG-CD2 3.78Å; Y203-Y307 HydrophobicContact CG-CD2 3.78Å; Y203-Y307 AromaticContact CG-CE1 3.93Å; Y203-Y307 HydrophobicContact CG-CE1 3.93Å; Y203-Y307 AromaticContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CG 4.01Å; Y203-Y307 AromaticContact CG-CZ 3.71Å; Y203-Y307 AromaticContact CZ-CE1 3.81Å; Y203-Y307 AromaticContact CZ-CZ 3.75Å |
| 204 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.3 | 179.7 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | F198 Q202 V206 L271 V273 V285 V299 R300 | F198-V204 HydrophobicContact CD1-CG1 3.89Å; F198-V204 HydrophobicContact CE1-CG1 3.78Å; F198-V204 HydrophobicContact CZ-CG1 4.36Å; Q202-V204 HydrophobicContact CG-CG1 4.29Å; V204-V206 HydrophobicContact CG2-CG2 4.33Å; V204-L271 HydrophobicContact CG2-CB 4.44Å; V204-L271 WeakPolarHBondContact CG2-O 3.24Å; V204-L271 PolarHBondContact N-O 2.94Å; V204-L271 PolarHBondContact O-N 2.76Å; V204-V273 HydrophobicContact CG1-CG2 3.89Å; V204-V273 HydrophobicContact CG2-CG2 3.92Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.19Å; V204-V299 HydrophobicContact CB-CG1 3.99Å; V204-V299 HydrophobicContact CG1-CG1 4.3Å; V204-V299 HydrophobicContact CG2-CG1 4.15Å; V204-R300 CarbonylContact C-O 3.59Å; V204-R300 WeakPolarHBondContact CA-O 3.31Å; V204-R300 WeakPolarHBondContact CB-O 3.15Å |
| 205 | D | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.2 | 169.8 | -64.4 | -16.2 | 0 | 0 | 0 | 109.8 | T267 A268 F269 G270 R300 S302 K303 | D205-T267 HydrophobicContact CB-CG2 4.1Å; D205-A268 WeakPolarHBondContact CA-O 3.46Å; D205-F269 HydrophobicContact CB-CD1 4.21Å; D205-F269 WeakPolarHBondContact OD1-CA 3.46Å; D205-F269 WeakPolarHBondContact OD1-CD1 3.38Å; D205-F269 VanDerWaalsContact OD2-CD1 3.24Å; D205-F269 WeakPolarHBondContact OD2-CD1 3.41Å; D205-G270 PolarHBondContact OD1-N 3.03Å; D205-R300 HydrophobicContact CB-CG 4.19Å; D205-R300 PolarHBondContact N-O 3.16Å; D205-R300 PolarHBondContact O-N 3.18Å; D205-R300 VanDerWaalsContact O-N 3.09Å; D205-R300 IonicContact OD2-CZ 3.71Å; D205-R300 IonicContact OD2-NH1 2.88Å; D205-R300 PolarHBondContact OD2-NH1 2.64Å; D205-R300 IonicContact OD2-NH2 3.57Å; D205-R300 PolarHBondContact OD2-NH2 3.14Å; D205-S302 WeakPolarHBondContact OD1-CA 3.44Å; D205-S302 WeakPolarHBondContact OD1-CB 3.46Å; D205-S302 PolarHBondContact OD1-OG 2.94Å; D205-K303 WeakPolarHBondContact OD2-CG 3.39Å; D205-K303 PolarHBondContact OD2-N 3.38Å |
| 206 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122 | -179 | -170 | 0 | 0 | 0 | 0 | 111.1 | L122 V204 T267 A268 L271 V289 V297 K298 V299 | L122-V206 HydrophobicContact CD1-CG2 4.29Å; V204-V206 HydrophobicContact CG2-CG2 4.33Å; V206-T267 CarbonylContact O-C 3.51Å; V206-T267 VanDerWaalsContact O-CA 3.29Å; V206-T267 WeakPolarHBondContact O-CA 3.12Å; V206-A268 PolarHBondContact N-O 2.96Å; V206-A268 PolarHBondContact O-N 2.92Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4Å; V206-V289 HydrophobicContact CB-CG1 4.12Å; V206-V289 HydrophobicContact CB-CG2 4.4Å; V206-V289 HydrophobicContact CG1-CG1 3.39Å; V206-V289 HydrophobicContact CG1-CG2 4.33Å; V206-V289 HydrophobicContact CG2-CG2 4.38Å; V206-V297 HydrophobicContact CG1-CB 3.83Å; V206-V297 HydrophobicContact CG1-CG2 3.93Å; V206-K298 CarbonylContact C-O 3.46Å; V206-K298 WeakPolarHBondContact CA-O 3.5Å; V206-V299 HydrophobicContact CG1-CG2 4.26Å; V206-V299 HydrophobicContact CG2-CG1 4.29Å; V206-V299 HydrophobicContact CG2-CG2 4.26Å |
| 207 | T | 98.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.7 | 178.3 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | Y265 R266 T267 K298 | T207-Y265 HydrophobicContact CG2-CD1 4.37Å; T207-R266 WeakPolarHBondContact CA-O 3.47Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.21Å; T207-T267 VanDerWaalsContact OG1-CG2 3.31Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.16Å; T207-T267 PolarHBondContact OG1-OG1 2.82Å; T207-K298 PolarHBondContact N-O 3.16Å; T207-K298 PolarHBondContact O-N 3.3Å |
| 208 | A | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 167.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y265 R266 P290 V297 | A208-Y265 WeakPolarHBondContact O-CA 3.37Å; A208-R266 PolarHBondContact N-O 2.78Å; A208-R266 PolarHBondContact O-N 2.91Å; A208-P290 HydrophobicContact CB-CB 4.36Å; A208-P290 HydrophobicContact CB-CG 4.1Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.45Å; A208-V297 HydrophobicContact CB-CB 4.11Å; A208-V297 HydrophobicContact CB-CG1 3.67Å |
| 209 | K | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 126.7 | 169.7 | -75.3 | -171.1 | 173.5 | -174.3 | 0 | 109.7 | I264 Y265 G291 | K209-I264 WeakPolarHBondContact CA-O 3.32Å; K209-Y265 HydrophobicContact CD-CE1 4.47Å; K209-Y265 HydrophobicContact CD-CE2 4.47Å; K209-Y265 HydrophobicContact CG-CD1 3.82Å; K209-Y265 HydrophobicContact CG-CD2 4.28Å; K209-Y265 HydrophobicContact CG-CE1 3.56Å; K209-Y265 HydrophobicContact CG-CE2 4.06Å; K209-Y265 HydrophobicContact CG-CG 4.18Å; K209-G291 WeakPolarHBondContact O-CA 3.37Å |
| 210 | T | 98.5 | Very high | 98.1 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -70 | 153.8 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | G212 G262 N263 I264 R266 P290 | T210-G212 PolarHBondContact O-N 2.95Å; T210-G262 WeakPolarHBondContact OG1-CA 3.49Å; T210-N263 VanDerWaalsContact O-CA 3.29Å; T210-N263 WeakPolarHBondContact O-CA 3.47Å; T210-N263 PolarHBondContact O-N 2.87Å; T210-N263 PolarHBondContact OG1-N 3.06Å; T210-I264 PolarHBondContact N-O 2.87Å; T210-I264 PolarHBondContact OG1-O 2.85Å; T210-R266 HydrophobicContact CG2-CB 3.73Å; T210-R266 HydrophobicContact CG2-CG 3.6Å; T210-P290 HydrophobicContact CG2-CB 4.15Å |
| 211 | I | 98.5 | Very high | 98.2 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 52% | 0.518 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 123 | 174.6 | -57.9 | 176.7 | 0 | 0 | 0 | 110.1 | H292 | I211-H292 HydrophobicContact CD1-CB 4.45Å; I211-H292 HydrophobicContact CG1-CB 4.16Å |
| 212 | G | 98.1 | Very high | 98.2 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 46% | 0.464 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 127.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T210 | T210-G212 PolarHBondContact O-N 2.95Š|
| 213 | K | 98.1 | Very high | 98.3 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | trans | -105.4 | 9.4 | 175.3 | -60.9 | -175.4 | -177 | 177.9 | 0 | 112.2 | Q216 M261 | K213-Q216 HydrophobicContact CB-CG 3.89Å; K213-Q216 WeakPolarHBondContact O-CG 3.48Å; K213-Q216 PolarHBondContact O-NE2 3.37Å; K213-M261 HydrophobicContact CB-CB 4.46Å; K213-M261 HydrophobicContact CD-CE 4.47Å; K213-M261 HydrophobicContact CD-SD 3.91Å; K213-M261 PolarHBondContact N-O 3.16Å | ||
| 214 | G | 98.1 | Very high | 98.3 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | trans | 66.8 | -154.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K260 M261 | G214-K260 WeakPolarHBondContact O-CA 3.26Å; G214-M261 PolarHBondContact O-N 2.79Å | ||
| 215 | F | 98.4 | Very high | 98.3 | Very high | 146 Ų | 146 | 64.1 Ų | 64.1 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.4 | 173 | -169.1 | -82.2 | 0 | 0 | 0 | 109.7 | P258 | F215-P258 HydrophobicContact CE1-CB 3.81Å; F215-P258 HydrophobicContact CZ-CB 3.79Å |
| 216 | Q | 98.6 | Very high | 98.2 | Very high | 42 Ų | 42 | 65.3 Ų | 65.3 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.8 | -176.9 | -70.3 | -61.1 | -40 | 0 | 0 | 111.5 | K213 K220 R221 P258 G259 M261 | K213-Q216 HydrophobicContact CB-CG 3.89Å; K213-Q216 WeakPolarHBondContact O-CG 3.48Å; K213-Q216 PolarHBondContact O-NE2 3.37Å; Q216-K220 HydrophobicContact CG-CD 4.38Å; Q216-R221 HydrophobicContact CB-CB 4.33Å; Q216-P258 WeakPolarHBondContact O-CA 3.47Å; Q216-G259 PolarHBondContact N-O 2.92Å; Q216-G259 PolarHBondContact O-N 2.93Å; Q216-M261 HydrophobicContact CB-CB 4.02Å; Q216-M261 HydrophobicContact CB-SD 4.4Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.29Å |
| 217 | G | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | trans | -71.1 | 168.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M219 K220 R221 | G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.24Å; G217-K220 PolarHBondContact O-N 3.38Å; G217-R221 VanDerWaalsContact O-CB 3.31Å; G217-R221 WeakPolarHBondContact O-CB 3.29Å; G217-R221 PolarHBondContact O-N 3.24Å | ||
| 218 | V | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.1 | -34 | -173.8 | -66.4 | 0 | 0 | 0 | 0 | 114.6 | W222 G223 F224 P240 P258 | V218-W222 WeakPolarHBondContact O-CA 3.24Å; V218-W222 WeakPolarHBondContact O-CB 3.31Å; V218-W222 PolarHBondContact O-N 3.41Å; V218-G223 PolarHBondContact O-N 2.93Å; V218-F224 HydrophobicContact CB-CB 4.34Å; V218-F224 HydrophobicContact CB-CD2 3.96Å; V218-F224 HydrophobicContact CB-CE2 4.47Å; V218-F224 HydrophobicContact CB-CG 4.11Å; V218-F224 HydrophobicContact CG2-CB 4.19Å; V218-F224 HydrophobicContact CG2-CD2 3.98Å; V218-F224 HydrophobicContact CG2-CG 4.3Å; V218-P240 HydrophobicContact CG1-CB 3.97Å; V218-P240 HydrophobicContact CG2-CB 4.22Å; V218-P258 HydrophobicContact CG1-CG 3.75Å |
| 219 | M | 98.1 | Very high | 98 | Very high | 45 Ų | 45 | 74.2 Ų | 74.2 | 22% | 0.222 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 179.6 | -61.4 | -172.7 | 72 | 0 | 0 | 111.6 | G217 G223 F224 K225 R238 | G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.24Å; M219-G223 WeakPolarHBondContact O-CA 3.36Å; M219-G223 PolarHBondContact O-N 3.33Å; M219-F224 WeakPolarHBondContact CG-O 3.32Å; M219-K225 VanDerWaalsContact CE-O 3.22Å; M219-K225 WeakPolarHBondContact CE-O 3.36Å; M219-R238 HydrophobicContact SD-CB 3.8Å; M219-R238 HydrophobicContact SD-CG 3.74Å; M219-R238 PolarHBondContact SD-NH1 2.81Å |
