| 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 | 47.3 | Very low | 34.8 | Very low | 244 Ų | 244 | 181.9 Ų | 181.9 | 100% | 1.202 | 91% | 0.914 | S | S | * | * | 0 | 116.2 | 0 | -64.1 | -169.2 | -173.4 | 0 | 0 | 107.2 | |||||
| 2 | P | 38.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 178.8 Ų | 178.8 | 79% | 0.792 | 91% | 0.911 | S | S | * | * | -150.7 | 162.4 | 90.8 | 34.2 | -14 | 0 | 0 | 0 | 115.3 | |||||
| 3 | A | 31.3 | Very low | 34.4 | Very low | 105 Ų | 105 | 173.2 Ų | 173.2 | 87% | 0.868 | 91% | 0.908 | S | S | * | * | trans | -83.9 | 136.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | K | 35.4 | Very low | 34.2 | Very low | 199 Ų | 199 | 167.9 Ų | 167.9 | 87% | 0.865 | 90% | 0.902 | S | S | * | * | trans | -108.5 | 126 | 171.7 | -91.1 | -177.7 | 176 | 177.6 | 0 | 110.5 | ||||
| 5 | K | 34.8 | Very low | 34.2 | Very low | 209 Ų | 209 | 164.9 Ų | 164.9 | 91% | 0.909 | 90% | 0.899 | S | S | * | * | trans | -66.8 | 142.6 | 164.2 | -75.7 | 174.8 | 172.8 | 176.3 | 0 | 110 | ||||
| 6 | T | 32.6 | Very low | 34 | Very low | 140 Ų | 140 | 159.2 Ų | 159.2 | 86% | 0.859 | 89% | 0.891 | S | S | * | * | trans | -141.4 | 121.2 | 158.2 | 17.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | T | 32.2 | Very low | 33.9 | Very low | 146 Ų | 146 | 160.8 Ų | 160.8 | 90% | 0.896 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -76 | 132.8 | 173.7 | 32.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 8 | N | 32.5 | Very low | 33.8 | Very low | 171 Ų | 171 | 160.7 Ų | 160.7 | 91% | 0.914 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 134.4 | -177 | -128 | -5.3 | 0 | 0 | 0 | 111.8 | ||
| 9 | K | 32.6 | Very low | 33.9 | Very low | 202 Ų | 202 | 158.8 Ų | 158.8 | 88% | 0.878 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 145.4 | -177.3 | -86.6 | 174.9 | 170.8 | 176.4 | 0 | 112.4 | ||
| 10 | R | 32.5 | Very low | 34.1 | Very low | 253 Ų | 253 | 160.3 Ų | 160.3 | 96% | 0.955 | 88% | 0.881 | S | S | * | * | trans | -44.4 | 135.4 | 163.4 | -98.5 | 173.5 | 166.7 | 169.8 | -4.6 | 112.5 | ||||
| 11 | K | 32.7 | Very low | 34.2 | Very low | 210 Ų | 210 | 161.1 Ų | 161.1 | 91% | 0.913 | 88% | 0.878 | S | S | * | * | trans | -124.8 | 135.6 | 154.7 | -94.8 | -174.7 | 175.8 | -177.5 | 0 | 109.8 | ||||
| 12 | T | 30.5 | Very low | 34.1 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -72.8 | 160.8 | -176.9 | 29 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 13 | A | 34.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 157.2 Ų | 157.2 | 88% | 0.876 | 86% | 0.858 | S | S | * | * | trans | -52.4 | 144.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 14 | A | 30.7 | Very low | 35.2 | Very low | 99 Ų | 99 | 161.9 Ų | 161.9 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -130.2 | 130.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 15 | S | 35.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -55.6 | 126.6 | 178.5 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | G | 30.3 | Very low | 38.2 | Very low | 74 Ų | 74 | 156.4 Ų | 156.4 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | trans | -120.4 | 81.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | D18 | G16-D18 VanDerWaalsContact C-N 3.26Å; G16-D18 PolarHBondContact O-N 3.38Å | ||
| 17 | E | 33.3 | Very low | 40.4 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 77.4 | 155.5 | -75.9 | -174 | 161.9 | 0 | 0 | 107.3 | ||||
| 18 | D | 31.3 | Very low | 43.2 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -118 | 83.5 | 158.3 | -86.8 | -39.1 | 0 | 0 | 0 | 105.9 | G16 E20 | G16-D18 VanDerWaalsContact C-N 3.26Å; G16-D18 PolarHBondContact O-N 3.38Å; D18-E20 PolarHBondContact O-N 3.2Å | ||
| 19 | V | 36.9 | Very low | 46.1 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | -66 | 103.8 | 168.4 | 176.3 | 0 | 0 | 0 | 0 | 106.5 | Q21 | V19-Q21 PolarHBondContact O-N 3.34Š| ||
| 20 | E | 36.8 | Very low | 49.1 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -57 | 88.9 | 164.2 | -126.7 | -179.7 | 175.5 | 0 | 0 | 108.3 | D18 A22 | D18-E20 PolarHBondContact O-N 3.2Å; E20-A22 PolarHBondContact O-N 2.82Å | ||
| 21 | Q | 36.1 | Very low | 52.2 | Low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | trans | -68.3 | 82.7 | 162 | -89.6 | -177 | -5.9 | 0 | 0 | 107.2 | V19 K23 | V19-Q21 PolarHBondContact O-N 3.34Å; Q21-K23 PolarHBondContact O-N 2.77Å | ||
| 22 | A | 44.5 | Very low | 55.2 | Low | 85 Ų | 85 | 124 Ų | 124 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | -53 | 107.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | E20 K24 | E20-A22 PolarHBondContact O-N 2.82Å; A22-K24 VanDerWaalsContact C-N 3.32Å; A22-K24 PolarHBondContact O-N 2.79Å | ||
| 23 | K | 44.5 | Very low | 58.3 | Low | 199 Ų | 199 | 118.4 Ų | 118.4 | 87% | 0.865 | 66% | 0.661 | S | S | * | * | trans | -54 | 98.7 | 168 | -77.7 | 177.8 | 175.6 | 176.6 | 0 | 107.1 | Q21 I25 | Q21-K23 PolarHBondContact O-N 2.77Å; K23-I25 PolarHBondContact O-N 2.9Å | ||
| 24 | K | 50.1 | Low | 61.3 | Low | 204 Ų | 204 | 114.4 Ų | 114.4 | 89% | 0.887 | 62% | 0.624 | S | S | * | * | trans | -56.9 | 109.8 | 169.2 | -81.5 | -178.6 | 175.6 | 178.7 | 0 | 106.4 | A22 K26 | A22-K24 VanDerWaalsContact C-N 3.32Å; A22-K24 PolarHBondContact O-N 2.79Å; K24-K26 PolarHBondContact O-N 3.1Å | ||
| 25 | I | 60.7 | Low | 64.2 | Low | 155 Ų | 155 | 112.3 Ų | 112.3 | 80% | 0.795 | 60% | 0.603 | S | S | * | * | trans | -57.8 | 113.2 | 171 | -63.9 | 172.7 | 0 | 0 | 0 | 105.5 | K23 V27 | K23-I25 PolarHBondContact O-N 2.9Å; I25-V27 PolarHBondContact O-N 3.27Å | ||
| 26 | K | 71.3 | Confident | 66.8 | Low | 138 Ų | 138 | 114.4 Ų | 114.4 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | trans | -66.4 | 106.6 | 176.5 | -169.5 | 178.2 | 175.8 | -170 | 0 | 106.5 | K24 V28 E140 | K24-K26 PolarHBondContact O-N 3.1Å; K26-V28 PolarHBondContact O-N 2.93Å; K26-E140 IonicContact NZ-OE1 3.72Å; K26-E140 PolarHBondContact NZ-OE1 2.95Å | ||
| 27 | V | 78.8 | Confident | 70 | Confident | 66 Ų | 66 | 115.6 Ų | 115.6 | 40% | 0.4 | 58% | 0.582 | S | S | . | * | trans | -66.4 | 119.7 | 174 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | I25 V29 D141 | I25-V27 PolarHBondContact O-N 3.27Å; V27-V29 HydrophobicContact CG1-CG1 4.28Å; V27-D141 WeakPolarHBondContact O-CA 3.5Å | ||
| 28 | V | 90.6 | Very high | 73.1 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | trans | -104.2 | 116.2 | 170 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | K26 E140 | K26-V28 PolarHBondContact O-N 2.93Å; V28-E140 CarbonylContact C-O 3.59Å; V28-E140 VanDerWaalsContact CA-O 3.28Å; V28-E140 WeakPolarHBondContact CA-O 3.45Å | ||
| 29 | V | 94.4 | Very high | 76.2 | Confident | 7 Ų | 7 | 101.4 Ų | 101.4 | 4% | 0.042 | 51% | 0.514 | C | S | . | . | trans | -80.1 | 142 | 179.6 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | V27 E140 P177 V178 V179 | V27-V29 HydrophobicContact CG1-CG1 4.28Å; V29-E140 WeakPolarHBondContact CG2-O 3.42Å; V29-E140 PolarHBondContact N-O 3.28Å; V29-P177 HydrophobicContact CG1-CB 4.05Å; V29-V178 WeakPolarHBondContact CG1-O 3.37Å; V29-V179 HydrophobicContact CB-CG1 4.21Å; V29-V179 HydrophobicContact CG1-CG1 4.28Å | ||