| 220 | K | 98 | Very high | 97.8 | Very high | 116 Ų | 116 | 73.9 Ų | 73.9 | 50% | 0.504 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.7 | -36.8 | -179.2 | -161.1 | 178.4 | -154.6 | 169.1 | 0 | 112.5 | Q216 G217 M261 | Q216-K220 HydrophobicContact CG-CD 4.38Å; G217-K220 PolarHBondContact O-N 3.38Å; K220-M261 WeakPolarHBondContact O-CE 3.32Å |
| 221 | R | 97.9 | Very high | 97.7 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 29% | 0.287 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75 | -39.7 | -176.2 | -171 | 177 | -173.4 | -158.9 | 6.5 | 112.7 | Q216 G217 M257 P258 G259 K260 M261 | Q216-R221 HydrophobicContact CB-CB 4.33Å; G217-R221 VanDerWaalsContact O-CB 3.31Å; G217-R221 WeakPolarHBondContact O-CB 3.29Å; G217-R221 PolarHBondContact O-N 3.24Å; R221-M257 PolarHBondContact NH1-O 2.81Å; R221-P258 VanDerWaalsContact NH1-C 3.33Å; R221-P258 PolarHBondContact NH1-O 3.4Å; R221-G259 VanDerWaalsContact NH1-CA 3.3Å; R221-K260 PolarHBondContact NE-O 2.98Å; R221-K260 PolarHBondContact NH2-O 3.21Å; R221-K260 VanDerWaalsContact NH2-O 3.16Å; R221-M261 HydrophobicContact CB-SD 4.4Å; R221-M261 HydrophobicContact CG-CB 4.26Å; R221-M261 HydrophobicContact CG-CG 4.32Å |
| 222 | W | 98.2 | Very high | 97.5 | Very high | 101 Ų | 101 | 79.9 Ų | 79.9 | 38% | 0.383 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -124.7 | -3.1 | -170.2 | -57.5 | 117.7 | 0 | 0 | 0 | 114.4 | V218 F224 K256 M257 | V218-W222 WeakPolarHBondContact O-CA 3.24Å; V218-W222 WeakPolarHBondContact O-CB 3.31Å; V218-W222 PolarHBondContact O-N 3.41Å; W222-F224 HydrophobicContact CB-CD1 3.75Å; W222-F224 HydrophobicContact CB-CE1 3.8Å; W222-K256 HydrophobicContact CB-CB 4.5Å; W222-K256 HydrophobicContact CB-CD 4.25Å; W222-K256 HydrophobicContact CD2-CB 3.86Å; W222-K256 HydrophobicContact CD2-CD 4.02Å; W222-K256 HydrophobicContact CD2-CG 3.78Å; W222-K256 HydrophobicContact CE3-CB 4.5Å; W222-K256 HydrophobicContact CE3-CD 3.95Å; W222-K256 HydrophobicContact CE3-CG 3.91Å; W222-K256 HydrophobicContact CG-CB 3.84Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.17Å; W222-K256 HydrophobicContact CH2-CG 4.48Å; W222-K256 HydrophobicContact CZ2-CB 4.49Å; W222-K256 HydrophobicContact CZ2-CG 4.37Å; W222-K256 HydrophobicContact CZ3-CG 4.26Å; W222-M257 PolarHBondContact NE1-O 3.32Å |
| 223 | G | 98 | Very high | 97.5 | Very high | 62 Ų | 62 | 81 Ų | 81 | 64% | 0.639 | 45% | 0.453 | S | S | * | . | trans | 74.2 | 24.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V218 M219 | V218-G223 PolarHBondContact O-N 2.93Å; M219-G223 WeakPolarHBondContact O-CA 3.36Å; M219-G223 PolarHBondContact O-N 3.33Å | ||
| 224 | F | 98.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 81.1 Ų | 81.1 | 30% | 0.298 | 46% | 0.463 | S | S | . | . | trans | -63.5 | 139.7 | 176.1 | -79.5 | 27.5 | 0 | 0 | 0 | 110.3 | V218 M219 W222 G226 P240 K256 | V218-F224 HydrophobicContact CB-CB 4.34Å; V218-F224 HydrophobicContact CB-CD2 3.96Å; V218-F224 HydrophobicContact CB-CE2 4.47Å; V218-F224 HydrophobicContact CB-CG 4.11Å; V218-F224 HydrophobicContact CG2-CB 4.19Å; V218-F224 HydrophobicContact CG2-CD2 3.98Å; V218-F224 HydrophobicContact CG2-CG 4.3Å; M219-F224 WeakPolarHBondContact CG-O 3.32Å; W222-F224 HydrophobicContact CB-CD1 3.75Å; W222-F224 HydrophobicContact CB-CE1 3.8Å; F224-G226 VanDerWaalsContact C-N 3.27Å; F224-G226 PolarHBondContact O-N 2.95Å; F224-P240 HydrophobicContact CE2-CB 4.37Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.03Å; F224-K256 HydrophobicContact CZ-CB 4.01Å | ||
| 225 | K | 97.8 | Very high | 97.2 | Very high | 208 Ų | 208 | 87.8 Ų | 87.8 | 90% | 0.904 | 48% | 0.479 | S | S | * | . | trans | -65.6 | -26.9 | -179.2 | -67.4 | -173.3 | 178.5 | -177.1 | 0 | 113.6 | M219 | M219-K225 VanDerWaalsContact CE-O 3.22Å; M219-K225 WeakPolarHBondContact CE-O 3.36Å | ||
| 226 | G | 96.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 82.2 Ų | 82.2 | 26% | 0.258 | 46% | 0.457 | S | S | . | . | trans | 78.4 | -155.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F224 | F224-G226 VanDerWaalsContact C-N 3.27Å; F224-G226 PolarHBondContact O-N 2.95Å | ||
| 227 | Q | 97.2 | Very high | 97.1 | Very high | 52 Ų | 52 | 84 Ų | 84 | 24% | 0.243 | 47% | 0.466 | C | S | . | . | trans | -120.5 | 155.9 | -178.3 | -72.1 | 73.1 | 20.7 | 0 | 0 | 109.3 | Q233 T236 H237 R239 | Q227-Q233 HydrophobicContact CB-CG 4.14Å; Q227-T236 VanDerWaalsContact CD-O 3.29Å; Q227-T236 PolarHBondContact OE1-O 3.47Å; Q227-H237 PolarHBondContact N-O 2.59Å; Q227-H237 PolarHBondContact OE1-O 2.98Å; Q227-R239 PolarHBondContact NE2-O 2.89Å; Q227-R239 VanDerWaalsContact NE2-O 3.15Å; Q227-R239 PolarHBondContact OE1-O 2.75Å; Q227-R239 VanDerWaalsContact OE1-O 3.12Å | ||
| 228 | P | 97.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 90.1 Ų | 90.1 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | trans | -57.3 | 154.2 | 178.6 | 24.1 | -34.5 | 0 | 0 | 0 | 112 | H237 | P228-H237 PolarHBondContact O-ND1 3.42Å; P228-H237 VanDerWaalsContact O-ND1 3.1Å | ||
| 229 | A | 97 | Very high | 97 | Very high | 81 Ų | 81 | 97.5 Ų | 97.5 | 67% | 0.669 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -78.4 | -39.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H237 | A229-H237 PolarHBondContact O-CE1 3.41Š|
| 230 | T | 95.4 | Very high | 97 | Very high | 90 Ų | 90 | 97.4 Ų | 97.4 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -108.8 | -166.3 | -174.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 231 | H | 95.3 | Very high | 96.9 | Very high | 185 Ų | 185 | 94 Ų | 94 | 86% | 0.856 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 49.5 | 179 | -59.4 | -77.3 | 0 | 0 | 0 | 114.2 | Q233 | H231-Q233 VanDerWaalsContact C-N 3.31Å; H231-Q233 PolarHBondContact O-N 3.39Å |
| 232 | G | 95.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 95.2 Ų | 95.2 | 75% | 0.753 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 2.4 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | T234 | G232-T234 PolarHBondContact O-N 3.11Å; G232-T234 PolarHBondContact O-OG1 3.04Å |
| 233 | Q | 96.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 94.2 Ų | 94.2 | 32% | 0.318 | 53% | 0.533 | S | S | . | . | trans | -67.2 | 117.7 | -179.9 | -168.5 | 61.8 | -83.8 | 0 | 0 | 111.7 | Q227 H231 T236 H237 | Q227-Q233 HydrophobicContact CB-CG 4.14Å; H231-Q233 VanDerWaalsContact C-N 3.31Å; H231-Q233 PolarHBondContact O-N 3.39Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.38Å; Q233-T236 PolarHBondContact OE1-OG1 3.16Å; Q233-H237 PolarHBondContact O-CE1 3.04Å | ||
| 234 | T | 95.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 93.3 Ų | 93.3 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | trans | -111.3 | 115.2 | -173.8 | -60 | 0 | 0 | 0 | 0 | 111.2 | G232 T236 | G232-T234 PolarHBondContact O-N 3.11Å; G232-T234 PolarHBondContact O-OG1 3.04Å; T234-T236 VanDerWaalsContact O-CG2 3.31Å; T234-T236 WeakPolarHBondContact O-CG2 3.39Å; T234-T236 PolarHBondContact O-N 3.22Å; T234-T236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | K | 95.9 | Very high | 96.6 | Very high | 185 Ų | 185 | 94.1 Ų | 94.1 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 57.9 | 21.7 | 172.3 | -62.1 | 177 | 178.7 | 175.8 | 0 | 116 | ||
| 236 | T | 96.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 87.9 Ų | 87.9 | 17% | 0.172 | 52% | 0.522 | C | S | . | . | trans | -122.9 | 2.1 | -172.7 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | Q227 Q233 T234 R238 R239 | Q227-T236 VanDerWaalsContact CD-O 3.29Å; Q227-T236 PolarHBondContact OE1-O 3.47Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.38Å; Q233-T236 PolarHBondContact OE1-OG1 3.16Å; T234-T236 VanDerWaalsContact O-CG2 3.31Å; T234-T236 WeakPolarHBondContact O-CG2 3.39Å; T234-T236 PolarHBondContact O-N 3.22Å; T234-T236 VanDerWaalsContact O-N 3.11Å; T236-R238 PolarHBondContact O-N 2.78Å; T236-R239 PolarHBondContact O-N 2.79Å; T236-R239 VanDerWaalsContact O-N 3.1Å | ||
| 237 | H | 97.1 | Very high | 96.5 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 38% | 0.375 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.8 | -28.7 | -171.9 | -48.2 | -65 | 0 | 0 | 0 | 116.8 | Q227 P228 A229 Q233 | Q227-H237 PolarHBondContact N-O 2.59Å; Q227-H237 PolarHBondContact OE1-O 2.98Å; P228-H237 PolarHBondContact O-ND1 3.42Å; P228-H237 VanDerWaalsContact O-ND1 3.1Å; A229-H237 PolarHBondContact O-CE1 3.41Å; Q233-H237 PolarHBondContact O-CE1 3.04Å |
| 238 | R | 97.8 | Very high | 96.4 | Very high | 165 Ų | 165 | 94.6 Ų | 94.6 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 16.3 | -174 | -52.1 | -172.7 | 66.6 | 77.3 | -1 | 114.1 | M219 T236 | M219-R238 HydrophobicContact SD-CB 3.8Å; M219-R238 HydrophobicContact SD-CG 3.74Å; M219-R238 PolarHBondContact SD-NH1 2.81Å; T236-R238 PolarHBondContact O-N 2.78Å |
| 239 | R | 97.1 | Very high | 96.3 | Very high | 155 Ų | 155 | 94.2 Ų | 94.2 | 59% | 0.585 | 56% | 0.564 | S | S | * | * | trans | -83.1 | 155.8 | -176.1 | -68.4 | -178.6 | 74.9 | 174.9 | 0.4 | 111 | Q227 T236 G241 | Q227-R239 PolarHBondContact NE2-O 2.89Å; Q227-R239 VanDerWaalsContact NE2-O 3.15Å; Q227-R239 PolarHBondContact OE1-O 2.75Å; Q227-R239 VanDerWaalsContact OE1-O 3.12Å; T236-R239 PolarHBondContact O-N 2.79Å; T236-R239 VanDerWaalsContact O-N 3.1Å; R239-G241 PolarHBondContact O-N 3.45Å | ||
| 240 | P | 97.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 96 Ų | 96 | 28% | 0.279 | 55% | 0.554 | S | S | . | * | trans | -65.7 | -19.2 | 177.7 | 25.2 | -33.9 | 0 | 0 | 0 | 114.7 | V218 F224 I243 | V218-P240 HydrophobicContact CG1-CB 3.97Å; V218-P240 HydrophobicContact CG2-CB 4.22Å; F224-P240 HydrophobicContact CE2-CB 4.37Å; P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.36Å | ||
| 241 | G | 96.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 94.5 Ų | 94.5 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | trans | 75.7 | -149.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R239 | R239-G241 PolarHBondContact O-N 3.45Š| ||
| 242 | A | 96.4 | Very high | 96.4 | Very high | 100 Ų | 100 | 92.1 Ų | 92.1 | 83% | 0.826 | 53% | 0.528 | S | S | * | . | trans | -65.9 | 140.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 243 | I | 96.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 94.2 Ų | 94.2 | 42% | 0.415 | 53% | 0.528 | S | S | . | . | trans | -112.3 | -15 | -173.2 | 57.8 | 170.5 | 0 | 0 | 0 | 114.1 | P240 V251 M257 | P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.36Å; I243-V251 HydrophobicContact CD1-CG2 3.79Å; I243-V251 HydrophobicContact CG1-CG2 4.37Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.88Å; I243-M257 HydrophobicContact CG2-CE 4.3Å | ||
| 244 | S | 96.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 94.8 Ų | 94.8 | 29% | 0.294 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -164.1 | 179.7 | 178.5 | -158 | 0 | 0 | 0 | 0 | 109.3 | R250 | S244-R250 PolarHBondContact OG-O 3.05Š|
| 245 | T | 96.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 92.3 Ų | 92.3 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | trans | -90 | 153 | 169.5 | 56 | 0 | 0 | 0 | 0 | 110.8 | I248 | T245-I248 WeakPolarHBondContact OG1-CD1 3.28Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.46Å | ||
| 246 | G | 95.9 | Very high | 96.8 | Very high | 77 Ų | 77 | 88.8 Ų | 88.8 | 79% | 0.794 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -69 | -39 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | I248 G249 | G246-I248 VanDerWaalsContact C-N 3.28Å; G246-I248 PolarHBondContact O-N 2.64Å; G246-G249 PolarHBondContact O-N 3.37Å |
| 247 | D | 96.3 | Very high | 96.9 | Very high | 159 Ų | 159 | 90.7 Ų | 90.7 | 85% | 0.85 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.4 | -177.1 | -177 | 36.5 | 0 | 0 | 0 | 113.4 | G249 | D247-G249 VanDerWaalsContact C-N 3.28Å; D247-G249 PolarHBondContact O-N 3.13Å |
| 248 | I | 94.9 | Very high | 96.9 | Very high | 58 Ų | 58 | 89.5 Ų | 89.5 | 30% | 0.297 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -21.1 | -174.5 | -60.9 | 175.5 | 0 | 0 | 0 | 112 | T245 G246 R250 W252 | T245-I248 WeakPolarHBondContact OG1-CD1 3.28Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.46Å; G246-I248 VanDerWaalsContact C-N 3.28Å; G246-I248 PolarHBondContact O-N 2.64Å; I248-R250 HydrophobicContact CG2-CG 3.53Å; I248-R250 PolarHBondContact O-N 2.96Å; I248-W252 HydrophobicContact CD1-CZ2 3.67Å; I248-W252 VanDerWaalsContact CD1-NE1 3.32Å |
| 249 | G | 94.9 | Very high | 97 | Very high | 74 Ų | 74 | 82 Ų | 82 | 76% | 0.763 | 50% | 0.503 | S | S | * | . | trans | 61.9 | 7.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G246 D247 | G246-G249 PolarHBondContact O-N 3.37Å; D247-G249 VanDerWaalsContact C-N 3.28Å; D247-G249 PolarHBondContact O-N 3.13Å | ||
| 250 | R | 95.6 | Very high | 97 | Very high | 118 Ų | 118 | 83 Ų | 83 | 45% | 0.445 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -147.3 | 167.5 | 178.8 | 64.9 | 171.2 | -178.4 | 86.2 | 5 | 112.4 | S244 I248 W252 | S244-R250 PolarHBondContact OG-O 3.05Å; I248-R250 HydrophobicContact CG2-CG 3.53Å; I248-R250 PolarHBondContact O-N 2.96Å; R250-W252 VanDerWaalsContact NH2-CH2 3.33Å |
| 251 | V | 97.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 83.2 Ų | 83.2 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 136.4 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | I243 T255 M257 | I243-V251 HydrophobicContact CD1-CG2 3.79Å; I243-V251 HydrophobicContact CG1-CG2 4.37Å; V251-T255 HydrophobicContact CG1-CG2 3.99Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.43Å; V251-M257 HydrophobicContact CG1-CE 3.7Å; V251-M257 HydrophobicContact CG2-CE 4.26Å |
| 252 | W | 97.6 | Very high | 97.2 | Very high | 135 Ų | 135 | 82 Ų | 82 | 51% | 0.511 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 136.5 | 176.4 | -70.1 | 99 | 0 | 0 | 0 | 111.5 | I248 R250 G254 T255 | I248-W252 HydrophobicContact CD1-CZ2 3.67Å; I248-W252 VanDerWaalsContact CD1-NE1 3.32Å; R250-W252 VanDerWaalsContact NH2-CH2 3.33Å; W252-G254 PolarHBondContact O-N 3.34Å; W252-T255 WeakPolarHBondContact O-CB 3.49Å; W252-T255 PolarHBondContact O-N 2.89Å; W252-T255 VanDerWaalsContact O-N 3.14Å; W252-T255 PolarHBondContact O-OG1 2.65Å |
| 253 | P | 98.1 | Very high | 97.2 | Very high | 116 Ų | 116 | 82.1 Ų | 82.1 | 75% | 0.753 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136.2 | 170.2 | -25.8 | 34.9 | 0 | 0 | 0 | 111.2 | T255 | P253-T255 VanDerWaalsContact C-N 3.35Š|
| 254 | G | 96.9 | Very high | 97.3 | Very high | 81 Ų | 81 | 82.4 Ų | 82.4 | 84% | 0.835 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 3.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | W252 K256 | W252-G254 PolarHBondContact O-N 3.34Å; G254-K256 PolarHBondContact O-N 3.47Å |
| 255 | T | 98 | Very high | 97.4 | Very high | 48 Ų | 48 | 86.2 Ų | 86.2 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | trans | -56.6 | 134.3 | 173.7 | -62 | 0 | 0 | 0 | 0 | 111.5 | V251 W252 P253 M257 | V251-T255 HydrophobicContact CG1-CG2 3.99Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.43Å; W252-T255 WeakPolarHBondContact O-CB 3.49Å; W252-T255 PolarHBondContact O-N 2.89Å; W252-T255 VanDerWaalsContact O-N 3.14Å; W252-T255 PolarHBondContact O-OG1 2.65Å; P253-T255 VanDerWaalsContact C-N 3.35Å; T255-M257 HydrophobicContact CG2-CE 4.37Å; T255-M257 PolarHBondContact O-N 2.87Å; T255-M257 VanDerWaalsContact O-N 3.11Å | ||
| 256 | K | 98.3 | Very high | 97.5 | Very high | 111 Ų | 111 | 89.5 Ų | 89.5 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | trans | -70.6 | 104.1 | -175.5 | -68.3 | 178.2 | -177.8 | 174.1 | 0 | 111.5 | W222 F224 G254 | W222-K256 HydrophobicContact CB-CB 4.5Å; W222-K256 HydrophobicContact CB-CD 4.25Å; W222-K256 HydrophobicContact CD2-CB 3.86Å; W222-K256 HydrophobicContact CD2-CD 4.02Å; W222-K256 HydrophobicContact CD2-CG 3.78Å; W222-K256 HydrophobicContact CE3-CB 4.5Å; W222-K256 HydrophobicContact CE3-CD 3.95Å; W222-K256 HydrophobicContact CE3-CG 3.91Å; W222-K256 HydrophobicContact CG-CB 3.84Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.17Å; W222-K256 HydrophobicContact CH2-CG 4.48Å; W222-K256 HydrophobicContact CZ2-CB 4.49Å; W222-K256 HydrophobicContact CZ2-CG 4.37Å; W222-K256 HydrophobicContact CZ3-CG 4.26Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.03Å; F224-K256 HydrophobicContact CZ-CB 4.01Å; G254-K256 PolarHBondContact O-N 3.47Å | ||
| 257 | M | 98.3 | Very high | 97.6 | Very high | 69 Ų | 69 | 88 Ų | 88 | 34% | 0.34 | 47% | 0.473 | S | S | . | . | trans | -123 | 165.3 | 179.9 | -71.5 | -174.1 | 170.8 | 0 | 0 | 112.8 | R221 W222 I243 V251 T255 | R221-M257 PolarHBondContact NH1-O 2.81Å; W222-M257 PolarHBondContact NE1-O 3.32Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.88Å; I243-M257 HydrophobicContact CG2-CE 4.3Å; V251-M257 HydrophobicContact CG1-CE 3.7Å; V251-M257 HydrophobicContact CG2-CE 4.26Å; T255-M257 HydrophobicContact CG2-CE 4.37Å; T255-M257 PolarHBondContact O-N 2.87Å; T255-M257 VanDerWaalsContact O-N 3.11Å | ||
| 258 | P | 98.5 | Very high | 97.7 | Very high | 55 Ų | 55 | 81.6 Ų | 81.6 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -54.1 | 152.9 | 170.8 | -24 | 34.6 | 0 | 0 | 0 | 112.3 | F215 Q216 V218 R221 | F215-P258 HydrophobicContact CE1-CB 3.81Å; F215-P258 HydrophobicContact CZ-CB 3.79Å; Q216-P258 WeakPolarHBondContact O-CA 3.47Å; V218-P258 HydrophobicContact CG1-CG 3.75Å; R221-P258 VanDerWaalsContact NH1-C 3.33Å; R221-P258 PolarHBondContact NH1-O 3.4Å |
| 259 | G | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 83 Ų | 83 | 8% | 0.082 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163 | -173.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q216 R221 M261 | Q216-G259 PolarHBondContact N-O 2.92Å; Q216-G259 PolarHBondContact O-N 2.93Å; R221-G259 VanDerWaalsContact NH1-CA 3.3Å; G259-M261 PolarHBondContact O-N 2.97Å |
| 260 | K | 98.6 | Very high | 98 | Very high | 175 Ų | 175 | 80.5 Ų | 80.5 | 76% | 0.761 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 128.6 | 179.3 | -68.7 | -179.4 | 179.8 | 176.1 | 0 | 110.8 | G214 R221 | G214-K260 WeakPolarHBondContact O-CA 3.26Å; R221-K260 PolarHBondContact NE-O 2.98Å; R221-K260 PolarHBondContact NH2-O 3.21Å; R221-K260 VanDerWaalsContact NH2-O 3.16Å |
| 261 | M | 98.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 75.8 Ų | 75.8 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | trans | -120.5 | 134.4 | 178.3 | -174.2 | -170.5 | -174.2 | 0 | 0 | 110.6 | K213 G214 Q216 K220 R221 G259 | K213-M261 HydrophobicContact CB-CB 4.46Å; K213-M261 HydrophobicContact CD-CE 4.47Å; K213-M261 HydrophobicContact CD-SD 3.91Å; K213-M261 PolarHBondContact N-O 3.16Å; G214-M261 PolarHBondContact O-N 2.79Å; Q216-M261 HydrophobicContact CB-CB 4.02Å; Q216-M261 HydrophobicContact CB-SD 4.4Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.29Å; K220-M261 WeakPolarHBondContact O-CE 3.32Å; R221-M261 HydrophobicContact CB-SD 4.4Å; R221-M261 HydrophobicContact CG-CB 4.26Å; R221-M261 HydrophobicContact CG-CG 4.32Å; G259-M261 PolarHBondContact O-N 2.97Å | ||
| 262 | G | 97.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 77.7 | -163 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T210 I264 | T210-G262 WeakPolarHBondContact OG1-CA 3.49Å; G262-I264 PolarHBondContact O-N 2.81Å; G262-I264 VanDerWaalsContact O-N 3.16Å |
| 263 | N | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 68 Ų | 68 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | trans | 53.5 | 27.2 | -172.4 | -163.7 | 22.8 | 0 | 0 | 0 | 114.5 | T210 | T210-N263 VanDerWaalsContact O-CA 3.29Å; T210-N263 WeakPolarHBondContact O-CA 3.47Å; T210-N263 PolarHBondContact O-N 2.87Å; T210-N263 PolarHBondContact OG1-N 3.06Å | ||