| 30 | S | 94.7 | Very high | 79.1 | Confident | 81 Ų | 81 | 98.5 Ų | 98.5 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | trans | -143.8 | 137.7 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 31 | H | 97.6 | Very high | 82.1 | Confident | 29 Ų | 29 | 89.5 Ų | 89.5 | 13% | 0.134 | 45% | 0.451 | C | S | . | . | trans | -138.4 | 154.9 | 175.1 | -170.9 | -106.5 | 0 | 0 | 0 | 109.9 | S33 H34 V179 T242 D243 | H31-S33 WeakPolarHBondContact ND1-CB 3.47Å; H31-S33 PolarHBondContact ND1-N 2.51Å; H31-S33 PolarHBondContact ND1-OG 3.07Å; H31-S33 PolarHBondContact O-N 2.95Å; H31-S33 VanDerWaalsContact O-N 3.12Å; H31-H34 PolarHBondContact N-CE1 2.84Å; H31-H34 VanDerWaalsContact N-CE1 3.32Å; H31-H34 PolarHBondContact N-ND1 3.3Å; H31-H34 VanDerWaalsContact N-ND1 3.11Å; H31-H34 WeakPolarHBondContact O-CB 3.48Å; H31-H34 PolarHBondContact O-N 3.47Å; H31-V179 HydrophobicContact CB-CB 4.35Å; H31-V179 VanDerWaalsContact CB-O 3.3Å; H31-V179 WeakPolarHBondContact CB-O 3.21Å; H31-T242 PolarHBondContact NE2-O 3.21Å; H31-D243 IonicContact CE1-OD1 3.56Å | ||
| 32 | R | 95.7 | Very high | 85.1 | Confident | 164 Ų | 164 | 81.1 Ų | 81.1 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.1 | 178.9 | 63.9 | 172.1 | 177.7 | -127.7 | 8 | 113.6 | H34 D243 | R32-H34 VanDerWaalsContact C-N 3.3Å; R32-D243 IonicContact CZ-OD2 2.74Å; R32-D243 IonicContact NE-OD2 3.76Å; R32-D243 PolarHBondContact NE-OD2 3.36Å; R32-D243 IonicContact NH2-OD2 3.88Å; R32-D243 PolarHBondContact NH2-OD2 3.2Å |
| 33 | S | 95.8 | Very high | 87.7 | Confident | 28 Ų | 28 | 77 Ų | 77 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3 | 178 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | H31 C35 | H31-S33 WeakPolarHBondContact ND1-CB 3.47Å; H31-S33 PolarHBondContact ND1-N 2.51Å; H31-S33 PolarHBondContact ND1-OG 3.07Å; H31-S33 PolarHBondContact O-N 2.95Å; H31-S33 VanDerWaalsContact O-N 3.12Å; S33-C35 PolarHBondContact O-N 3.02Å |
| 34 | H | 97.2 | Very high | 90.3 | Very high | 21 Ų | 21 | 67.6 Ų | 67.6 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -80.6 | 106.7 | 175.5 | -59.3 | 164.6 | 0 | 0 | 0 | 108.8 | H31 R32 V179 | H31-H34 PolarHBondContact N-CE1 2.84Å; H31-H34 VanDerWaalsContact N-CE1 3.32Å; H31-H34 PolarHBondContact N-ND1 3.3Å; H31-H34 VanDerWaalsContact N-ND1 3.11Å; H31-H34 WeakPolarHBondContact O-CB 3.48Å; H31-H34 PolarHBondContact O-N 3.47Å; R32-H34 VanDerWaalsContact C-N 3.3Å; H34-V179 PolarHBondContact CE1-O 3.38Å; H34-V179 PolarHBondContact NE2-O 2.84Å |
| 35 | C | 91.7 | Very high | 92.6 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | trans | -66.1 | 136.5 | 178.8 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | S33 V74 | S33-C35 PolarHBondContact O-N 3.02Å; C35-V74 WeakPolarHBondContact CB-O 3.5Å | ||
| 36 | K | 91.6 | Very high | 94.4 | Very high | 166 Ų | 166 | 51.9 Ų | 51.9 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | trans | -119.9 | -16 | -179.4 | -61.6 | -178.1 | -177.4 | 178.3 | 0 | 113.2 | ||||
| 37 | E | 96.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 45.5 Ų | 45.5 | 46% | 0.463 | 24% | 0.236 | S | C | . | . | trans | -77.6 | 132.7 | 179.8 | -63.8 | -165.2 | 125.7 | 0 | 0 | 109.8 | V74 L401 | E37-V74 WeakPolarHBondContact O-CA 3.37Å; E37-L401 HydrophobicContact CB-CD1 3.8Å; E37-L401 WeakPolarHBondContact OE2-CD2 3.19Å | ||
| 38 | V | 97.4 | Very high | 96.5 | Very high | 44 Ų | 44 | 47 Ų | 47 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -97.2 | 132.2 | -174.1 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | K72 M73 V74 E88 | V38-K72 HydrophobicContact CG1-CB 3.16Å; V38-K72 HydrophobicContact CG1-CD 3.59Å; V38-K72 HydrophobicContact CG1-CG 4.02Å; V38-M73 CarbonylContact C-O 3.58Å; V38-M73 WeakPolarHBondContact CA-O 3.08Å; V38-V74 HydrophobicContact CG2-CG1 3.82Å; V38-E88 HydrophobicContact CG1-CB 4.39Å; V38-E88 HydrophobicContact CG2-CB 3.9Å | ||
| 39 | G | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -148.1 | -176.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | M73 V414 | G39-M73 PolarHBondContact N-O 2.84Å; G39-M73 PolarHBondContact O-N 2.8Å; G39-V414 CarbonylContact C-O 3.42Å; G39-V414 WeakPolarHBondContact CA-O 3.28Å |
| 40 | Q | 98.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 153.7 | 173.5 | -60.6 | -178.5 | -88.5 | 0 | 0 | 109.9 | L66 L413 V414 | Q40-L66 HydrophobicContact CB-CD1 3.94Å; Q40-L413 WeakPolarHBondContact O-CA 3.11Å; Q40-V414 HydrophobicContact CB-CG2 4.33Å; Q40-V414 PolarHBondContact N-O 2.88Å; Q40-V414 PolarHBondContact O-N 3.28Å |
| 41 | V | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.6 | -178.5 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | V43 L67 L69 M73 V76 L412 L413 | V41-V43 HydrophobicContact CG1-CG1 4.26Å; V41-L67 HydrophobicContact CB-CB 4.24Å; V41-L67 HydrophobicContact CB-CD2 4.23Å; V41-L67 HydrophobicContact CG1-CB 4.28Å; V41-L67 HydrophobicContact CG1-CD2 3.91Å; V41-L67 WeakPolarHBondContact O-CB 3.38Å; V41-L67 PolarHBondContact O-N 3.06Å; V41-L69 HydrophobicContact CB-CD1 3.95Å; V41-L69 HydrophobicContact CG2-CD1 3.65Å; V41-M73 HydrophobicContact CG2-CB 3.98Å; V41-M73 HydrophobicContact CG2-CG 3.69Å; V41-V76 HydrophobicContact CG1-CG2 4.04Å; V41-V76 HydrophobicContact CG2-CB 4.4Å; V41-V76 HydrophobicContact CG2-CG2 4.48Å; V41-L412 CarbonylContact C-O 3.51Å; V41-L412 WeakPolarHBondContact CA-O 3.18Å; V41-L413 HydrophobicContact CG2-CD1 4.26Å |
| 42 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 148.9 | 165.7 | -47.1 | -180 | 0 | 0 | 0 | 109.6 | P64 A65 L66 Q394 L395 A411 L412 V414 | L42-P64 HydrophobicContact CB-CB 4Å; L42-P64 HydrophobicContact CD1-CB 3.79Å; L42-A65 CarbonylContact C-O 3.26Å; L42-A65 WeakPolarHBondContact CA-O 3.35Å; L42-L66 HydrophobicContact CD2-CB 4.07Å; L42-L66 HydrophobicContact CD2-CD1 3.81Å; L42-Q394 HydrophobicContact CD1-CB 3.86Å; L42-Q394 HydrophobicContact CD2-CB 3.93Å; L42-Q394 HydrophobicContact CD2-CG 4.44Å; L42-L395 HydrophobicContact CD1-CD2 3.68Å; L42-L395 HydrophobicContact CD1-CG 4.34Å; L42-A411 CarbonylContact O-C 3.54Å; L42-A411 VanDerWaalsContact O-CA 3.29Å; L42-A411 WeakPolarHBondContact O-CA 3.35Å; L42-L412 HydrophobicContact CB-CB 4.23Å; L42-L412 PolarHBondContact N-O 3.05Å; L42-L412 PolarHBondContact O-N 2.92Å; L42-V414 HydrophobicContact CD1-CB 4.48Å; L42-V414 HydrophobicContact CD1-CG1 3.7Å; L42-V414 HydrophobicContact CD1-CG2 3.97Å; L42-V414 HydrophobicContact CD2-CG2 4.13Å; L42-V414 HydrophobicContact CG-CG1 4.05Å; L42-V414 HydrophobicContact CG-CG2 3.8Å |
| 43 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.3 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | V41 L52 L54 A65 L67 T410 A411 | V41-V43 HydrophobicContact CG1-CG1 4.26Å; V43-L52 HydrophobicContact CB-CD2 4.01Å; V43-L52 HydrophobicContact CG2-CB 4.19Å; V43-L52 HydrophobicContact CG2-CD2 4.28Å; V43-L52 WeakPolarHBondContact CG2-O 3.49Å; V43-L54 HydrophobicContact CG2-CD1 3.81Å; V43-L54 HydrophobicContact CG2-CD2 4.22Å; V43-L54 HydrophobicContact CG2-CG 3.97Å; V43-A65 PolarHBondContact N-O 2.95Å; V43-A65 PolarHBondContact O-N 3.04Å; V43-L67 HydrophobicContact CG1-CD2 4.42Å; V43-T410 CarbonylContact C-O 3.55Å; V43-T410 WeakPolarHBondContact CA-O 3.34Å; V43-A411 HydrophobicContact CG1-CB 4.45Å |
| 44 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 167.9 | 172.3 | 67.4 | 153 | 0 | 0 | 0 | 111.7 | P64 Q375 G377 M390 H409 T410 L412 | L44-P64 HydrophobicContact CD2-CG 4.19Å; L44-Q375 WeakPolarHBondContact CD1-O 3.37Å; L44-G377 VanDerWaalsContact CD1-CA 3.45Å; L44-M390 HydrophobicContact CD1-CE 3.72Å; L44-M390 HydrophobicContact CD2-CE 4.06Å; L44-H409 CarbonylContact O-C 3.1Å; L44-H409 WeakPolarHBondContact O-CA 3.2Å; L44-T410 HydrophobicContact CD2-CG2 4.12Å; L44-T410 PolarHBondContact N-O 2.8Å; L44-T410 PolarHBondContact O-N 2.92Å; L44-L412 HydrophobicContact CD2-CD1 4.41Å; L44-L412 HydrophobicContact CD2-CG 4.44Å |
| 45 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.9 | -152.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E60 R61 N373 | G45-E60 WeakPolarHBondContact O-CA 3.48Å; G45-R61 PolarHBondContact N-O 3.47Å; G45-R61 PolarHBondContact O-N 3.02Å; G45-N373 WeakPolarHBondContact CA-O 3.44Å |
| 46 | Q | 98.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 150 | 176.4 | -58.2 | -61.5 | -26.2 | 0 | 0 | 111.6 | Q51 N373 Q408 H409 | Q46-Q51 WeakPolarHBondContact O-CG 3.45Å; Q46-Q51 PolarHBondContact O-NE2 3.34Å; Q46-Q51 VanDerWaalsContact O-NE2 3.13Å; Q46-N373 HydrophobicContact CG-CB 4.24Å; Q46-Q408 HydrophobicContact CB-CB 3.88Å; Q46-Q408 HydrophobicContact CG-CB 4.19Å; Q46-Q408 PolarHBondContact N-O 3.12Å; Q46-H409 WeakPolarHBondContact O-CB 3.45Å |
| 47 | G | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | trans | -136.6 | 18.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V49 G50 T59 | G47-V49 PolarHBondContact O-N 3.45Å; G47-G50 PolarHBondContact O-N 2.87Å; G47-T59 WeakPolarHBondContact CA-O 3.42Å; G47-T59 PolarHBondContact N-O 3.4Å | ||
| 48 | D | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 31.5 Ų | 31.5 | 52% | 0.524 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.2 | -172 | -59.9 | -43.9 | 0 | 0 | 0 | 115.1 | ||
| 49 | V | 97.8 | Very high | 98 | Very high | 56 Ų | 56 | 33 Ų | 33 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 27.2 | -179.6 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | G47 Q51 M81 G96 C97 | G47-V49 PolarHBondContact O-N 3.45Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 3.01Å; V49-M81 HydrophobicContact CG2-CB 4.05Å; V49-M81 HydrophobicContact CG2-CE 3.51Å; V49-G96 CarbonylContact O-C 3.25Å; V49-G96 VanDerWaalsContact O-CA 3.24Å; V49-G96 WeakPolarHBondContact O-CA 2.98Å; V49-C97 HydrophobicContact CB-CB 4.19Å; V49-C97 HydrophobicContact CG2-CB 3.86Å; V49-C97 PolarHBondContact O-N 2.81Å |
| 50 | G | 98.1 | Very high | 98 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 80 | 7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | G47 L52 G53 | G47-G50 PolarHBondContact O-N 2.87Å; G50-L52 PolarHBondContact O-N 2.77Å; G50-G53 PolarHBondContact O-N 2.77Å |
| 51 | Q | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -8 | -175.2 | 69.1 | -87.4 | 33.1 | 0 | 0 | 114.6 | Q46 V49 M81 T83 F95 H409 | Q46-Q51 WeakPolarHBondContact O-CG 3.45Å; Q46-Q51 PolarHBondContact O-NE2 3.34Å; Q46-Q51 VanDerWaalsContact O-NE2 3.13Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 3.01Å; Q51-M81 WeakPolarHBondContact CB-O 3.49Å; Q51-T83 PolarHBondContact O-OG1 3.39Å; Q51-F95 VanDerWaalsContact O-CE2 3.27Å; Q51-F95 WeakPolarHBondContact O-CE2 3.29Å; Q51-H409 HydrophobicContact CG-CB 3.85Å; Q51-H409 PolarHBondContact O-CD2 3.3Å |
| 52 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -21.8 | 169 | -61.6 | 179.1 | 0 | 0 | 0 | 112.7 | V43 G50 L54 V58 R61 F95 H409 | V43-L52 HydrophobicContact CB-CD2 4.01Å; V43-L52 HydrophobicContact CG2-CB 4.19Å; V43-L52 HydrophobicContact CG2-CD2 4.28Å; V43-L52 WeakPolarHBondContact CG2-O 3.49Å; G50-L52 PolarHBondContact O-N 2.77Å; L52-L54 HydrophobicContact CB-CD1 4.29Å; L52-L54 HydrophobicContact CB-CG 4.18Å; L52-L54 PolarHBondContact O-N 2.91Å; L52-V58 HydrophobicContact CD1-CG1 4.3Å; L52-R61 HydrophobicContact CD1-CB 4.25Å; L52-R61 HydrophobicContact CD1-CG 4.07Å; L52-F95 VanDerWaalsContact C-CE2 3.43Å; L52-H409 HydrophobicContact CD2-CB 4.13Å |
| 53 | G | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | trans | 69.9 | 15.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G50 L67 A114 P116 | G50-G53 PolarHBondContact O-N 2.77Å; G53-L67 WeakPolarHBondContact O-CD1 3.35Å; G53-A114 CarbonylContact C-O 3.56Å; G53-A114 WeakPolarHBondContact CA-O 3.29Å; G53-P116 WeakPolarHBondContact O-CD 3.49Å | ||
| 54 | L | 98.6 | Very high | 97.9 | Very high | 45 Ų | 45 | 47 Ų | 47 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -97.4 | 14.1 | -175.5 | -62 | 178.2 | 0 | 0 | 0 | 113.1 | V43 L52 V58 R61 A65 L67 A114 | V43-L54 HydrophobicContact CG2-CD1 3.81Å; V43-L54 HydrophobicContact CG2-CD2 4.22Å; V43-L54 HydrophobicContact CG2-CG 3.97Å; L52-L54 HydrophobicContact CB-CD1 4.29Å; L52-L54 HydrophobicContact CB-CG 4.18Å; L52-L54 PolarHBondContact O-N 2.91Å; L54-V58 HydrophobicContact CB-CB 3.82Å; L54-V58 HydrophobicContact CB-CG1 3.76Å; L54-V58 HydrophobicContact CB-CG2 4.04Å; L54-V58 HydrophobicContact CD1-CG1 3.82Å; L54-V58 HydrophobicContact CG-CG1 4.43Å; L54-R61 HydrophobicContact CD1-CG 3.72Å; L54-A65 HydrophobicContact CD1-CB 3.9Å; L54-L67 HydrophobicContact CD2-CD1 3.94Å; L54-A114 PolarHBondContact N-O 3.3Å |
| 55 | G | 97.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | trans | 86.6 | 161.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N57 V58 A114 | G55-N57 PolarHBondContact O-N 2.85Å; G55-V58 PolarHBondContact O-N 3.09Å; G55-V58 VanDerWaalsContact O-N 3.15Å; G55-A114 WeakPolarHBondContact CA-O 3.46Å; G55-A114 PolarHBondContact N-O 2.69Å | ||
| 56 | E | 94.6 | Very high | 97.9 | Very high | 102 Ų | 102 | 50.6 Ų | 50.6 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.9 | -172.1 | -56.8 | 174.8 | 128.3 | 0 | 0 | 114 | V58 G111 A114 | E56-V58 PolarHBondContact O-N 3.43Å; E56-G111 WeakPolarHBondContact OE1-CA 3.23Å; E56-G111 PolarHBondContact OE1-N 3.12Å; E56-A114 HydrophobicContact CG-CB 3.82Å |
| 57 | N | 96.2 | Very high | 97.9 | Very high | 161 Ų | 161 | 49.6 Ų | 49.6 | 86% | 0.861 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.2 | -178.3 | -63.4 | -53.4 | 0 | 0 | 0 | 113.3 | G55 | G55-N57 PolarHBondContact O-N 2.85Š|
| 58 | V | 97.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | trans | -112.4 | 92.6 | -177.4 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | L52 L54 G55 E56 R61 | L52-V58 HydrophobicContact CD1-CG1 4.3Å; L54-V58 HydrophobicContact CB-CB 3.82Å; L54-V58 HydrophobicContact CB-CG1 3.76Å; L54-V58 HydrophobicContact CB-CG2 4.04Å; L54-V58 HydrophobicContact CD1-CG1 3.82Å; L54-V58 HydrophobicContact CG-CG1 4.43Å; G55-V58 PolarHBondContact O-N 3.09Å; G55-V58 VanDerWaalsContact O-N 3.15Å; E56-V58 PolarHBondContact O-N 3.43Å; V58-R61 HydrophobicContact CG1-CG 4.18Å | ||
| 59 | T | 96.9 | Very high | 97.8 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 47% | 0.466 | 27% | 0.274 | S | S | . | . | trans | -89.6 | -19.1 | -178.3 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | G47 | G47-T59 WeakPolarHBondContact CA-O 3.42Å; G47-T59 PolarHBondContact N-O 3.4Å | ||
| 60 | E | 97.9 | Very high | 97.8 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.2 | 177 | 66.3 | 169.6 | -135.1 | 0 | 0 | 113.6 | G45 R62 L374 | G45-E60 WeakPolarHBondContact O-CA 3.48Å; E60-R62 IonicContact OE1-CZ 3.59Å; E60-R62 IonicContact OE1-NE 2.75Å; E60-R62 PolarHBondContact OE1-NE 3.09Å; E60-R62 IonicContact OE1-NH2 3.1Å; E60-R62 PolarHBondContact OE1-NH2 2.93Å; E60-R62 IonicContact OE2-NH2 3.38Å; E60-L374 HydrophobicContact CB-CD1 4.45Å |