| 264 | I | 98.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 45% | 0.446 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -117.2 | 155.5 | 175.9 | 57 | 170.5 | 0 | 0 | 0 | 109.2 | K209 T210 G262 | K209-I264 WeakPolarHBondContact CA-O 3.32Å; T210-I264 PolarHBondContact N-O 2.87Å; T210-I264 PolarHBondContact OG1-O 2.85Å; G262-I264 PolarHBondContact O-N 2.81Å; G262-I264 VanDerWaalsContact O-N 3.16Å |
| 265 | Y | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 48% | 0.478 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.9 | 175.3 | -69.8 | -80.8 | 0 | 0 | 0 | 110.6 | K177 T207 A208 K209 | K177-Y265 PolarHBondContact NZ-OH 3.21Å; T207-Y265 HydrophobicContact CG2-CD1 4.37Å; A208-Y265 WeakPolarHBondContact O-CA 3.37Å; K209-Y265 HydrophobicContact CD-CE1 4.47Å; K209-Y265 HydrophobicContact CD-CE2 4.47Å; K209-Y265 HydrophobicContact CG-CD1 3.82Å; K209-Y265 HydrophobicContact CG-CD2 4.28Å; K209-Y265 HydrophobicContact CG-CE1 3.56Å; K209-Y265 HydrophobicContact CG-CE2 4.06Å; K209-Y265 HydrophobicContact CG-CG 4.18Å |
| 266 | R | 98.5 | Very high | 98.3 | Very high | 155 Ų | 155 | 58.9 Ų | 58.9 | 59% | 0.585 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151 | 169.8 | -72.8 | -66.4 | -176.1 | 172.4 | -2.3 | 109.4 | T207 A208 T210 | T207-R266 WeakPolarHBondContact CA-O 3.47Å; A208-R266 PolarHBondContact N-O 2.78Å; A208-R266 PolarHBondContact O-N 2.91Å; T210-R266 HydrophobicContact CG2-CB 3.73Å; T210-R266 HydrophobicContact CG2-CG 3.6Å |
| 267 | T | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 54 Ų | 54 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.4 | 178.9 | -51.9 | 0 | 0 | 0 | 0 | 108.5 | D205 V206 T207 F269 | D205-T267 HydrophobicContact CB-CG2 4.1Å; V206-T267 CarbonylContact O-C 3.51Å; V206-T267 VanDerWaalsContact O-CA 3.29Å; V206-T267 WeakPolarHBondContact O-CA 3.12Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.21Å; T207-T267 VanDerWaalsContact OG1-CG2 3.31Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.16Å; T207-T267 PolarHBondContact OG1-OG1 2.82Å; T267-F269 HydrophobicContact CG2-CD1 4Å; T267-F269 HydrophobicContact CG2-CD2 4.4Å; T267-F269 HydrophobicContact CG2-CE1 3.48Å; T267-F269 VanDerWaalsContact CG2-CE1 3.48Å; T267-F269 HydrophobicContact CG2-CE2 3.99Å; T267-F269 HydrophobicContact CG2-CG 4.41Å; T267-F269 HydrophobicContact CG2-CZ 3.5Å; T267-F269 VanDerWaalsContact CG2-CZ 3.5Å |
| 268 | A | 98.4 | Very high | 98.2 | Very high | 24 Ų | 24 | 52 Ų | 52 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.5 | 165 | 0 | 0 | 0 | 0 | 0 | 107.7 | D205 V206 L271 | D205-A268 WeakPolarHBondContact CA-O 3.46Å; V206-A268 PolarHBondContact N-O 2.96Å; V206-A268 PolarHBondContact O-N 2.92Å; A268-L271 HydrophobicContact CB-CD1 3.85Å; A268-L271 HydrophobicContact CB-CD2 4.38Å; A268-L271 HydrophobicContact CB-CG 4.27Å |
| 269 | F | 98.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 56 Ų | 56 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 149.7 | -175.5 | -62 | -82.2 | 0 | 0 | 0 | 110.3 | D205 T267 K303 L304 | D205-F269 HydrophobicContact CB-CD1 4.21Å; D205-F269 WeakPolarHBondContact OD1-CA 3.46Å; D205-F269 WeakPolarHBondContact OD1-CD1 3.38Å; D205-F269 VanDerWaalsContact OD2-CD1 3.24Å; D205-F269 WeakPolarHBondContact OD2-CD1 3.41Å; T267-F269 HydrophobicContact CG2-CD1 4Å; T267-F269 HydrophobicContact CG2-CD2 4.4Å; T267-F269 HydrophobicContact CG2-CE1 3.48Å; T267-F269 VanDerWaalsContact CG2-CE1 3.48Å; T267-F269 HydrophobicContact CG2-CE2 3.99Å; T267-F269 HydrophobicContact CG2-CG 4.41Å; T267-F269 HydrophobicContact CG2-CZ 3.5Å; T267-F269 VanDerWaalsContact CG2-CZ 3.5Å; F269-K303 HydrophobicContact CD1-CD 4.46Å; F269-K303 HydrophobicContact CD1-CG 4.2Å; F269-K303 HydrophobicContact CE1-CD 3.89Å; F269-K303 HydrophobicContact CE1-CG 4.13Å; F269-L304 HydrophobicContact CB-CD1 4.15Å; F269-L304 HydrophobicContact CB-CD2 4.39Å; F269-L304 HydrophobicContact CB-CG 4.32Å |
| 270 | G | 97.3 | Very high | 98 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.9 | 40.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y203 D205 | Y203-G270 WeakPolarHBondContact CD1-O 3.36Å; D205-G270 PolarHBondContact OD1-N 3.03Å |
| 271 | L | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 117.4 | 174.5 | -53.7 | -179.6 | 0 | 0 | 0 | 109.7 | Y203 V204 V206 A268 V285 V289 | Y203-L271 WeakPolarHBondContact CA-O 3.45Å; V204-L271 HydrophobicContact CG2-CB 4.44Å; V204-L271 WeakPolarHBondContact CG2-O 3.24Å; V204-L271 PolarHBondContact N-O 2.94Å; V204-L271 PolarHBondContact O-N 2.76Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4Å; A268-L271 HydrophobicContact CB-CD1 3.85Å; A268-L271 HydrophobicContact CB-CD2 4.38Å; A268-L271 HydrophobicContact CB-CG 4.27Å; L271-V285 HydrophobicContact CB-CG1 3.38Å; L271-V285 HydrophobicContact CD1-CG1 3.76Å; L271-V285 HydrophobicContact CG-CG1 4.21Å; L271-V289 HydrophobicContact CD1-CG2 4.12Å |
| 272 | K | 98.2 | Very high | 98 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.4 | 177.5 | -169.6 | 178.3 | 178.1 | -171.1 | 0 | 111.3 | Q202 Y203 W274 N286 D334 | Q202-K272 CarbonylContact O-C 3.49Å; Q202-K272 WeakPolarHBondContact O-CA 3.43Å; Y203-K272 HydrophobicContact CD1-CB 4.15Å; Y203-K272 HydrophobicContact CE1-CB 3.85Å; Y203-K272 HydrophobicContact CE1-CG 4.45Å; K272-W274 HydrophobicContact CD-CD2 4.5Å; K272-W274 HydrophobicContact CD-CE3 4.41Å; K272-W274 HydrophobicContact CD-CH2 4.17Å; K272-W274 HydrophobicContact CD-CZ2 4.23Å; K272-W274 HydrophobicContact CD-CZ3 4.26Å; K272-N286 HydrophobicContact CB-CB 4.23Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.45Å; K272-N286 PolarHBondContact O-N 2.89Å; K272-D334 WeakPolarHBondContact CE-OD2 3.34Å; K272-D334 IonicContact NZ-OD1 3.69Å; K272-D334 IonicContact NZ-OD2 2.89Å; K272-D334 PolarHBondContact NZ-OD2 3.1Å |
| 273 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.8 | 170.2 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | G201 Q202 V204 I276 I283 V285 | G201-V273 PolarHBondContact N-O 3.22Å; Q202-V273 HydrophobicContact CG-CB 4.26Å; Q202-V273 HydrophobicContact CG-CG2 3.97Å; Q202-V273 PolarHBondContact O-N 3.3Å; V204-V273 HydrophobicContact CG1-CG2 3.89Å; V204-V273 HydrophobicContact CG2-CG2 3.92Å; V273-I276 HydrophobicContact CG1-CD1 4.02Å; V273-I276 HydrophobicContact CG1-CG1 3.78Å; V273-I283 HydrophobicContact CG1-CG2 3.77Å; V273-I283 HydrophobicContact CG2-CG2 4.24Å; V273-V285 HydrophobicContact CG2-CG2 4.5Å |
| 274 | W | 98.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -36.4 | -175.6 | -73.8 | 114.2 | 0 | 0 | 0 | 113.8 | L109 T111 H117 V119 K272 Y284 N286 D334 N336 V337 | L109-W274 HydrophobicContact CD1-CB 3.94Å; L109-W274 HydrophobicContact CD1-CG 4.47Å; L109-W274 HydrophobicContact CD2-CD2 4.49Å; L109-W274 HydrophobicContact CD2-CG 4.49Å; T111-W274 HydrophobicContact CG2-CH2 3.95Å; T111-W274 HydrophobicContact CG2-CZ3 4.19Å; H117-W274 AromaticContact CD2-CZ2 3.95Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.25Å; K272-W274 HydrophobicContact CD-CD2 4.5Å; K272-W274 HydrophobicContact CD-CE3 4.41Å; K272-W274 HydrophobicContact CD-CH2 4.17Å; K272-W274 HydrophobicContact CD-CZ2 4.23Å; K272-W274 HydrophobicContact CD-CZ3 4.26Å; W274-Y284 PolarHBondContact N-O 2.77Å; W274-N286 PolarHBondContact NE1-OD1 3.19Å; W274-D334 HydrophobicContact CE3-CB 4.14Å; W274-D334 VanDerWaalsContact CZ3-OD2 3.24Å; W274-D334 WeakPolarHBondContact CZ3-OD2 3.34Å; W274-D334 VanDerWaalsContact O-CB 3.31Å; W274-D334 WeakPolarHBondContact O-CB 3.44Å; W274-D334 PolarHBondContact O-N 3.15Å; W274-N336 HydrophobicContact CZ3-CB 4.38Å; W274-V337 HydrophobicContact CB-CG2 4.33Å; W274-V337 HydrophobicContact CD2-CG2 4.32Å; W274-V337 HydrophobicContact CE3-CG2 3.51Å; W274-V337 HydrophobicContact CZ3-CG2 4.14Å |
| 275 | R | 98.1 | Very high | 98.1 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 151.6 | -176.8 | 174.3 | -174.4 | 171.8 | 176.7 | -5.7 | 109.6 | Y284 D331 L332 Y333 | R275-Y284 HydrophobicContact CB-CD2 3.8Å; R275-Y284 HydrophobicContact CB-CG 3.96Å; R275-Y284 HydrophobicContact CG-CD2 3.77Å; R275-Y284 HydrophobicContact CG-CE2 4.02Å; R275-Y284 HydrophobicContact CG-CG 4.34Å; R275-Y284 WeakPolarHBondContact O-CB 3.4Å; R275-Y284 VanDerWaalsContact O-CD2 3.32Å; R275-Y284 WeakPolarHBondContact O-CD2 3.43Å; R275-Y284 PolarHBondContact O-N 3.42Å; R275-D331 IonicContact CZ-OD1 2.94Å; R275-D331 VanDerWaalsContact CZ-OD1 3.27Å; R275-D331 IonicContact CZ-OD2 3.69Å; R275-D331 VanDerWaalsContact NE-CG 3.32Å; R275-D331 IonicContact NE-OD1 2.76Å; R275-D331 PolarHBondContact NE-OD1 3.09Å; R275-D331 IonicContact NE-OD2 3.18Å; R275-D331 IonicContact NH2-OD1 2.87Å; R275-D331 PolarHBondContact NH2-OD1 3.31Å; R275-D331 IonicContact NH2-OD2 2.65Å; R275-D331 PolarHBondContact NH2-OD2 3.28Å; R275-L332 CarbonylContact C-O 3.57Å; R275-L332 WeakPolarHBondContact CA-O 3.37Å; R275-Y333 HydrophobicContact CB-CD1 4.4Å; R275-Y333 VanDerWaalsContact CD-CE1 3.49Å; R275-Y333 HydrophobicContact CG-CD1 4.11Å; R275-Y333 HydrophobicContact CG-CE1 4.06Å; R275-Y333 PolarHBondContact NH1-OH 3.34Å; R275-Y333 PolarHBondContact NH2-OH 3.27Å |
| 276 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.7 | 171 | -58.3 | -178.8 | 0 | 0 | 0 | 108.5 | A195 F198 P200 V273 I282 D331 L332 | A195-I276 HydrophobicContact CB-CG2 4.15Å; F198-I276 HydrophobicContact CB-CD1 3.88Å; F198-I276 WeakPolarHBondContact O-CD1 3.38Å; P200-I276 HydrophobicContact CG-CG1 4.45Å; V273-I276 HydrophobicContact CG1-CD1 4.02Å; V273-I276 HydrophobicContact CG1-CG1 3.78Å; I276-I282 WeakPolarHBondContact CA-O 3.32Å; I276-D331 CarbonylContact O-C 3.55Å; I276-D331 WeakPolarHBondContact O-CA 3.46Å; I276-L332 HydrophobicContact CB-CB 4.48Å; I276-L332 PolarHBondContact N-O 3.35Å; I276-L332 PolarHBondContact O-N 2.74Å |