| 61 | R | 98.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 55 Ų | 55 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 109.6 | 169 | -74.8 | -64.1 | 177.4 | -102.2 | 4.6 | 111 | G45 L52 L54 V58 K63 A65 | G45-R61 PolarHBondContact N-O 3.47Å; G45-R61 PolarHBondContact O-N 3.02Å; L52-R61 HydrophobicContact CD1-CB 4.25Å; L52-R61 HydrophobicContact CD1-CG 4.07Å; L54-R61 HydrophobicContact CD1-CG 3.72Å; V58-R61 HydrophobicContact CG1-CG 4.18Å; R61-K63 VanDerWaalsContact C-N 3.28Å; R61-K63 PolarHBondContact O-N 2.94Å; R61-A65 HydrophobicContact CG-CB 3.98Å |
| 62 | R | 97.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -21.1 | 177.7 | -64 | 177.5 | -175.5 | -92.5 | -13.9 | 114.3 | E60 L374 E381 | E60-R62 IonicContact OE1-CZ 3.59Å; E60-R62 IonicContact OE1-NE 2.75Å; E60-R62 PolarHBondContact OE1-NE 3.09Å; E60-R62 IonicContact OE1-NH2 3.1Å; E60-R62 PolarHBondContact OE1-NH2 2.93Å; E60-R62 IonicContact OE2-NH2 3.38Å; R62-L374 HydrophobicContact CB-CD1 4.45Å; R62-L374 HydrophobicContact CB-CD2 4.41Å; R62-L374 HydrophobicContact CG-CD1 3.5Å; R62-L374 VanDerWaalsContact CG-CD1 3.5Å; R62-L374 HydrophobicContact CG-CD2 3.84Å; R62-L374 HydrophobicContact CG-CG 4.18Å; R62-E381 IonicContact CZ-OE1 3.81Å; R62-E381 IonicContact NH1-OE1 3.98Å; R62-E381 PolarHBondContact NH1-OE1 3.32Å; R62-E381 VanDerWaalsContact NH1-OE1 3.1Å; R62-E381 IonicContact NH2-OE1 2.66Å; R62-E381 PolarHBondContact NH2-OE1 2.88Å |
| 63 | K | 98.2 | Very high | 97.7 | Very high | 104 Ų | 104 | 60.9 Ų | 60.9 | 45% | 0.452 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.5 | 179.4 | -66.4 | -159.6 | 176.4 | -163 | 0 | 110.5 | R61 A65 | R61-K63 VanDerWaalsContact C-N 3.28Å; R61-K63 PolarHBondContact O-N 2.94Å; K63-A65 PolarHBondContact O-N 2.86Å |
| 64 | P | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.065 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 122.7 | 179.4 | -25.2 | 32.4 | 0 | 0 | 0 | 112.4 | L42 L44 M390 Q394 L395 L412 | L42-P64 HydrophobicContact CB-CB 4Å; L42-P64 HydrophobicContact CD1-CB 3.79Å; L44-P64 HydrophobicContact CD2-CG 4.19Å; P64-M390 HydrophobicContact CG-CE 4.28Å; P64-Q394 WeakPolarHBondContact O-CG 3.31Å; P64-L395 HydrophobicContact CG-CD1 3.98Å; P64-L395 HydrophobicContact CG-CG 4.26Å; P64-L412 HydrophobicContact CB-CD1 4.46Å; P64-L412 HydrophobicContact CG-CD1 4.21Å |
| 65 | A | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L42 V43 L54 R61 K63 L67 | L42-A65 CarbonylContact C-O 3.26Å; L42-A65 WeakPolarHBondContact CA-O 3.35Å; V43-A65 PolarHBondContact N-O 2.95Å; V43-A65 PolarHBondContact O-N 3.04Å; L54-A65 HydrophobicContact CD1-CB 3.9Å; R61-A65 HydrophobicContact CG-CB 3.98Å; K63-A65 PolarHBondContact O-N 2.86Å; A65-L67 PolarHBondContact O-N 3.15Å |
| 66 | L | 98.5 | Very high | 97.8 | Very high | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.1 | 178.7 | -179.7 | 65.6 | 0 | 0 | 0 | 110.7 | Q40 L42 | Q40-L66 HydrophobicContact CB-CD1 3.94Å; L42-L66 HydrophobicContact CD2-CB 4.07Å; L42-L66 HydrophobicContact CD2-CD1 3.81Å |
| 67 | L | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 130 | 172.9 | -178.1 | 65.7 | 0 | 0 | 0 | 110.1 | V41 V43 G53 L54 A65 L69 F95 P116 | V41-L67 HydrophobicContact CB-CB 4.24Å; V41-L67 HydrophobicContact CB-CD2 4.23Å; V41-L67 HydrophobicContact CG1-CB 4.28Å; V41-L67 HydrophobicContact CG1-CD2 3.91Å; V41-L67 WeakPolarHBondContact O-CB 3.38Å; V41-L67 PolarHBondContact O-N 3.06Å; V43-L67 HydrophobicContact CG1-CD2 4.42Å; G53-L67 WeakPolarHBondContact O-CD1 3.35Å; L54-L67 HydrophobicContact CD2-CD1 3.94Å; A65-L67 PolarHBondContact O-N 3.15Å; L67-L69 HydrophobicContact CD2-CD1 4.05Å; L67-L69 HydrophobicContact CD2-CG 4.22Å; L67-L69 HydrophobicContact CG-CD1 4.43Å; L67-L69 HydrophobicContact CG-CG 4.27Å; L67-F95 HydrophobicContact CD2-CE1 3.53Å; L67-F95 HydrophobicContact CD2-CE2 4.23Å; L67-F95 HydrophobicContact CD2-CZ 3.3Å; L67-P116 HydrophobicContact CD1-CG 3.77Å; L67-P116 HydrophobicContact CD2-CG 4.01Å; L67-P116 HydrophobicContact CG-CG 4.06Å |
| 68 | S | 97.2 | Very high | 98.1 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 73% | 0.734 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -84.3 | 118.3 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 69 | L | 97.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | trans | -125.4 | 148.8 | 177.6 | -76.4 | 159 | 0 | 0 | 0 | 109.6 | V41 L67 E71 M73 C85 Y93 P116 | V41-L69 HydrophobicContact CB-CD1 3.95Å; V41-L69 HydrophobicContact CG2-CD1 3.65Å; L67-L69 HydrophobicContact CD2-CD1 4.05Å; L67-L69 HydrophobicContact CD2-CG 4.22Å; L67-L69 HydrophobicContact CG-CD1 4.43Å; L67-L69 HydrophobicContact CG-CG 4.27Å; L69-E71 WeakPolarHBondContact CB-O 3.49Å; L69-E71 PolarHBondContact O-N 3.39Å; L69-M73 HydrophobicContact CB-CE 4.1Å; L69-M73 HydrophobicContact CD1-CE 4.15Å; L69-M73 HydrophobicContact CD1-CG 3.59Å; L69-M73 HydrophobicContact CD1-SD 4.16Å; L69-M73 HydrophobicContact CD2-CE 4.44Å; L69-M73 HydrophobicContact CG-CE 4.48Å; L69-C85 HydrophobicContact CD1-CB 4.4Å; L69-Y93 HydrophobicContact CD2-CG 4.21Å; L69-P116 HydrophobicContact CD2-CB 3.47Å; L69-P116 VanDerWaalsContact CD2-CB 3.47Å; L69-P116 HydrophobicContact CD2-CG 3.83Å; L69-P116 HydrophobicContact CG-CG 4.48Å | ||
| 70 | P | 96.9 | Very high | 98.2 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -71.7 | -17.7 | -178.1 | 29.5 | -36.3 | 0 | 0 | 0 | 113.4 | Y93 | P70-Y93 HydrophobicContact CG-CD1 4.19Å; P70-Y93 HydrophobicContact CG-CE1 3.33Å; P70-Y93 HydrophobicContact CG-CE2 4.33Å; P70-Y93 VanDerWaalsContact CG-CZ 3.42Å; P70-Y93 WeakPolarHBondContact CG-OH 3.45Å |
| 71 | E | 97.1 | Very high | 98.2 | Very high | 43 Ų | 43 | 43 Ų | 43 | 20% | 0.201 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -133.4 | 163.7 | 178.9 | -61.5 | -175.1 | -120.6 | 0 | 0 | 109.2 | L69 M73 S87 T89 H91 Y93 | L69-E71 WeakPolarHBondContact CB-O 3.49Å; L69-E71 PolarHBondContact O-N 3.39Å; E71-M73 HydrophobicContact CB-CE 3.85Å; E71-M73 WeakPolarHBondContact O-CE 3.28Å; E71-S87 PolarHBondContact OE2-OG 3.04Å; E71-T89 PolarHBondContact OE1-OG1 2.88Å; E71-T89 WeakPolarHBondContact OE2-CB 3.48Å; E71-T89 WeakPolarHBondContact OE2-CG2 3.46Å; E71-T89 PolarHBondContact OE2-OG1 2.97Å; E71-H91 IonicContact OE1-CE1 2.79Å; E71-H91 IonicContact OE1-CG 3.7Å; E71-H91 IonicContact OE1-ND1 2.68Å; E71-H91 PolarHBondContact OE1-ND1 3.4Å; E71-H91 IonicContact OE2-ND1 3.24Å; E71-Y93 PolarHBondContact OE1-OH 3.19Å |
| 72 | K | 97.3 | Very high | 98.2 | Very high | 123 Ų | 123 | 38.6 Ų | 38.6 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | trans | -80.8 | 152.4 | 168.8 | -62.1 | -174.1 | -179.7 | -177.7 | 0 | 110.5 | V38 S87 E88 | V38-K72 HydrophobicContact CG1-CB 3.16Å; V38-K72 HydrophobicContact CG1-CD 3.59Å; V38-K72 HydrophobicContact CG1-CG 4.02Å; K72-S87 WeakPolarHBondContact O-CA 3.5Å; K72-E88 PolarHBondContact O-N 3.2Å | ||
| 73 | M | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147 | -172.2 | -60.1 | -62.5 | 122.6 | 0 | 0 | 111.4 | V38 G39 V41 L69 E71 C85 L86 Y93 L413 | V38-M73 CarbonylContact C-O 3.58Å; V38-M73 WeakPolarHBondContact CA-O 3.08Å; G39-M73 PolarHBondContact N-O 2.84Å; G39-M73 PolarHBondContact O-N 2.8Å; V41-M73 HydrophobicContact CG2-CB 3.98Å; V41-M73 HydrophobicContact CG2-CG 3.69Å; L69-M73 HydrophobicContact CB-CE 4.1Å; L69-M73 HydrophobicContact CD1-CE 4.15Å; L69-M73 HydrophobicContact CD1-CG 3.59Å; L69-M73 HydrophobicContact CD1-SD 4.16Å; L69-M73 HydrophobicContact CD2-CE 4.44Å; L69-M73 HydrophobicContact CG-CE 4.48Å; E71-M73 HydrophobicContact CB-CE 3.85Å; E71-M73 WeakPolarHBondContact O-CE 3.28Å; M73-C85 HydrophobicContact CG-CB 4Å; M73-C85 HydrophobicContact SD-CB 3.54Å; M73-C85 VanDerWaalsContact SD-CB 3.54Å; M73-L86 CarbonylContact C-O 3.56Å; M73-L86 VanDerWaalsContact CA-O 3.29Å; M73-L86 WeakPolarHBondContact CA-O 3.45Å; M73-Y93 HydrophobicContact CE-CD2 3.96Å; M73-Y93 HydrophobicContact CE-CE2 4.15Å; M73-Y93 HydrophobicContact SD-CD2 4.39Å; M73-L413 HydrophobicContact CB-CD1 3.84Å |
| 74 | V | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -19.1 | 171.1 | -67 | 0 | 0 | 0 | 0 | 112.4 | C35 E37 V38 L86 E88 L413 | C35-V74 WeakPolarHBondContact CB-O 3.5Å; E37-V74 WeakPolarHBondContact O-CA 3.37Å; V38-V74 HydrophobicContact CG2-CG1 3.82Å; V74-L86 HydrophobicContact CG2-CB 4.35Å; V74-L86 HydrophobicContact CG2-CD2 4Å; V74-L86 HydrophobicContact CG2-CG 3.8Å; V74-L86 WeakPolarHBondContact CG2-O 3.25Å; V74-L86 PolarHBondContact N-O 3.24Å; V74-E88 HydrophobicContact CG1-CB 4.02Å; V74-L413 WeakPolarHBondContact O-CD2 3.37Å |
| 75 | Q | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 143.1 | 177.9 | -161.5 | -170.9 | -3.8 | 0 | 0 | 110.2 | V77 L86 V128 | Q75-V77 HydrophobicContact CG-CG2 4.31Å; Q75-L86 HydrophobicContact CB-CB 3.99Å; Q75-L86 HydrophobicContact CB-CD2 4.31Å; Q75-L86 PolarHBondContact N-O 3.38Å; Q75-L86 PolarHBondContact O-N 3.12Å; Q75-V128 HydrophobicContact CG-CG2 4.36Å; Q75-V128 PolarHBondContact NE2-O 2.81Å |
| 76 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.8 | 167.8 | 66 | 0 | 0 | 0 | 0 | 109.9 | V41 T83 V84 Q402 A411 L413 | V41-V76 HydrophobicContact CG1-CG2 4.04Å; V41-V76 HydrophobicContact CG2-CB 4.4Å; V41-V76 HydrophobicContact CG2-CG2 4.48Å; V76-T83 HydrophobicContact CG2-CG2 3.8Å; V76-V84 WeakPolarHBondContact CA-O 3.28Å; V76-Q402 VanDerWaalsContact N-OE1 3.11Å; V76-Q402 VanDerWaalsContact O-CD 3.32Å; V76-Q402 PolarHBondContact O-NE2 3.03Å; V76-Q402 PolarHBondContact O-OE1 3.03Å; V76-A411 HydrophobicContact CG1-CB 4.29Å; V76-A411 HydrophobicContact CG2-CB 3.54Å; V76-L413 HydrophobicContact CG1-CB 3.96Å |
| 77 | V | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.8 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 109 | Q75 V84 V128 A130 S404 | Q75-V77 HydrophobicContact CG-CG2 4.31Å; V77-V84 PolarHBondContact N-O 3.06Å; V77-V84 PolarHBondContact O-N 3.11Å; V77-V128 HydrophobicContact CG2-CG2 3.9Å; V77-A130 HydrophobicContact CG1-CB 3.92Å; V77-S404 WeakPolarHBondContact CA-OG 3.39Å |
| 78 | A | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 115.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S404 H409 | A78-S404 PolarHBondContact N-OG 2.68Å; A78-H409 WeakPolarHBondContact CB-NE2 3.28Å |
| 79 | G | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | trans | -77 | -167.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H82 G131 G406 H409 | G79-H82 WeakPolarHBondContact CA-O 3.35Å; G79-H82 PolarHBondContact N-O 2.84Å; G79-G131 CarbonylContact C-O 3.48Å; G79-G131 WeakPolarHBondContact CA-O 3.28Å; G79-G406 WeakPolarHBondContact O-CA 3.28Å; G79-H409 PolarHBondContact O-CE1 2.96Å | ||
| 80 | G | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -56.9 | -58.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G131 D132 G407 | G80-G131 PolarHBondContact N-O 2.86Å; G80-D132 WeakPolarHBondContact CA-OD1 3.47Å; G80-G407 PolarHBondContact O-N 3.12Å |
| 81 | M | 98.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 24.9 Ų | 24.9 | 27% | 0.266 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -129.9 | 22.6 | -175.9 | -59.8 | -58.2 | -64.6 | 0 | 0 | 113.2 | V49 Q51 C97 Q408 | V49-M81 HydrophobicContact CG2-CB 4.05Å; V49-M81 HydrophobicContact CG2-CE 3.51Å; Q51-M81 WeakPolarHBondContact CB-O 3.49Å; M81-C97 HydrophobicContact CB-CB 3.96Å; M81-C97 PolarHBondContact O-N 3.33Å; M81-Q408 HydrophobicContact SD-CG 4.44Å |
| 82 | H | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 162.3 | 177 | 70.5 | -77.5 | 0 | 0 | 0 | 110.9 | G79 F95 L103 G131 T135 | G79-H82 WeakPolarHBondContact CA-O 3.35Å; G79-H82 PolarHBondContact N-O 2.84Å; H82-F95 CarbonylContact C-O 3.52Å; H82-F95 WeakPolarHBondContact CA-O 3.49Å; H82-F95 WeakPolarHBondContact CB-O 3.35Å; H82-L103 HydrophobicContact CB-CD2 3.7Å; H82-G131 PolarHBondContact CE1-O 2.92Å; H82-G131 VanDerWaalsContact CE1-O 3.23Å; H82-T135 PolarHBondContact NE2-OG1 3.33Å |
| 83 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 144.1 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | Q51 V76 T94 F95 H409 A411 | Q51-T83 PolarHBondContact O-OG1 3.39Å; V76-T83 HydrophobicContact CG2-CG2 3.8Å; T83-T94 WeakPolarHBondContact O-CA 3.48Å; T83-F95 HydrophobicContact CG2-CE1 3.9Å; T83-F95 HydrophobicContact CG2-CE2 3.93Å; T83-F95 HydrophobicContact CG2-CZ 3.38Å; T83-F95 PolarHBondContact N-O 3.14Å; T83-F95 PolarHBondContact O-N 3.33Å; T83-H409 PolarHBondContact OG1-CD2 3.32Å; T83-H409 PolarHBondContact OG1-NE2 3.2Å; T83-A411 HydrophobicContact CG2-CB 4.33Å |
| 84 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.7 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | V76 V77 V92 Y93 T94 V128 A130 T135 | V76-V84 WeakPolarHBondContact CA-O 3.28Å; V77-V84 PolarHBondContact N-O 3.06Å; V77-V84 PolarHBondContact O-N 3.11Å; V84-V92 HydrophobicContact CG1-CG1 3.6Å; V84-Y93 WeakPolarHBondContact CA-O 3.39Å; V84-T94 HydrophobicContact CB-CG2 4.45Å; V84-T94 HydrophobicContact CG1-CG2 4.09Å; V84-T94 HydrophobicContact CG2-CG2 4.16Å; V84-V128 HydrophobicContact CG1-CB 3.96Å; V84-V128 HydrophobicContact CG1-CG1 4.04Å; V84-V128 HydrophobicContact CG1-CG2 4.06Å; V84-A130 HydrophobicContact CG2-CB 3.92Å; V84-T135 HydrophobicContact CG1-CG2 4.01Å; V84-T135 HydrophobicContact CG2-CG2 3.72Å |
| 85 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.8 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | L69 M73 V92 Y93 | L69-C85 HydrophobicContact CD1-CB 4.4Å; M73-C85 HydrophobicContact CG-CB 4Å; M73-C85 HydrophobicContact SD-CB 3.54Å; M73-C85 VanDerWaalsContact SD-CB 3.54Å; C85-V92 WeakPolarHBondContact O-CA 3.44Å; C85-Y93 PolarHBondContact N-O 2.78Å; C85-Y93 PolarHBondContact O-N 3.03Å |
| 86 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.5 | 175.7 | 176.3 | 59.8 | 0 | 0 | 0 | 109.8 | M73 V74 Q75 V92 V125 V128 | M73-L86 CarbonylContact C-O 3.56Å; M73-L86 VanDerWaalsContact CA-O 3.29Å; M73-L86 WeakPolarHBondContact CA-O 3.45Å; V74-L86 HydrophobicContact CG2-CB 4.35Å; V74-L86 HydrophobicContact CG2-CD2 4Å; V74-L86 HydrophobicContact CG2-CG 3.8Å; V74-L86 WeakPolarHBondContact CG2-O 3.25Å; V74-L86 PolarHBondContact N-O 3.24Å; Q75-L86 HydrophobicContact CB-CB 3.99Å; Q75-L86 HydrophobicContact CB-CD2 4.31Å; Q75-L86 PolarHBondContact N-O 3.38Å; Q75-L86 PolarHBondContact O-N 3.12Å; L86-V92 HydrophobicContact CD1-CG2 4.21Å; L86-V125 HydrophobicContact CD1-CB 3.67Å; L86-V125 HydrophobicContact CD1-CG1 3.62Å; L86-V125 HydrophobicContact CD2-CG1 4.23Å; L86-V128 HydrophobicContact CB-CG1 4.22Å; L86-V128 HydrophobicContact CB-CG2 4.12Å |
| 87 | S | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 161.2 | 179.3 | 79.4 | 0 | 0 | 0 | 0 | 112.8 | E71 K72 T89 G90 H91 | E71-S87 PolarHBondContact OE2-OG 3.04Å; K72-S87 WeakPolarHBondContact O-CA 3.5Å; S87-T89 PolarHBondContact O-N 2.8Å; S87-T89 PolarHBondContact OG-N 3.33Å; S87-T89 PolarHBondContact OG-OG1 3.11Å; S87-G90 PolarHBondContact O-N 3.19Å; S87-G90 PolarHBondContact OG-N 2.74Å; S87-H91 PolarHBondContact N-O 2.85Å; S87-H91 WeakPolarHBondContact OG-CB 3.3Å; S87-H91 PolarHBondContact OG-N 3.39Å; S87-H91 PolarHBondContact OG-O 3Å |