| 277 | N | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.3 | 173 | -176.4 | -79.4 | 0 | 0 | 0 | 109.1 | K279 H280 N281 I282 Y284 E330 D331 | N277-K279 PolarHBondContact OD1-N 3.27Å; N277-H280 WeakPolarHBondContact OD1-CB 3.31Å; N277-H280 PolarHBondContact OD1-N 3.11Å; N277-N281 CarbonylContact O-C 3.6Å; N277-N281 VanDerWaalsContact O-CA 3.29Å; N277-N281 WeakPolarHBondContact O-CA 3.19Å; N277-N281 PolarHBondContact O-N 3.3Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 3.26Å; N277-I282 PolarHBondContact O-N 2.83Å; N277-Y284 HydrophobicContact CB-CE2 4.17Å; N277-E330 WeakPolarHBondContact CA-O 3.38Å; N277-D331 VanDerWaalsContact CB-OD1 3.31Å; N277-D331 WeakPolarHBondContact CB-OD1 3.41Å; N277-D331 PolarHBondContact ND2-OD1 3Å |
| 278 | T | 96.6 | Very high | 98 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 17% | 0.172 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -44.8 | -174.6 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | H280 N281 L328 P329 E330 | T278-H280 PolarHBondContact O-N 3.43Å; T278-N281 PolarHBondContact O-N 3.35Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.35Å; T278-P329 WeakPolarHBondContact CG2-O 3.31Å; T278-P329 PolarHBondContact OG1-O 3.32Å; T278-E330 PolarHBondContact N-O 3.2Å; T278-E330 WeakPolarHBondContact OG1-CA 3.11Å; T278-E330 PolarHBondContact OG1-O 3.42Å |
| 279 | K | 96.1 | Very high | 98 | Very high | 139 Ų | 139 | 33.9 Ų | 33.9 | 60% | 0.604 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -47.3 | -178.3 | -175.3 | -179.4 | -173.7 | 174.3 | 0 | 114.2 | N277 E330 | N277-K279 PolarHBondContact OD1-N 3.27Å; K279-E330 HydrophobicContact CB-CG 4.25Å; K279-E330 HydrophobicContact CD-CG 4.48Å; K279-E330 WeakPolarHBondContact CD-OE1 3.39Å; K279-E330 IonicContact NZ-OE1 3.4Å; K279-E330 PolarHBondContact NZ-OE1 2.99Å |
| 280 | H | 97.3 | Very high | 98 | Very high | 98 Ų | 98 | 30.8 Ų | 30.8 | 45% | 0.454 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 0.4 | -178.8 | -62.9 | -58.7 | 0 | 0 | 0 | 113.3 | N277 T278 I282 | N277-H280 WeakPolarHBondContact OD1-CB 3.31Å; N277-H280 PolarHBondContact OD1-N 3.11Å; T278-H280 PolarHBondContact O-N 3.43Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å |
| 281 | N | 97.9 | Very high | 98 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 51.4 | -176.5 | -71.3 | -69 | 0 | 0 | 0 | 112.8 | Q123 V124 A195 N277 T278 | Q123-N281 CarbonylContact C-O 3.52Å; Q123-N281 WeakPolarHBondContact CA-O 3.08Å; V124-N281 HydrophobicContact CB-CB 4.19Å; V124-N281 PolarHBondContact N-O 3.22Å; A195-N281 VanDerWaalsContact CB-C 3.46Å; A195-N281 HydrophobicContact CB-CB 3.95Å; A195-N281 PolarHBondContact N-OD1 3.29Å; N277-N281 CarbonylContact O-C 3.6Å; N277-N281 VanDerWaalsContact O-CA 3.29Å; N277-N281 WeakPolarHBondContact O-CA 3.19Å; N277-N281 PolarHBondContact O-N 3.3Å; T278-N281 PolarHBondContact O-N 3.35Å |
| 282 | I | 98.4 | Very high | 98 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.1 | -177.8 | -57.1 | 175.2 | 0 | 0 | 0 | 110.7 | L104 L121 L122 Q123 I276 N277 H280 Y284 | L104-I282 HydrophobicContact CD1-CD1 4.18Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.29Å; L122-I282 WeakPolarHBondContact O-CA 3.5Å; Q123-I282 HydrophobicContact CB-CG1 4.29Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å; I276-I282 WeakPolarHBondContact CA-O 3.32Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 3.26Å; N277-I282 PolarHBondContact O-N 2.83Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å; I282-Y284 HydrophobicContact CB-CE2 4.12Å; I282-Y284 HydrophobicContact CG2-CD2 4.16Å; I282-Y284 HydrophobicContact CG2-CE2 3.7Å |
| 283 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.6 | 176 | -50.6 | 160.6 | 0 | 0 | 0 | 108.4 | L99 L122 V124 A195 F198 V273 V285 | L99-I283 HydrophobicContact CD1-CD1 4.12Å; L122-I283 HydrophobicContact CB-CB 4.38Å; L122-I283 PolarHBondContact N-O 3.24Å; L122-I283 PolarHBondContact O-N 3Å; V124-I283 HydrophobicContact CG2-CD1 3.83Å; V124-I283 HydrophobicContact CG2-CG1 4.48Å; A195-I283 HydrophobicContact CB-CD1 4.4Å; A195-I283 HydrophobicContact CB-CG1 3.86Å; F198-I283 HydrophobicContact CD2-CD1 3.61Å; F198-I283 HydrophobicContact CE2-CD1 4.19Å; V273-I283 HydrophobicContact CG1-CG2 3.77Å; V273-I283 HydrophobicContact CG2-CG2 4.24Å; I283-V285 HydrophobicContact CG2-CG2 3.78Å |
| 284 | Y | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 99.5 | 179.4 | -62.2 | -106.2 | 0 | 0 | 0 | 109.2 | M107 V119 L121 W274 R275 N277 I282 | M107-Y284 HydrophobicContact SD-CD1 3.89Å; M107-Y284 HydrophobicContact SD-CE1 3.53Å; M107-Y284 VanDerWaalsContact SD-CE1 3.53Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; L121-Y284 HydrophobicContact CD2-CD1 4.27Å; L121-Y284 HydrophobicContact CD2-CE1 3.59Å; L121-Y284 HydrophobicContact CG-CD1 4.06Å; L121-Y284 HydrophobicContact CG-CE1 3.9Å; W274-Y284 PolarHBondContact N-O 2.77Å; R275-Y284 HydrophobicContact CB-CD2 3.8Å; R275-Y284 HydrophobicContact CB-CG 3.96Å; R275-Y284 HydrophobicContact CG-CD2 3.77Å; R275-Y284 HydrophobicContact CG-CE2 4.02Å; R275-Y284 HydrophobicContact CG-CG 4.34Å; R275-Y284 WeakPolarHBondContact O-CB 3.4Å; R275-Y284 VanDerWaalsContact O-CD2 3.32Å; R275-Y284 WeakPolarHBondContact O-CD2 3.43Å; R275-Y284 PolarHBondContact O-N 3.42Å; N277-Y284 HydrophobicContact CB-CE2 4.17Å; I282-Y284 HydrophobicContact CB-CE2 4.12Å; I282-Y284 HydrophobicContact CG2-CD2 4.16Å; I282-Y284 HydrophobicContact CG2-CE2 3.7Å |
| 285 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.6 | -174.8 | 180 | 0 | 0 | 0 | 0 | 110.4 | V119 T120 L122 V204 L271 V273 I283 | V119-V285 CarbonylContact C-O 3.56Å; V119-V285 VanDerWaalsContact CA-O 3.26Å; V119-V285 WeakPolarHBondContact CA-O 3.3Å; V119-V285 WeakPolarHBondContact CB-O 3.48Å; T120-V285 PolarHBondContact N-O 2.9Å; T120-V285 PolarHBondContact O-N 2.77Å; L122-V285 HydrophobicContact CD1-CB 4.42Å; L122-V285 HydrophobicContact CD1-CG2 3.71Å; L122-V285 HydrophobicContact CG-CG2 4.27Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.19Å; L271-V285 HydrophobicContact CB-CG1 3.38Å; L271-V285 HydrophobicContact CD1-CG1 3.76Å; L271-V285 HydrophobicContact CG-CG1 4.21Å; V273-V285 HydrophobicContact CG2-CG2 4.5Å; I283-V285 HydrophobicContact CG2-CG2 3.78Å |
| 286 | N | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 143 | 178.7 | -169 | 36.1 | 0 | 0 | 0 | 112.7 | K272 W274 | K272-N286 HydrophobicContact CB-CB 4.23Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.45Å; K272-N286 PolarHBondContact O-N 2.89Å; W274-N286 PolarHBondContact NE1-OD1 3.19Å |
| 287 | G | 97.5 | Very high | 98 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 70.6 | -153 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V118 T120 | V118-G287 WeakPolarHBondContact O-CA 3.29Å; V118-G287 PolarHBondContact O-N 2.96Å; T120-G287 PolarHBondContact OG1-O 2.72Å |
| 288 | S | 97.9 | Very high | 98 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 57% | 0.566 | 24% | 0.238 | S | C | * | . | trans | -106.5 | 139.9 | -176.7 | 72.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 289 | V | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | trans | -104.6 | 140.8 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | K103 T120 V206 L271 V297 | K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.45Å; K103-V289 PolarHBondContact NZ-O 2.94Å; T120-V289 HydrophobicContact CG2-CB 4.13Å; T120-V289 HydrophobicContact CG2-CG2 3.96Å; V206-V289 HydrophobicContact CB-CG1 4.12Å; V206-V289 HydrophobicContact CB-CG2 4.4Å; V206-V289 HydrophobicContact CG1-CG1 3.39Å; V206-V289 HydrophobicContact CG1-CG2 4.33Å; V206-V289 HydrophobicContact CG2-CG2 4.38Å; L271-V289 HydrophobicContact CD1-CG2 4.12Å; V289-V297 HydrophobicContact CG1-CG1 4.08Å | ||
| 290 | P | 98.3 | Very high | 98.2 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 16% | 0.156 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -58.2 | 146.1 | 175 | 21.7 | -32.7 | 0 | 0 | 0 | 112.6 | A208 T210 | A208-P290 HydrophobicContact CB-CB 4.36Å; A208-P290 HydrophobicContact CB-CG 4.1Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.45Å; T210-P290 HydrophobicContact CG2-CB 4.15Å |
| 291 | G | 97.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 104 | 164.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K103 K209 | K103-G291 PolarHBondContact NZ-O 2.84Å; K209-G291 WeakPolarHBondContact O-CA 3.37Å |
| 292 | H | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 37.3 Ų | 37.3 | 51% | 0.505 | 20% | 0.197 | S | C | . | . | trans | -75.8 | 167.7 | 179.2 | 61 | 87.1 | 0 | 0 | 0 | 111.4 | I211 C295 | I211-H292 HydrophobicContact CD1-CB 4.45Å; I211-H292 HydrophobicContact CG1-CB 4.16Å; H292-C295 WeakPolarHBondContact O-CB 3.5Å; H292-C295 PolarHBondContact O-N 2.73Å; H292-C295 PolarHBondContact O-SG 2.68Å | ||
| 293 | K | 98.1 | Very high | 98 | Very high | 150 Ų | 150 | 43 Ų | 43 | 65% | 0.652 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 145.5 | 170.4 | -62.3 | -176.7 | -177.8 | -178.6 | 0 | 109.8 | K103 C295 | K103-K293 CarbonylContact O-C 3.59Å; K293-C295 VanDerWaalsContact C-N 3.25Å; K293-C295 PolarHBondContact O-N 3.03Å |
| 294 | N | 97.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 45.8 Ų | 45.8 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 19.8 | -174.6 | -53.8 | -26.9 | 0 | 0 | 0 | 115.6 | L102 K103 | L102-N294 HydrophobicContact CD2-CB 4.33Å; K103-N294 WeakPolarHBondContact O-CA 3.49Å; K103-N294 PolarHBondContact O-N 3.41Å |
| 295 | C | 97.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | trans | -86.3 | 152.6 | 171 | 78.6 | 0 | 0 | 0 | 0 | 111.8 | L102 K103 H292 K293 | L102-C295 WeakPolarHBondContact CA-O 3.39Å; K103-C295 PolarHBondContact N-O 3.39Å; H292-C295 WeakPolarHBondContact O-CB 3.5Å; H292-C295 PolarHBondContact O-N 2.73Å; H292-C295 PolarHBondContact O-SG 2.68Å; K293-C295 VanDerWaalsContact C-N 3.25Å; K293-C295 PolarHBondContact O-N 3.03Å | ||
| 296 | L | 98.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.3 | 174.1 | -69.4 | 162.2 | 0 | 0 | 0 | 110.2 | I100 A101 L102 K150 Q174 T175 | I100-L296 HydrophobicContact CG2-CB 4.42Å; I100-L296 HydrophobicContact CG2-CD2 4.07Å; A101-L296 CarbonylContact O-C 3.59Å; A101-L296 WeakPolarHBondContact O-CA 3.38Å; L102-L296 HydrophobicContact CB-CD2 4.43Å; K150-L296 HydrophobicContact CB-CD1 4.18Å; K150-L296 HydrophobicContact CB-CD2 3.82Å; K150-L296 HydrophobicContact CD-CD1 4.31Å; K150-L296 HydrophobicContact CD-CD2 4.32Å; Q174-L296 HydrophobicContact CB-CD1 3.68Å; Q174-L296 HydrophobicContact CG-CD1 3.83Å; T175-L296 HydrophobicContact CG2-CB 4.24Å; T175-L296 HydrophobicContact CG2-CD1 3.59Å; T175-L296 WeakPolarHBondContact OG1-CD1 3.36Å |
| 297 | V | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.6 | -176.5 | -52 | 0 | 0 | 0 | 0 | 110 | I100 A101 K103 L122 V206 A208 V289 V299 | I100-V297 WeakPolarHBondContact CA-O 3.34Å; A101-V297 HydrophobicContact CB-CG2 4.08Å; A101-V297 PolarHBondContact N-O 2.9Å; A101-V297 WeakPolarHBondContact O-CG2 3.33Å; A101-V297 PolarHBondContact O-N 3.36Å; K103-V297 HydrophobicContact CB-CG1 4.12Å; L122-V297 HydrophobicContact CD1-CG2 4.1Å; L122-V297 HydrophobicContact CD2-CG2 3.83Å; V206-V297 HydrophobicContact CG1-CB 3.83Å; V206-V297 HydrophobicContact CG1-CG2 3.93Å; A208-V297 HydrophobicContact CB-CB 4.11Å; A208-V297 HydrophobicContact CB-CG1 3.67Å; V289-V297 HydrophobicContact CG1-CG1 4.08Å; V297-V299 HydrophobicContact CG2-CG2 4.02Å |
| 298 | K | 98.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.2 | 173.9 | -176.3 | -170.1 | -177.1 | 177.9 | 0 | 108.1 | K177 I178 F179 V206 T207 | K177-K298 HydrophobicContact CB-CD 4.22Å; K177-K298 HydrophobicContact CB-CG 4.32Å; K177-K298 HydrophobicContact CG-CB 4.34Å; K177-K298 HydrophobicContact CG-CD 4.44Å; K177-K298 HydrophobicContact CG-CG 4.38Å; I178-K298 PolarHBondContact O-NZ 2.83Å; F179-K298 VanDerWaalsContact CD1-CE 3.43Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.43Å; F179-K298 HydrophobicContact CZ-CD 4.14Å; F179-K298 HydrophobicContact CZ-CG 3.48Å; F179-K298 VanDerWaalsContact CZ-CG 3.48Å; V206-K298 CarbonylContact C-O 3.46Å; V206-K298 WeakPolarHBondContact CA-O 3.5Å; T207-K298 PolarHBondContact N-O 3.16Å; T207-K298 PolarHBondContact O-N 3.3Å |
| 299 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.3 | 178.4 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | G98 L99 A101 L122 F179 F198 V204 V206 V297 | G98-V299 CarbonylContact C-O 3.36Å; G98-V299 VanDerWaalsContact CA-O 3.3Å; G98-V299 WeakPolarHBondContact CA-O 3.02Å; L99-V299 PolarHBondContact N-O 2.97Å; L99-V299 PolarHBondContact O-N 3.02Å; A101-V299 HydrophobicContact CB-CG2 4.3Å; L122-V299 HydrophobicContact CD1-CG2 3.78Å; F179-V299 WeakPolarHBondContact CE1-O 3.28Å; F198-V299 HydrophobicContact CE2-CB 4.1Å; F198-V299 HydrophobicContact CE2-CG1 3.63Å; F198-V299 HydrophobicContact CZ-CB 4.26Å; F198-V299 HydrophobicContact CZ-CG1 3.67Å; V204-V299 HydrophobicContact CB-CG1 3.99Å; V204-V299 HydrophobicContact CG1-CG1 4.3Å; V204-V299 HydrophobicContact CG2-CG1 4.15Å; V206-V299 HydrophobicContact CG1-CG2 4.26Å; V206-V299 HydrophobicContact CG2-CG1 4.29Å; V206-V299 HydrophobicContact CG2-CG2 4.26Å; V297-V299 HydrophobicContact CG2-CG2 4.02Å |
| 300 | R | 98.1 | Very high | 96.2 | Very high | 54 Ų | 54 | 65 Ų | 65 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 165.2 | 175.1 | 57.3 | 177.9 | -178.8 | 73.9 | 14.2 | 109.9 | F179 V204 D205 | F179-R300 HydrophobicContact CD1-CB 4.29Å; F179-R300 HydrophobicContact CE1-CB 4.1Å; V204-R300 CarbonylContact C-O 3.59Å; V204-R300 WeakPolarHBondContact CA-O 3.31Å; V204-R300 WeakPolarHBondContact CB-O 3.15Å; D205-R300 HydrophobicContact CB-CG 4.19Å; D205-R300 PolarHBondContact N-O 3.16Å; D205-R300 PolarHBondContact O-N 3.18Å; D205-R300 VanDerWaalsContact O-N 3.09Å; D205-R300 IonicContact OD2-CZ 3.71Å; D205-R300 IonicContact OD2-NH1 2.88Å; D205-R300 PolarHBondContact OD2-NH1 2.64Å; D205-R300 IonicContact OD2-NH2 3.57Å; D205-R300 PolarHBondContact OD2-NH2 3.14Å |
| 301 | D | 97.7 | Very high | 95.5 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 148 | 170.9 | -64.8 | -18.5 | 0 | 0 | 0 | 111.3 | R96 F198 | R96-D301 WeakPolarHBondContact CG-OD2 3.31Å; R96-D301 IonicContact CZ-OD1 3.81Å; R96-D301 IonicContact CZ-OD2 2.68Å; R96-D301 IonicContact NE-OD1 3.56Å; R96-D301 IonicContact NE-OD2 3.71Å; R96-D301 PolarHBondContact NE-OD2 3.42Å; R96-D301 IonicContact NH2-OD1 3.27Å; R96-D301 PolarHBondContact NH2-OD1 3.42Å; R96-D301 IonicContact NH2-OD2 3.57Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.44Å |
| 302 | S | 97.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | trans | -69.2 | 137.4 | -177 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | Y203 D205 L304 | Y203-S302 WeakPolarHBondContact O-CB 3.29Å; Y203-S302 PolarHBondContact O-N 2.73Å; D205-S302 WeakPolarHBondContact OD1-CA 3.44Å; D205-S302 WeakPolarHBondContact OD1-CB 3.46Å; D205-S302 PolarHBondContact OD1-OG 2.94Å; S302-L304 VanDerWaalsContact C-N 3.34Å | ||
| 303 | K | 95.2 | Very high | 94.7 | Very high | 137 Ų | 137 | 73.4 Ų | 73.4 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | trans | -90.2 | 2.2 | 176.3 | 73.4 | 178.3 | -164.2 | 177.6 | 0 | 113.9 | D205 F269 | D205-K303 WeakPolarHBondContact OD2-CG 3.39Å; D205-K303 PolarHBondContact OD2-N 3.38Å; F269-K303 HydrophobicContact CD1-CD 4.46Å; F269-K303 HydrophobicContact CD1-CG 4.2Å; F269-K303 HydrophobicContact CE1-CD 3.89Å; F269-K303 HydrophobicContact CE1-CG 4.13Å | ||
| 304 | L | 96.6 | Very high | 94.6 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | trans | -68 | 137.8 | -176.7 | -68.6 | 174.6 | 0 | 0 | 0 | 109.8 | F269 S302 A306 Y307 | F269-L304 HydrophobicContact CB-CD1 4.15Å; F269-L304 HydrophobicContact CB-CD2 4.39Å; F269-L304 HydrophobicContact CB-CG 4.32Å; S302-L304 VanDerWaalsContact C-N 3.34Å; L304-A306 PolarHBondContact O-N 3.35Å; L304-A306 VanDerWaalsContact O-N 3.15Å; L304-Y307 HydrophobicContact CB-CD2 3.86Å; L304-Y307 HydrophobicContact CB-CE2 4.23Å; L304-Y307 HydrophobicContact CD1-CD2 4.2Å; L304-Y307 HydrophobicContact CD1-CE2 3.83Å; L304-Y307 PolarHBondContact O-N 3.45Å | ||
| 305 | P | 95.2 | Very high | 94.4 | Very high | 114 Ų | 114 | 64 Ų | 64 | 74% | 0.74 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -56.6 | -33.8 | -176.4 | -27 | 34.8 | 0 | 0 | 0 | 114 | Y307 K308 | P305-Y307 PolarHBondContact O-N 3.31Å; P305-K308 WeakPolarHBondContact O-CB 3.26Å; P305-K308 PolarHBondContact O-N 3.04Å |
| 306 | A | 96.1 | Very high | 94.3 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L304 | L304-A306 PolarHBondContact O-N 3.35Å; L304-A306 VanDerWaalsContact O-N 3.15Å |
| 307 | Y | 93.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 63.6 Ų | 63.6 | 26% | 0.259 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -111.7 | 13.5 | -177.5 | -48.4 | -49.3 | 0 | 0 | 0 | 112.4 | Y203 L304 P305 L310 | Y203-Y307 HydrophobicContact CD1-CD2 4.25Å; Y203-Y307 HydrophobicContact CD1-CE1 4.23Å; Y203-Y307 AromaticContact CD1-CE2 3.64Å; Y203-Y307 HydrophobicContact CD1-CE2 3.64Å; Y203-Y307 AromaticContact CD1-CZ 3.63Å; Y203-Y307 AromaticContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD2 4.2Å; Y203-Y307 AromaticContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE2 4.14Å; Y203-Y307 AromaticContact CD2-CG 3.96Å; Y203-Y307 HydrophobicContact CD2-CG 3.96Å; Y203-Y307 AromaticContact CD2-CZ 3.82Å; Y203-Y307 HydrophobicContact CE1-CE1 4.17Å; Y203-Y307 HydrophobicContact CE1-CE2 4.12Å; Y203-Y307 AromaticContact CE1-CZ 3.64Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.49Å; Y203-Y307 AromaticContact CE2-CD1 3.98Å; Y203-Y307 HydrophobicContact CE2-CD1 3.98Å; Y203-Y307 AromaticContact CE2-CE1 3.5Å; Y203-Y307 HydrophobicContact CE2-CE1 3.5Å; Y203-Y307 AromaticContact CE2-CZ 3.86Å; Y203-Y307 HydrophobicContact CG-CD1 4.07Å; Y203-Y307 AromaticContact CG-CD2 3.78Å; Y203-Y307 HydrophobicContact CG-CD2 3.78Å; Y203-Y307 AromaticContact CG-CE1 3.93Å; Y203-Y307 HydrophobicContact CG-CE1 3.93Å; Y203-Y307 AromaticContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CG 4.01Å; Y203-Y307 AromaticContact CG-CZ 3.71Å; Y203-Y307 AromaticContact CZ-CE1 3.81Å; Y203-Y307 AromaticContact CZ-CZ 3.75Å; L304-Y307 HydrophobicContact CB-CD2 3.86Å; L304-Y307 HydrophobicContact CB-CE2 4.23Å; L304-Y307 HydrophobicContact CD1-CD2 4.2Å; L304-Y307 HydrophobicContact CD1-CE2 3.83Å; L304-Y307 PolarHBondContact O-N 3.45Å; P305-Y307 PolarHBondContact O-N 3.31Å; Y307-L310 HydrophobicContact CD1-CD1 4.01Å |
| 308 | K | 91.4 | Very high | 94 | Very high | 133 Ų | 133 | 63.8 Ų | 63.8 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 142.9 | 175.5 | -164.2 | -169.8 | 167.6 | -168.7 | 0 | 109.2 | P305 L310 | P305-K308 WeakPolarHBondContact O-CB 3.26Å; P305-K308 PolarHBondContact O-N 3.04Å; K308-L310 PolarHBondContact O-N 2.83Å |
| 309 | D | 89.2 | Confident | 93.9 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 7.1 | 174.8 | -52.2 | -46.2 | 0 | 0 | 0 | 116.1 | W90 G93 G311 | W90-D309 HydrophobicContact CH2-CB 4.29Å; W90-D309 HydrophobicContact CZ2-CB 4.2Å; G93-D309 PolarHBondContact N-OD1 2.81Å; D309-G311 PolarHBondContact O-N 2.8Å |
| 310 | L | 88.9 | Confident | 93.7 | Very high | 112 Ų | 112 | 64.3 Ų | 64.3 | 59% | 0.586 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -70.5 | -3.2 | 168.6 | -65.5 | -178.8 | 0 | 0 | 0 | 113.5 | Y307 K308 K312 | Y307-L310 HydrophobicContact CD1-CD1 4.01Å; K308-L310 PolarHBondContact O-N 2.83Å; L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 PolarHBondContact O-N 2.88Å |
| 311 | G | 82.2 | Confident | 93.3 | Very high | 20 Ų | 20 | 64 Ų | 64 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -76.9 | -2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D309 N313 L314 | D309-G311 PolarHBondContact O-N 2.8Å; G311-N313 VanDerWaalsContact C-N 3.26Å; G311-N313 PolarHBondContact O-N 3.4Å; G311-L314 WeakPolarHBondContact O-CB 3.39Å; G311-L314 PolarHBondContact O-N 3.36Å; G311-L314 VanDerWaalsContact O-N 3.14Å |