| 88 | E | 97.1 | Very high | 98.5 | Very high | 102 Ų | 102 | 18.3 Ų | 18.3 | 48% | 0.477 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.3 | 173.8 | 68.6 | -174.9 | 139.6 | 0 | 0 | 114 | V38 K72 V74 | V38-E88 HydrophobicContact CG1-CB 4.39Å; V38-E88 HydrophobicContact CG2-CB 3.9Å; K72-E88 PolarHBondContact O-N 3.2Å; V74-E88 HydrophobicContact CG1-CB 4.02Å |
| 89 | T | 97.1 | Very high | 98.4 | Very high | 68 Ų | 68 | 24.7 Ų | 24.7 | 42% | 0.417 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.1 | 176.4 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | E71 S87 H91 | E71-T89 PolarHBondContact OE1-OG1 2.88Å; E71-T89 WeakPolarHBondContact OE2-CB 3.48Å; E71-T89 WeakPolarHBondContact OE2-CG2 3.46Å; E71-T89 PolarHBondContact OE2-OG1 2.97Å; S87-T89 PolarHBondContact O-N 2.8Å; S87-T89 PolarHBondContact OG-N 3.33Å; S87-T89 PolarHBondContact OG-OG1 3.11Å; T89-H91 PolarHBondContact OG1-ND1 3.26Å; T89-H91 VanDerWaalsContact OG1-ND1 3.07Å |
| 90 | G | 97.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 90.8 | 15.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S87 V125 | S87-G90 PolarHBondContact O-N 3.19Å; S87-G90 PolarHBondContact OG-N 2.74Å; G90-V125 WeakPolarHBondContact CA-O 3.4Å; G90-V125 WeakPolarHBondContact O-CB 3.39Å; G90-V125 PolarHBondContact O-N 3.03Å |
| 91 | H | 98.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 25.8 Ų | 25.8 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | trans | -83.1 | 149.2 | 170.2 | -61.2 | 137.1 | 0 | 0 | 0 | 111.3 | E71 S87 T89 Y93 K118 | E71-H91 IonicContact OE1-CE1 2.79Å; E71-H91 IonicContact OE1-CG 3.7Å; E71-H91 IonicContact OE1-ND1 2.68Å; E71-H91 PolarHBondContact OE1-ND1 3.4Å; E71-H91 IonicContact OE2-ND1 3.24Å; S87-H91 PolarHBondContact N-O 2.85Å; S87-H91 WeakPolarHBondContact OG-CB 3.3Å; S87-H91 PolarHBondContact OG-N 3.39Å; S87-H91 PolarHBondContact OG-O 3Å; T89-H91 PolarHBondContact OG1-ND1 3.26Å; T89-H91 VanDerWaalsContact OG1-ND1 3.07Å; H91-Y93 HydrophobicContact CB-CE2 3.87Å; H91-K118 WeakPolarHBondContact CD2-CE 3.46Å; H91-K118 PolarHBondContact CD2-NZ 2.82Å; H91-K118 PolarHBondContact CE1-NZ 3.43Å; H91-K118 VanDerWaalsContact CG-CE 3.44Å; H91-K118 VanDerWaalsContact CG-NZ 3.35Å; H91-K118 PolarHBondContact ND1-NZ 3.29Å; H91-K118 PolarHBondContact NE2-NZ 3.45Å | ||
| 92 | V | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.6 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | V84 C85 L86 T94 V119 V125 V128 | V84-V92 HydrophobicContact CG1-CG1 3.6Å; C85-V92 WeakPolarHBondContact O-CA 3.44Å; L86-V92 HydrophobicContact CD1-CG2 4.21Å; V92-T94 HydrophobicContact CG1-CG2 4.1Å; V92-V119 HydrophobicContact CB-CB 4.19Å; V92-V119 HydrophobicContact CB-CG2 4.28Å; V92-V119 HydrophobicContact CG1-CB 4.41Å; V92-V119 HydrophobicContact CG1-CG2 3.98Å; V92-V119 PolarHBondContact O-N 2.88Å; V92-V125 HydrophobicContact CG2-CB 4.05Å; V92-V125 HydrophobicContact CG2-CG1 4Å; V92-V125 HydrophobicContact CG2-CG2 3.83Å; V92-V128 HydrophobicContact CG1-CG1 4.38Å; V92-V128 HydrophobicContact CG2-CG1 3.93Å |
| 93 | Y | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 23.4 Ų | 23.4 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.1 | 174.8 | -66.1 | -92.5 | 0 | 0 | 0 | 109.8 | L69 P70 E71 M73 V84 C85 H91 G117 K118 | L69-Y93 HydrophobicContact CD2-CG 4.21Å; P70-Y93 HydrophobicContact CG-CD1 4.19Å; P70-Y93 HydrophobicContact CG-CE1 3.33Å; P70-Y93 HydrophobicContact CG-CE2 4.33Å; P70-Y93 VanDerWaalsContact CG-CZ 3.42Å; P70-Y93 WeakPolarHBondContact CG-OH 3.45Å; E71-Y93 PolarHBondContact OE1-OH 3.19Å; M73-Y93 HydrophobicContact CE-CD2 3.96Å; M73-Y93 HydrophobicContact CE-CE2 4.15Å; M73-Y93 HydrophobicContact SD-CD2 4.39Å; V84-Y93 WeakPolarHBondContact CA-O 3.39Å; C85-Y93 PolarHBondContact N-O 2.78Å; C85-Y93 PolarHBondContact O-N 3.03Å; H91-Y93 HydrophobicContact CB-CE2 3.87Å; Y93-G117 CarbonylContact C-O 3.55Å; Y93-G117 VanDerWaalsContact CA-O 3.3Å; Y93-G117 WeakPolarHBondContact CA-O 3.41Å; Y93-K118 HydrophobicContact CD1-CB 4.06Å; Y93-K118 HydrophobicContact CE1-CB 3.7Å; Y93-K118 HydrophobicContact CE1-CG 4.14Å |
| 94 | T | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.1 | -174.9 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | T83 V84 V92 L103 R105 G117 V119 | T83-T94 WeakPolarHBondContact O-CA 3.48Å; V84-T94 HydrophobicContact CB-CG2 4.45Å; V84-T94 HydrophobicContact CG1-CG2 4.09Å; V84-T94 HydrophobicContact CG2-CG2 4.16Å; V92-T94 HydrophobicContact CG1-CG2 4.1Å; T94-L103 WeakPolarHBondContact CB-O 2.99Å; T94-L103 WeakPolarHBondContact CG2-O 3.46Å; T94-L103 PolarHBondContact OG1-O 2.83Å; T94-R105 PolarHBondContact O-NE 2.89Å; T94-R105 PolarHBondContact O-NH2 3.35Å; T94-R105 PolarHBondContact OG1-NE 2.87Å; T94-G117 PolarHBondContact N-O 3.38Å; T94-G117 PolarHBondContact O-N 3.11Å; T94-V119 HydrophobicContact CG2-CG2 3.61Å; T94-V119 WeakPolarHBondContact OG1-CG2 3.37Å |
| 95 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 155.4 | 176.1 | 51.8 | -86.2 | 0 | 0 | 0 | 110.9 | Q51 L52 L67 H82 T83 E113 P116 | Q51-F95 VanDerWaalsContact O-CE2 3.27Å; Q51-F95 WeakPolarHBondContact O-CE2 3.29Å; L52-F95 VanDerWaalsContact C-CE2 3.43Å; L67-F95 HydrophobicContact CD2-CE1 3.53Å; L67-F95 HydrophobicContact CD2-CE2 4.23Å; L67-F95 HydrophobicContact CD2-CZ 3.3Å; H82-F95 CarbonylContact C-O 3.52Å; H82-F95 WeakPolarHBondContact CA-O 3.49Å; H82-F95 WeakPolarHBondContact CB-O 3.35Å; T83-F95 HydrophobicContact CG2-CE1 3.9Å; T83-F95 HydrophobicContact CG2-CE2 3.93Å; T83-F95 HydrophobicContact CG2-CZ 3.38Å; T83-F95 PolarHBondContact N-O 3.14Å; T83-F95 PolarHBondContact O-N 3.33Å; F95-E113 CarbonylContact C-O 3.09Å; F95-E113 VanDerWaalsContact CA-O 3.32Å; F95-E113 WeakPolarHBondContact CA-O 2.98Å; F95-E113 WeakPolarHBondContact CB-O 3.46Å; F95-P116 HydrophobicContact CD1-CB 3.86Å; F95-P116 HydrophobicContact CD1-CG 3.74Å; F95-P116 HydrophobicContact CE1-CB 4.32Å; F95-P116 HydrophobicContact CE1-CG 3.99Å; F95-P116 HydrophobicContact CG-CG 4.38Å |
| 96 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.3 | -157.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V49 N98 L103 E113 | V49-G96 CarbonylContact O-C 3.25Å; V49-G96 VanDerWaalsContact O-CA 3.24Å; V49-G96 WeakPolarHBondContact O-CA 2.98Å; G96-N98 PolarHBondContact O-N 3.43Å; G96-L103 WeakPolarHBondContact O-CD1 3.18Å; G96-E113 PolarHBondContact N-O 3.01Å; G96-E113 WeakPolarHBondContact O-CB 3.45Å |
| 97 | C | 98.5 | Very high | 98.3 | Very high | 31 Ų | 31 | 32.2 Ų | 32.2 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | trans | -62.7 | 130.8 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | V49 M81 | V49-C97 HydrophobicContact CB-CB 4.19Å; V49-C97 HydrophobicContact CG2-CB 3.86Å; V49-C97 PolarHBondContact O-N 2.81Å; M81-C97 HydrophobicContact CB-CB 3.96Å; M81-C97 PolarHBondContact O-N 3.33Å | ||
| 98 | N | 98.4 | Very high | 98.2 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | trans | -120.6 | 13.5 | 178.5 | -155.5 | 28.8 | 0 | 0 | 0 | 114.5 | G96 E100 G101 A102 L103 R105 T107 | G96-N98 PolarHBondContact O-N 3.43Å; N98-E100 PolarHBondContact O-N 2.82Å; N98-G101 PolarHBondContact O-N 3Å; N98-G101 WeakPolarHBondContact OD1-CA 3.43Å; N98-A102 PolarHBondContact OD1-N 3.39Å; N98-L103 HydrophobicContact CB-CB 4.36Å; N98-L103 HydrophobicContact CB-CD1 3.79Å; N98-L103 HydrophobicContact CB-CG 3.72Å; N98-L103 VanDerWaalsContact OD1-CB 3.29Å; N98-L103 WeakPolarHBondContact OD1-CB 3.4Å; N98-L103 WeakPolarHBondContact OD1-CG 3.34Å; N98-L103 PolarHBondContact OD1-N 2.86Å; N98-R105 PolarHBondContact ND2-O 2.92Å; N98-T107 HydrophobicContact CB-CG2 4.17Å; N98-T107 VanDerWaalsContact ND2-CG2 3.32Å; N98-T107 WeakPolarHBondContact ND2-CG2 3.49Å; N98-T107 PolarHBondContact ND2-OG1 2.73Å | ||