| 312 | K | 89.6 | Confident | 92.7 | Very high | 147 Ų | 147 | 65 Ų | 65 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -58 | -35.9 | -177.8 | -174.2 | -178.8 | 178.2 | -174.7 | 0 | 113.5 | W90 L310 | W90-K312 HydrophobicContact CD2-CB 4.25Å; W90-K312 HydrophobicContact CE3-CB 3.96Å; W90-K312 HydrophobicContact CE3-CG 3.88Å; W90-K312 HydrophobicContact CH2-CB 4.07Å; W90-K312 HydrophobicContact CZ2-CB 4.36Å; W90-K312 HydrophobicContact CZ3-CB 3.87Å; W90-K312 HydrophobicContact CZ3-CD 4.25Å; W90-K312 HydrophobicContact CZ3-CG 3.91Å; L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 PolarHBondContact O-N 2.88Å |
| 313 | N | 90.8 | Very high | 91.8 | Very high | 150 Ų | 150 | 66.4 Ų | 66.4 | 80% | 0.802 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -95.4 | 9.2 | -177.1 | -62.6 | -3.6 | 0 | 0 | 0 | 112.8 | G311 | G311-N313 VanDerWaalsContact C-N 3.26Å; G311-N313 PolarHBondContact O-N 3.4Å |
| 314 | L | 95 | Very high | 91.1 | Very high | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -99.9 | 153.9 | -178.4 | -60 | 177.7 | 0 | 0 | 0 | 110.2 | R199 G311 F316 | R199-L314 HydrophobicContact CB-CD2 3.74Å; R199-L314 HydrophobicContact CG-CD2 3.92Å; G311-L314 WeakPolarHBondContact O-CB 3.39Å; G311-L314 PolarHBondContact O-N 3.36Å; G311-L314 VanDerWaalsContact O-N 3.14Å; L314-F316 PolarHBondContact O-N 2.85Å |
| 315 | P | 94.9 | Very high | 90 | Very high | 24 Ų | 24 | 70.9 Ų | 70.9 | 16% | 0.156 | 39% | 0.387 | C | S | . | . | trans | -63.4 | 128.2 | 176.7 | 26.6 | -34.3 | 0 | 0 | 0 | 110.1 | R96 H197 | R96-P315 PolarHBondContact NH1-O 2.92Å; H197-P315 WeakPolarHBondContact O-CG 3.17Å | ||
| 316 | F | 95.7 | Very high | 89.6 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 13% | 0.132 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -132.6 | 129.9 | -179.2 | -172.2 | -91.9 | 0 | 0 | 0 | 109.2 | H88 W90 R96 N184 A185 L314 | H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.3Å; H88-F316 WeakPolarHBondContact O-CE1 3.42Å; W90-F316 HydrophobicContact CB-CB 4.33Å; W90-F316 HydrophobicContact CB-CD1 4.41Å; W90-F316 HydrophobicContact CB-CG 4.22Å; R96-F316 HydrophobicContact CB-CD2 3.97Å; R96-F316 HydrophobicContact CB-CE2 4.01Å; N184-F316 HydrophobicContact CB-CE1 4.44Å; N184-F316 HydrophobicContact CB-CZ 4.35Å; N184-F316 VanDerWaalsContact O-CE1 3.29Å; N184-F316 WeakPolarHBondContact O-CE1 3.27Å; N184-F316 WeakPolarHBondContact O-CZ 3.43Å; A185-F316 HydrophobicContact CB-CE2 3.68Å; A185-F316 HydrophobicContact CB-CZ 3.57Å; L314-F316 PolarHBondContact O-N 2.85Å |
| 317 | P | 93.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 4% | 0.039 | 40% | 0.398 | C | S | . | . | S | Bend | cis | -75.7 | -23.9 | 2.7 | 30.4 | -37.8 | 0 | 0 | 0 | 114.1 | I187 F320 | I187-P317 HydrophobicContact CD1-CB 4.13Å; I187-P317 HydrophobicContact CG1-CB 3.88Å; I187-P317 HydrophobicContact CG1-CG 4.19Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.36Å |
| 318 | T | 96.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | trans | -156.1 | 174.6 | 173.9 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | I187 L193 H197 F320 | I187-T318 HydrophobicContact CD1-CG2 3.9Å; L193-T318 HydrophobicContact CD2-CG2 4.06Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.38Å; H197-T318 PolarHBondContact ND1-OG1 3.11Å; T318-F320 HydrophobicContact CG2-CD1 4.34Å; T318-F320 HydrophobicContact CG2-CD2 4.4Å; T318-F320 HydrophobicContact CG2-CE1 3.8Å; T318-F320 HydrophobicContact CG2-CE2 3.86Å; T318-F320 HydrophobicContact CG2-CZ 3.54Å | ||
| 319 | Y | 95.7 | Very high | 89.3 | Confident | 22 Ų | 22 | 74 Ų | 74 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | trans | -79.5 | 133.6 | 170.8 | 173.7 | -102.4 | 0 | 0 | 0 | 110.9 | A196 P321 D324 L328 | A196-Y319 HydrophobicContact CB-CD1 3.54Å; A196-Y319 HydrophobicContact CB-CD2 4.31Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CE2 4.5Å; A196-Y319 HydrophobicContact CB-CG 3.81Å; Y319-P321 HydrophobicContact CE1-CB 3.97Å; Y319-D324 VanDerWaalsContact CE2-OD2 3.3Å; Y319-D324 WeakPolarHBondContact CE2-OD2 3.45Å; Y319-L328 HydrophobicContact CD2-CD1 4.27Å; Y319-L328 HydrophobicContact CE1-CD1 4.39Å; Y319-L328 HydrophobicContact CE2-CD1 3.48Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.48Å; Y319-L328 HydrophobicContact CE2-CG 4.11Å; Y319-L328 WeakPolarHBondContact OH-CD1 3.11Å | ||
| 320 | F | 94 | Very high | 89.6 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | trans | -120.8 | 111 | 177.3 | -64.1 | -77.4 | 0 | 0 | 0 | 109.9 | P79 L80 I87 T191 P317 T318 D322 G323 | P79-F320 HydrophobicContact CG-CD1 3.95Å; P79-F320 HydrophobicContact CG-CE1 4.27Å; L80-F320 HydrophobicContact CD1-CB 3.65Å; L80-F320 HydrophobicContact CD1-CD1 4.47Å; L80-F320 HydrophobicContact CD1-CG 4.06Å; L80-F320 HydrophobicContact CD2-CB 4.4Å; L80-F320 HydrophobicContact CD2-CD1 3.83Å; L80-F320 HydrophobicContact CD2-CD2 4.16Å; L80-F320 HydrophobicContact CD2-CE1 4.05Å; L80-F320 HydrophobicContact CD2-CE2 4.36Å; L80-F320 HydrophobicContact CD2-CG 3.88Å; L80-F320 HydrophobicContact CD2-CZ 4.3Å; L80-F320 HydrophobicContact CG-CB 4.03Å; L80-F320 HydrophobicContact CG-CD1 3.92Å; L80-F320 HydrophobicContact CG-CG 3.99Å; I87-F320 HydrophobicContact CD1-CE2 4.17Å; T191-F320 HydrophobicContact CG2-CE1 4.09Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.36Å; T318-F320 HydrophobicContact CG2-CD1 4.34Å; T318-F320 HydrophobicContact CG2-CD2 4.4Å; T318-F320 HydrophobicContact CG2-CE1 3.8Å; T318-F320 HydrophobicContact CG2-CE2 3.86Å; T318-F320 HydrophobicContact CG2-CZ 3.54Å; F320-D322 VanDerWaalsContact C-N 3.29Å; F320-D322 PolarHBondContact O-N 3Å; F320-G323 PolarHBondContact O-N 3.22Å | ||
| 321 | P | 90.5 | Very high | 90 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 31% | 0.312 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.3 | -179.3 | 26.7 | -33.6 | 0 | 0 | 0 | 113.4 | Y194 Y319 G323 | Y194-P321 HydrophobicContact CD2-CG 4.1Å; Y194-P321 HydrophobicContact CE2-CG 3.65Å; Y319-P321 HydrophobicContact CE1-CB 3.97Å; P321-G323 VanDerWaalsContact C-N 3.31Å; P321-G323 PolarHBondContact O-N 2.78Å |
| 322 | D | 85.4 | Confident | 90.7 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.353 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.1 | -176.3 | -42.7 | -41.6 | 0 | 0 | 0 | 114.2 | C78 P79 L80 F320 | C78-D322 WeakPolarHBondContact CA-OD2 3.35Å; P79-D322 VanDerWaalsContact CD-OD2 3.25Å; P79-D322 WeakPolarHBondContact CD-OD2 3.29Å; L80-D322 HydrophobicContact CD1-CB 4.48Å; F320-D322 VanDerWaalsContact C-N 3.29Å; F320-D322 PolarHBondContact O-N 3Å |
| 323 | G | 77.9 | Confident | 91 | Very high | 45 Ų | 45 | 67.6 Ų | 67.6 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -17.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L80 F320 P321 | L80-G323 VanDerWaalsContact CD1-CA 3.47Å; F320-G323 PolarHBondContact O-N 3.22Å; P321-G323 VanDerWaalsContact C-N 3.31Å; P321-G323 PolarHBondContact O-N 2.78Å |
| 324 | D | 79.8 | Confident | 91.4 | Very high | 86 Ų | 86 | 61.4 Ų | 61.4 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | trans | -85.3 | 128.7 | 175.3 | -78 | -17.1 | 0 | 0 | 0 | 108.9 | Y319 E326 | Y319-D324 VanDerWaalsContact CE2-OD2 3.3Å; Y319-D324 WeakPolarHBondContact CE2-OD2 3.45Å; D324-E326 PolarHBondContact O-N 2.88Å | ||
| 325 | E | 73.8 | Confident | 91.4 | Very high | 205 Ų | 205 | 67.7 Ų | 67.7 | 96% | 0.958 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -68.5 | -22.3 | 176.6 | -63.9 | -179 | -177.3 | 0 | 0 | 112 | ||
| 326 | E | 85.9 | Confident | 91.5 | Very high | 164 Ų | 164 | 70 Ų | 70 | 77% | 0.766 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -112 | 123.2 | -179.6 | -68.1 | -174.7 | 174.3 | 0 | 0 | 111.7 | D324 L328 | D324-E326 PolarHBondContact O-N 2.88Å; E326-L328 PolarHBondContact O-N 3.26Å |
| 327 | E | 87.9 | Confident | 91.5 | Very high | 187 Ų | 187 | 68.8 Ų | 68.8 | 87% | 0.874 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 130.1 | 172.3 | -166.8 | 177.7 | 178.6 | 0 | 0 | 110.2 | ||
| 328 | L | 93.5 | Very high | 91.6 | Very high | 29 Ų | 29 | 70.3 Ų | 70.3 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -63 | 145.9 | 176.4 | -65.4 | 175.8 | 0 | 0 | 0 | 111.1 | A196 T278 Y319 E326 L332 | A196-L328 HydrophobicContact CB-CD1 3.9Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.35Å; Y319-L328 HydrophobicContact CD2-CD1 4.27Å; Y319-L328 HydrophobicContact CE1-CD1 4.39Å; Y319-L328 HydrophobicContact CE2-CD1 3.48Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.48Å; Y319-L328 HydrophobicContact CE2-CG 4.11Å; Y319-L328 WeakPolarHBondContact OH-CD1 3.11Å; E326-L328 PolarHBondContact O-N 3.26Å; L328-L332 HydrophobicContact CD1-CD1 4.3Å |
| 329 | P | 95.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 75.1 Ų | 75.1 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 154.8 | 170.7 | -26.3 | 33.1 | 0 | 0 | 0 | 112.8 | T278 D331 L332 | T278-P329 WeakPolarHBondContact CG2-O 3.31Å; T278-P329 PolarHBondContact OG1-O 3.32Å; P329-D331 PolarHBondContact O-N 2.93Å; P329-L332 HydrophobicContact CB-CD2 4.46Å; P329-L332 HydrophobicContact CG-CD2 4.27Å |
| 330 | E | 94.9 | Very high | 91.4 | Very high | 99 Ų | 99 | 78.5 Ų | 78.5 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -55.9 | -36.9 | 179.3 | -177 | 168.1 | -159.8 | 0 | 0 | 112.1 | N277 T278 K279 | N277-E330 WeakPolarHBondContact CA-O 3.38Å; T278-E330 PolarHBondContact N-O 3.2Å; T278-E330 WeakPolarHBondContact OG1-CA 3.11Å; T278-E330 PolarHBondContact OG1-O 3.42Å; K279-E330 HydrophobicContact CB-CG 4.25Å; K279-E330 HydrophobicContact CD-CG 4.48Å; K279-E330 WeakPolarHBondContact CD-OE1 3.39Å; K279-E330 IonicContact NZ-OE1 3.4Å; K279-E330 PolarHBondContact NZ-OE1 2.99Å |
| 331 | D | 96.6 | Very high | 91.4 | Very high | 33 Ų | 33 | 81.2 Ų | 81.2 | 18% | 0.176 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.5 | 175.7 | -70.5 | -61.8 | 0 | 0 | 0 | 112 | R275 I276 N277 P329 Y333 | R275-D331 IonicContact CZ-OD1 2.94Å; R275-D331 VanDerWaalsContact CZ-OD1 3.27Å; R275-D331 IonicContact CZ-OD2 3.69Å; R275-D331 VanDerWaalsContact NE-CG 3.32Å; R275-D331 IonicContact NE-OD1 2.76Å; R275-D331 PolarHBondContact NE-OD1 3.09Å; R275-D331 IonicContact NE-OD2 3.18Å; R275-D331 IonicContact NH2-OD1 2.87Å; R275-D331 PolarHBondContact NH2-OD1 3.31Å; R275-D331 IonicContact NH2-OD2 2.65Å; R275-D331 PolarHBondContact NH2-OD2 3.28Å; I276-D331 CarbonylContact O-C 3.55Å; I276-D331 WeakPolarHBondContact O-CA 3.46Å; N277-D331 VanDerWaalsContact CB-OD1 3.31Å; N277-D331 WeakPolarHBondContact CB-OD1 3.41Å; N277-D331 PolarHBondContact ND2-OD1 3Å; P329-D331 PolarHBondContact O-N 2.93Å; D331-Y333 HydrophobicContact CB-CD2 4.1Å; D331-Y333 HydrophobicContact CB-CE2 3.34Å; D331-Y333 PolarHBondContact OD2-OH 3.12Å |
| 332 | L | 96.9 | Very high | 91.6 | Very high | 28 Ų | 28 | 81.4 Ų | 81.4 | 15% | 0.147 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.7 | 168.9 | -59.3 | 175.8 | 0 | 0 | 0 | 108.6 | P200 R275 I276 L328 P329 | P200-L332 HydrophobicContact CG-CB 3.62Å; P200-L332 VanDerWaalsContact CG-O 3.32Å; P200-L332 WeakPolarHBondContact CG-O 3.18Å; R275-L332 CarbonylContact C-O 3.57Å; R275-L332 WeakPolarHBondContact CA-O 3.37Å; I276-L332 HydrophobicContact CB-CB 4.48Å; I276-L332 PolarHBondContact N-O 3.35Å; I276-L332 PolarHBondContact O-N 2.74Å; L328-L332 HydrophobicContact CD1-CD1 4.3Å; P329-L332 HydrophobicContact CB-CD2 4.46Å; P329-L332 HydrophobicContact CG-CD2 4.27Å |
| 333 | Y | 97.4 | Very high | 92 | Very high | 52 Ų | 52 | 84.1 Ų | 84.1 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 146.8 | 177.9 | -63.9 | -90.5 | 0 | 0 | 0 | 110.9 | R275 D331 V337 Q339 P340 | R275-Y333 HydrophobicContact CB-CD1 4.4Å; R275-Y333 VanDerWaalsContact CD-CE1 3.49Å; R275-Y333 HydrophobicContact CG-CD1 4.11Å; R275-Y333 HydrophobicContact CG-CE1 4.06Å; R275-Y333 PolarHBondContact NH1-OH 3.34Å; R275-Y333 PolarHBondContact NH2-OH 3.27Å; D331-Y333 HydrophobicContact CB-CD2 4.1Å; D331-Y333 HydrophobicContact CB-CE2 3.34Å; D331-Y333 PolarHBondContact OD2-OH 3.12Å; Y333-V337 HydrophobicContact CD1-CG1 3.92Å; Y333-Q339 HydrophobicContact CD1-CG 4.13Å; Y333-Q339 HydrophobicContact CD2-CG 3.91Å; Y333-Q339 HydrophobicContact CE1-CG 4.43Å; Y333-Q339 HydrophobicContact CE2-CG 4.24Å; Y333-Q339 HydrophobicContact CG-CG 3.87Å; Y333-P340 HydrophobicContact CE1-CG 4.47Å; Y333-P340 VanDerWaalsContact OH-CD 3.31Å; Y333-P340 WeakPolarHBondContact OH-CD 3.42Å |
| 334 | D | 97.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 87.2 Ų | 87.2 | 11% | 0.112 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 152.2 | 165.4 | -176.8 | 48.1 | 0 | 0 | 0 | 110.8 | P200 K272 W274 N336 V337 | P200-D334 HydrophobicContact CB-CB 3.91Å; K272-D334 WeakPolarHBondContact CE-OD2 3.34Å; K272-D334 IonicContact NZ-OD1 3.69Å; K272-D334 IonicContact NZ-OD2 2.89Å; K272-D334 PolarHBondContact NZ-OD2 3.1Å; W274-D334 HydrophobicContact CE3-CB 4.14Å; W274-D334 VanDerWaalsContact CZ3-OD2 3.24Å; W274-D334 WeakPolarHBondContact CZ3-OD2 3.34Å; W274-D334 VanDerWaalsContact O-CB 3.31Å; W274-D334 WeakPolarHBondContact O-CB 3.44Å; W274-D334 PolarHBondContact O-N 3.15Å; D334-N336 PolarHBondContact O-N 3.07Å; D334-N336 VanDerWaalsContact O-N 3.13Å; D334-V337 HydrophobicContact CB-CG2 3.92Å; D334-V337 WeakPolarHBondContact O-CB 3.43Å; D334-V337 PolarHBondContact O-N 2.88Å |
| 335 | E | 96.2 | Very high | 93.5 | Very high | 161 Ų | 161 | 86.5 Ų | 86.5 | 75% | 0.752 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35 | -171.1 | -67 | 176.2 | -174.3 | 0 | 0 | 113 | K112 V337 | K112-E335 WeakPolarHBondContact CD-O 3.17Å; K112-E335 WeakPolarHBondContact CE-O 3.48Å; K112-E335 PolarHBondContact NZ-O 2.92Å; E335-V337 VanDerWaalsContact C-N 3.31Å; E335-V337 PolarHBondContact O-N 2.64Å |
| 336 | N | 96.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 82.3 Ų | 82.3 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.5 | -175.2 | -62 | -5 | 0 | 0 | 0 | 113.2 | T111 K112 W274 D334 | T111-N336 CarbonylContact C-O 3.59Å; T111-N336 WeakPolarHBondContact CA-O 3.31Å; T111-N336 VanDerWaalsContact CB-O 3.31Å; T111-N336 WeakPolarHBondContact CB-O 3.47Å; K112-N336 PolarHBondContact N-O 3.46Å; W274-N336 HydrophobicContact CZ3-CB 4.38Å; D334-N336 PolarHBondContact O-N 3.07Å; D334-N336 VanDerWaalsContact O-N 3.13Å |
| 337 | V | 96.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 81.8 Ų | 81.8 | 2% | 0.018 | 47% | 0.468 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 134.9 | -175.8 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | L109 K112 W274 Y333 D334 E335 Q339 | L109-V337 HydrophobicContact CD1-CG1 4.04Å; L109-V337 HydrophobicContact CD2-CG1 3.99Å; L109-V337 HydrophobicContact CD2-CG2 4.02Å; L109-V337 HydrophobicContact CG-CG1 4.16Å; K112-V337 WeakPolarHBondContact CE-O 3.38Å; W274-V337 HydrophobicContact CB-CG2 4.33Å; W274-V337 HydrophobicContact CD2-CG2 4.32Å; W274-V337 HydrophobicContact CE3-CG2 3.51Å; W274-V337 HydrophobicContact CZ3-CG2 4.14Å; Y333-V337 HydrophobicContact CD1-CG1 3.92Å; D334-V337 HydrophobicContact CB-CG2 3.92Å; D334-V337 WeakPolarHBondContact O-CB 3.43Å; D334-V337 PolarHBondContact O-N 2.88Å; E335-V337 VanDerWaalsContact C-N 3.31Å; E335-V337 PolarHBondContact O-N 2.64Å; V337-Q339 PolarHBondContact O-N 3.41Å |
| 338 | C | 95.6 | Very high | 94.8 | Very high | 38 Ų | 38 | 80.6 Ų | 80.6 | 26% | 0.257 | 49% | 0.49 | S | S | . | . | trans | -73.5 | 115.4 | 167.1 | -74.2 | 0 | 0 | 0 | 0 | 109.8 | W110 T111 K112 I345 | W110-C338 PolarHBondContact O-N 2.66Å; W110-C338 VanDerWaalsContact O-N 3.11Å; T111-C338 PolarHBondContact O-SG 3.1Å; K112-C338 WeakPolarHBondContact CA-SG 3.3Å; K112-C338 PolarHBondContact N-SG 3.29Å; K112-C338 VanDerWaalsContact N-SG 3.43Å; C338-I345 VanDerWaalsContact SG-CD1 3.57Å | ||
| 339 | Q | 95.5 | Very high | 94.9 | Very high | 107 Ų | 107 | 83.2 Ų | 83.2 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | trans | -71.7 | 144.7 | 178.8 | -65.1 | -178 | 3.3 | 0 | 0 | 110.8 | Y333 V337 G341 A342 | Y333-Q339 HydrophobicContact CD1-CG 4.13Å; Y333-Q339 HydrophobicContact CD2-CG 3.91Å; Y333-Q339 HydrophobicContact CE1-CG 4.43Å; Y333-Q339 HydrophobicContact CE2-CG 4.24Å; Y333-Q339 HydrophobicContact CG-CG 3.87Å; V337-Q339 PolarHBondContact O-N 3.41Å; Q339-G341 PolarHBondContact O-N 3.11Å; Q339-A342 HydrophobicContact CB-CB 4.39Å; Q339-A342 VanDerWaalsContact O-CB 3.28Å; Q339-A342 WeakPolarHBondContact O-CB 3.4Å; Q339-A342 PolarHBondContact O-N 3.18Å; Q339-A342 VanDerWaalsContact O-N 3.09Å | ||
| 340 | P | 92.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 83.4 Ų | 83.4 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 122.6 | 170 | -18.6 | 31.2 | 0 | 0 | 0 | 110 | Y333 | Y333-P340 HydrophobicContact CE1-CG 4.47Å; Y333-P340 VanDerWaalsContact OH-CD 3.31Å; Y333-P340 WeakPolarHBondContact OH-CD 3.42Å |
| 341 | G | 93.1 | Very high | 94.9 | Very high | 87 Ų | 87 | 82.5 Ų | 82.5 | 90% | 0.897 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -3.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q339 | Q339-G341 PolarHBondContact O-N 3.11Š|
| 342 | A | 94.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 85.4 Ų | 85.4 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 153.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q339 | Q339-A342 HydrophobicContact CB-CB 4.39Å; Q339-A342 VanDerWaalsContact O-CB 3.28Å; Q339-A342 WeakPolarHBondContact O-CB 3.4Å; Q339-A342 PolarHBondContact O-N 3.18Å; Q339-A342 VanDerWaalsContact O-N 3.09Å |
| 343 | P | 95.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 89 Ų | 89 | 80% | 0.799 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 153.2 | 174.6 | 26.7 | -35.5 | 0 | 0 | 0 | 111.4 | I345 | P343-I345 PolarHBondContact O-N 3.37Š|
| 344 | S | 94.5 | Very high | 94.4 | Very high | 110 Ų | 110 | 91.5 Ų | 91.5 | 77% | 0.769 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136.1 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 111 | T346 | S344-T346 PolarHBondContact O-N 3.35Š|
| 345 | I | 94.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 96.5 Ų | 96.5 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 131 | 178.1 | -54.5 | 169.5 | 0 | 0 | 0 | 108.9 | T111 K112 C338 P343 F347 | T111-I345 WeakPolarHBondContact O-CD1 3.07Å; K112-I345 WeakPolarHBondContact O-CG2 3.22Å; C338-I345 VanDerWaalsContact SG-CD1 3.57Å; P343-I345 PolarHBondContact O-N 3.37Å; I345-F347 HydrophobicContact CG2-CD1 4.41Å; I345-F347 HydrophobicContact CG2-CD2 4.37Å; I345-F347 HydrophobicContact CG2-CE1 3.87Å; I345-F347 HydrophobicContact CG2-CE2 3.83Å; I345-F347 HydrophobicContact CG2-CZ 3.56Å |
| 346 | T | 94.3 | Very high | 94.1 | Very high | 118 Ų | 118 | 91.5 Ų | 91.5 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | trans | -127.4 | 119.1 | 173.7 | -55.4 | 0 | 0 | 0 | 0 | 107.9 | S344 A348 | S344-T346 PolarHBondContact O-N 3.35Å; T346-A348 PolarHBondContact O-N 3.26Å | ||
| 347 | F | 93.4 | Very high | 93.9 | Very high | 152 Ų | 152 | 93.1 Ų | 93.1 | 67% | 0.667 | 62% | 0.615 | S | S | * | * | trans | -90.5 | 89.9 | 172.4 | -55.2 | -76.5 | 0 | 0 | 0 | 107.4 | D113 I345 | D113-F347 WeakPolarHBondContact O-CZ 3.31Å; I345-F347 HydrophobicContact CG2-CD1 4.41Å; I345-F347 HydrophobicContact CG2-CD2 4.37Å; I345-F347 HydrophobicContact CG2-CE1 3.87Å; I345-F347 HydrophobicContact CG2-CE2 3.83Å; I345-F347 HydrophobicContact CG2-CZ 3.56Å | ||
| 348 | A | 86.7 | Confident | 93.6 | Very high | 163 Ų | 163 | 101.3 Ų | 101.3 | 100% | 1.347 | 67% | 0.669 | S | S | * | * | trans | -87.9 | 0 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T346 | T346-A348 PolarHBondContact O-N 3.26Š|
Retrieved 348 of 348 residues in 58.5 ms
(Link to these results)