| 99 | D | 97.6 | Very high | 98.2 | Very high | 142 Ų | 142 | 39.5 Ų | 39.5 | 76% | 0.759 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.6 | -176.5 | -64.2 | -9.6 | 0 | 0 | 0 | 113.1 | ||
| 100 | E | 97.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 0.9 | 178.9 | -65.9 | -62.1 | 149 | 0 | 0 | 113.7 | N98 G148 S149 R151 V156 T165 | N98-E100 PolarHBondContact O-N 2.82Å; E100-G148 CarbonylContact O-C 3.56Å; E100-G148 WeakPolarHBondContact O-CA 3.38Å; E100-S149 WeakPolarHBondContact OE2-CB 3.39Å; E100-S149 PolarHBondContact OE2-OG 3.23Å; E100-R151 IonicContact OE1-CZ 3.45Å; E100-R151 IonicContact OE1-NH1 2.65Å; E100-R151 IonicContact OE1-NH2 2.82Å; E100-R151 PolarHBondContact OE1-NH2 2.83Å; E100-V156 WeakPolarHBondContact OE1-CG2 3.49Å; E100-V156 VanDerWaalsContact OE2-CG2 3.3Å; E100-V156 WeakPolarHBondContact OE2-CG2 3.37Å; E100-T165 VanDerWaalsContact OE2-CG2 3.28Å; E100-T165 WeakPolarHBondContact OE2-CG2 3.33Å |
| 101 | G | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 81 | 19.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N98 L103 G104 G148 | N98-G101 PolarHBondContact O-N 3Å; N98-G101 WeakPolarHBondContact OD1-CA 3.43Å; G101-L103 PolarHBondContact O-N 2.87Å; G101-G104 PolarHBondContact O-N 3.45Å; G101-G104 VanDerWaalsContact O-N 3.12Å; G101-G148 PolarHBondContact O-N 2.86Å |
| 102 | A | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N98 G104 T135 | N98-A102 PolarHBondContact OD1-N 3.39Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-T135 VanDerWaalsContact O-CB 3.29Å; A102-T135 WeakPolarHBondContact O-CB 3.35Å; A102-T135 PolarHBondContact O-OG1 2.82Å |
| 103 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -16.8 | 179.1 | -54.4 | -167.1 | 0 | 0 | 0 | 113.3 | H82 T94 G96 N98 G101 R105 T107 E113 V119 | H82-L103 HydrophobicContact CB-CD2 3.7Å; T94-L103 WeakPolarHBondContact CB-O 2.99Å; T94-L103 WeakPolarHBondContact CG2-O 3.46Å; T94-L103 PolarHBondContact OG1-O 2.83Å; G96-L103 WeakPolarHBondContact O-CD1 3.18Å; N98-L103 HydrophobicContact CB-CB 4.36Å; N98-L103 HydrophobicContact CB-CD1 3.79Å; N98-L103 HydrophobicContact CB-CG 3.72Å; N98-L103 VanDerWaalsContact OD1-CB 3.29Å; N98-L103 WeakPolarHBondContact OD1-CB 3.4Å; N98-L103 WeakPolarHBondContact OD1-CG 3.34Å; N98-L103 PolarHBondContact OD1-N 2.86Å; G101-L103 PolarHBondContact O-N 2.87Å; L103-R105 HydrophobicContact CB-CG 4.02Å; L103-R105 PolarHBondContact O-N 2.61Å; L103-T107 HydrophobicContact CD1-CG2 3.87Å; L103-E113 HydrophobicContact CD1-CB 4.02Å; L103-V119 VanDerWaalsContact O-CG2 3.31Å; L103-V119 WeakPolarHBondContact O-CG2 3.09Å |
| 104 | G | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | 66.5 | 19.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G101 A102 C147 P167 P169 | G101-G104 PolarHBondContact O-N 3.45Å; G101-G104 VanDerWaalsContact O-N 3.12Å; A102-G104 VanDerWaalsContact C-N 3.34Å; G104-C147 WeakPolarHBondContact CA-SG 3.32Å; G104-P167 CarbonylContact C-O 3.55Å; G104-P167 VanDerWaalsContact C-O 3.26Å; G104-P167 WeakPolarHBondContact CA-O 3.39Å; G104-P169 WeakPolarHBondContact O-CD 3.34Å | ||
| 105 | R | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -145.1 | 163.1 | -178 | 64.2 | 178.9 | 178.7 | 85.8 | -7.3 | 110.5 | T94 N98 L103 S112 V115 P167 | T94-R105 PolarHBondContact O-NE 2.89Å; T94-R105 PolarHBondContact O-NH2 3.35Å; T94-R105 PolarHBondContact OG1-NE 2.87Å; N98-R105 PolarHBondContact ND2-O 2.92Å; L103-R105 HydrophobicContact CB-CG 4.02Å; L103-R105 PolarHBondContact O-N 2.61Å; R105-S112 VanDerWaalsContact CZ-O 3.32Å; R105-S112 PolarHBondContact NH1-O 3.2Å; R105-S112 PolarHBondContact NH2-O 3.18Å; R105-V115 PolarHBondContact NH2-O 3.02Å; R105-P167 PolarHBondContact N-O 2.87Å |
| 106 | D | 97.9 | Very high | 97.9 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 65% | 0.652 | 27% | 0.269 | S | S | * | . | trans | -67.7 | 134 | 173.2 | -169.2 | 7.3 | 0 | 0 | 0 | 110.4 | S108 | D106-S108 VanDerWaalsContact OD1-CB 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.37Å; D106-S108 PolarHBondContact OD1-N 2.54Å; D106-S108 PolarHBondContact OD1-OG 2.94Å | ||
| 107 | T | 97.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 50 Ų | 50 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | trans | -132.4 | 29.9 | 173.9 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | N98 L103 E109 S112 E113 | N98-T107 HydrophobicContact CB-CG2 4.17Å; N98-T107 VanDerWaalsContact ND2-CG2 3.32Å; N98-T107 WeakPolarHBondContact ND2-CG2 3.49Å; N98-T107 PolarHBondContact ND2-OG1 2.73Å; L103-T107 HydrophobicContact CD1-CG2 3.87Å; T107-E109 PolarHBondContact O-N 3.26Å; T107-S112 WeakPolarHBondContact CA-OG 3.34Å; T107-E113 HydrophobicContact CG2-CB 3.79Å | ||
| 108 | S | 96.8 | Very high | 97.9 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | trans | -68.2 | -23.1 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | D106 | D106-S108 VanDerWaalsContact OD1-CB 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.37Å; D106-S108 PolarHBondContact OD1-N 2.54Å; D106-S108 PolarHBondContact OD1-OG 2.94Å | ||
| 109 | E | 97.1 | Very high | 97.9 | Very high | 152 Ų | 152 | 52.6 Ų | 52.6 | 71% | 0.71 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -76.5 | 125.5 | 169.9 | -177.9 | 177.3 | -170 | 0 | 0 | 109.4 | T107 G111 S112 | T107-E109 PolarHBondContact O-N 3.26Å; E109-G111 PolarHBondContact O-N 2.98Å; E109-S112 WeakPolarHBondContact O-CB 3.23Å; E109-S112 PolarHBondContact O-N 2.82Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-S112 PolarHBondContact O-OG 2.92Å |
| 110 | E | 95.6 | Very high | 97.9 | Very high | 179 Ų | 179 | 51.5 Ų | 51.5 | 84% | 0.836 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 129.2 | 179.7 | -169.2 | 172.6 | -171.5 | 0 | 0 | 110.8 | S112 | E110-S112 PolarHBondContact O-N 3.24Š|
| 111 | G | 96.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -5.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E56 E109 E113 A114 | E56-G111 WeakPolarHBondContact OE1-CA 3.23Å; E56-G111 PolarHBondContact OE1-N 3.12Å; E109-G111 PolarHBondContact O-N 2.98Å; G111-E113 VanDerWaalsContact C-OE2 3.31Å; G111-E113 WeakPolarHBondContact CA-OE2 3.41Å; G111-E113 PolarHBondContact N-OE2 2.61Å; G111-E113 PolarHBondContact O-N 2.91Å; G111-A114 PolarHBondContact O-N 2.87Å; G111-A114 VanDerWaalsContact O-N 3.09Å |
| 112 | S | 97.9 | Very high | 97.6 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | R105 T107 E109 E110 | R105-S112 VanDerWaalsContact CZ-O 3.32Å; R105-S112 PolarHBondContact NH1-O 3.2Å; R105-S112 PolarHBondContact NH2-O 3.18Å; T107-S112 WeakPolarHBondContact CA-OG 3.34Å; E109-S112 WeakPolarHBondContact O-CB 3.23Å; E109-S112 PolarHBondContact O-N 2.82Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-S112 PolarHBondContact O-OG 2.92Å; E110-S112 PolarHBondContact O-N 3.24Å |
| 113 | E | 98.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -27.4 | 173.4 | 80.8 | -77.4 | -168.9 | 0 | 0 | 112.7 | F95 G96 L103 T107 G111 V115 | F95-E113 CarbonylContact C-O 3.09Å; F95-E113 VanDerWaalsContact CA-O 3.32Å; F95-E113 WeakPolarHBondContact CA-O 2.98Å; F95-E113 WeakPolarHBondContact CB-O 3.46Å; G96-E113 PolarHBondContact N-O 3.01Å; G96-E113 WeakPolarHBondContact O-CB 3.45Å; L103-E113 HydrophobicContact CD1-CB 4.02Å; T107-E113 HydrophobicContact CG2-CB 3.79Å; G111-E113 VanDerWaalsContact C-OE2 3.31Å; G111-E113 WeakPolarHBondContact CA-OE2 3.41Å; G111-E113 PolarHBondContact N-OE2 2.61Å; G111-E113 PolarHBondContact O-N 2.91Å; E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.47Å |
| 114 | A | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -83.5 | 3.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G53 L54 G55 E56 G111 | G53-A114 CarbonylContact C-O 3.56Å; G53-A114 WeakPolarHBondContact CA-O 3.29Å; L54-A114 PolarHBondContact N-O 3.3Å; G55-A114 WeakPolarHBondContact CA-O 3.46Å; G55-A114 PolarHBondContact N-O 2.69Å; E56-A114 HydrophobicContact CG-CB 3.82Å; G111-A114 PolarHBondContact O-N 2.87Å; G111-A114 VanDerWaalsContact O-N 3.09Å |
| 115 | V | 98.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 67 Ų | 67 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -131.9 | 152.1 | 174.3 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | R105 E113 G117 | R105-V115 PolarHBondContact NH2-O 3.02Å; E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.47Å; V115-G117 PolarHBondContact O-N 3.02Å; V115-G117 VanDerWaalsContact O-N 3.14Å |
| 116 | P | 98.7 | Very high | 97.4 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | trans | -61.4 | 117.9 | 179.1 | -23.3 | 33.6 | 0 | 0 | 0 | 112.3 | G53 L67 L69 F95 | G53-P116 WeakPolarHBondContact O-CD 3.49Å; L67-P116 HydrophobicContact CD1-CG 3.77Å; L67-P116 HydrophobicContact CD2-CG 4.01Å; L67-P116 HydrophobicContact CG-CG 4.06Å; L69-P116 HydrophobicContact CD2-CB 3.47Å; L69-P116 VanDerWaalsContact CD2-CB 3.47Å; L69-P116 HydrophobicContact CD2-CG 3.83Å; L69-P116 HydrophobicContact CG-CG 4.48Å; F95-P116 HydrophobicContact CD1-CB 3.86Å; F95-P116 HydrophobicContact CD1-CG 3.74Å; F95-P116 HydrophobicContact CE1-CB 4.32Å; F95-P116 HydrophobicContact CE1-CG 3.99Å; F95-P116 HydrophobicContact CG-CG 4.38Å | ||
| 117 | G | 98.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 62 Ų | 62 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y93 T94 V115 | Y93-G117 CarbonylContact C-O 3.55Å; Y93-G117 VanDerWaalsContact CA-O 3.3Å; Y93-G117 WeakPolarHBondContact CA-O 3.41Å; T94-G117 PolarHBondContact N-O 3.38Å; T94-G117 PolarHBondContact O-N 3.11Å; V115-G117 PolarHBondContact O-N 3.02Å; V115-G117 VanDerWaalsContact O-N 3.14Å |
| 118 | K | 98.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.1 | 179.1 | -172.9 | 174.8 | 178.2 | 170.1 | 0 | 110.8 | H91 Y93 | H91-K118 WeakPolarHBondContact CD2-CE 3.46Å; H91-K118 PolarHBondContact CD2-NZ 2.82Å; H91-K118 PolarHBondContact CE1-NZ 3.43Å; H91-K118 VanDerWaalsContact CG-CE 3.44Å; H91-K118 VanDerWaalsContact CG-NZ 3.35Å; H91-K118 PolarHBondContact ND1-NZ 3.29Å; H91-K118 PolarHBondContact NE2-NZ 3.45Å; Y93-K118 HydrophobicContact CD1-CB 4.06Å; Y93-K118 HydrophobicContact CE1-CB 3.7Å; Y93-K118 HydrophobicContact CE1-CG 4.14Å |
| 119 | V | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | trans | -77.3 | 132.7 | 171.7 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | V92 T94 L103 L121 P169 | V92-V119 HydrophobicContact CB-CB 4.19Å; V92-V119 HydrophobicContact CB-CG2 4.28Å; V92-V119 HydrophobicContact CG1-CB 4.41Å; V92-V119 HydrophobicContact CG1-CG2 3.98Å; V92-V119 PolarHBondContact O-N 2.88Å; T94-V119 HydrophobicContact CG2-CG2 3.61Å; T94-V119 WeakPolarHBondContact OG1-CG2 3.37Å; L103-V119 VanDerWaalsContact O-CG2 3.31Å; L103-V119 WeakPolarHBondContact O-CG2 3.09Å; V119-L121 HydrophobicContact CG1-CB 4.42Å; V119-L121 PolarHBondContact O-N 3.02Å; V119-P169 HydrophobicContact CG1-CG 3.51Å | ||
| 120 | T | 97.1 | Very high | 97.7 | Very high | 119 Ų | 119 | 49 Ų | 49 | 73% | 0.73 | 26% | 0.262 | S | S | * | . | trans | -79.6 | 90.2 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 121 | L | 96.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | trans | -137.3 | 113.5 | 175.3 | -178.9 | 62.1 | 0 | 0 | 0 | 109.2 | V119 E123 V125 A137 Y145 P169 | V119-L121 HydrophobicContact CG1-CB 4.42Å; V119-L121 PolarHBondContact O-N 3.02Å; L121-E123 HydrophobicContact CD1-CB 4.27Å; L121-E123 HydrophobicContact CD1-CG 3.9Å; L121-E123 HydrophobicContact CD2-CB 4.44Å; L121-E123 HydrophobicContact CG-CB 4Å; L121-E123 HydrophobicContact CG-CG 4.19Å; L121-E123 PolarHBondContact O-N 3.13Å; L121-V125 HydrophobicContact CD2-CG2 3.7Å; L121-A137 HydrophobicContact CD2-CB 4.26Å; L121-Y145 HydrophobicContact CD1-CD1 3.79Å; L121-Y145 HydrophobicContact CD1-CD2 4.12Å; L121-Y145 HydrophobicContact CD1-CE1 3.95Å; L121-Y145 HydrophobicContact CD1-CE2 4.26Å; L121-Y145 HydrophobicContact CD1-CG 3.87Å; L121-Y145 HydrophobicContact CD2-CD2 4.47Å; L121-Y145 HydrophobicContact CD2-CG 4.42Å; L121-P169 HydrophobicContact CD1-CB 4.41Å | ||
| 122 | N | 94.4 | Very high | 98 | Very high | 160 Ų | 160 | 42.7 Ų | 42.7 | 86% | 0.856 | 23% | 0.232 | S | C | * | . | trans | -84.8 | 45.4 | -177.8 | -66.3 | -29.7 | 0 | 0 | 0 | 112 | ||||
| 123 | E | 96.3 | Very high | 98 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -134.8 | 151.5 | -178 | -60.5 | -78 | -167.9 | 0 | 0 | 109.2 | L121 V125 T139 Y145 | L121-E123 HydrophobicContact CD1-CB 4.27Å; L121-E123 HydrophobicContact CD1-CG 3.9Å; L121-E123 HydrophobicContact CD2-CB 4.44Å; L121-E123 HydrophobicContact CG-CB 4Å; L121-E123 HydrophobicContact CG-CG 4.19Å; L121-E123 PolarHBondContact O-N 3.13Å; E123-V125 PolarHBondContact O-N 2.97Å; E123-T139 HydrophobicContact CB-CG2 3.52Å; E123-T139 HydrophobicContact CG-CG2 4.06Å; E123-Y145 HydrophobicContact CG-CE2 3.7Å; E123-Y145 PolarHBondContact OE1-OH 3.29Å |
| 124 | K | 96.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | trans | -85.9 | 106.4 | 173.8 | -173.2 | 172.2 | 177.5 | -171.5 | 0 | 110 | T139 E140 | K124-T139 CarbonylContact O-C 3.53Å; K124-T139 VanDerWaalsContact O-CA 3.29Å; K124-T139 WeakPolarHBondContact O-CA 3.46Å; K124-E140 HydrophobicContact CB-CG 4.2Å; K124-E140 PolarHBondContact O-N 3.14Å | ||
| 125 | V | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.7 | 179 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | L86 G90 V92 L121 E123 Q127 V128 A137 L138 | L86-V125 HydrophobicContact CD1-CB 3.67Å; L86-V125 HydrophobicContact CD1-CG1 3.62Å; L86-V125 HydrophobicContact CD2-CG1 4.23Å; G90-V125 WeakPolarHBondContact CA-O 3.4Å; G90-V125 WeakPolarHBondContact O-CB 3.39Å; G90-V125 PolarHBondContact O-N 3.03Å; V92-V125 HydrophobicContact CG2-CB 4.05Å; V92-V125 HydrophobicContact CG2-CG1 4Å; V92-V125 HydrophobicContact CG2-CG2 3.83Å; L121-V125 HydrophobicContact CD2-CG2 3.7Å; E123-V125 PolarHBondContact O-N 2.97Å; V125-Q127 WeakPolarHBondContact CG1-O 3.46Å; V125-V128 HydrophobicContact CG1-CG1 3.9Å; V125-A137 HydrophobicContact CG1-CB 3.89Å; V125-A137 HydrophobicContact CG2-CB 3.98Å; V125-L138 CarbonylContact C-O 3.53Å; V125-L138 WeakPolarHBondContact CA-O 3.44Å; V125-L138 WeakPolarHBondContact CG1-O 3.48Å |
| 126 | V | 98.4 | Very high | 98.1 | Very high | 32 Ų | 32 | 37 Ų | 37 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -15.5 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | L138 E140 | V126-L138 HydrophobicContact CG2-CD2 4.24Å; V126-L138 HydrophobicContact CG2-CG 3.99Å; V126-L138 WeakPolarHBondContact CG2-O 3.39Å; V126-L138 PolarHBondContact N-O 3.2Å; V126-E140 HydrophobicContact CG1-CB 3.86Å |
| 127 | Q | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 143.1 | 173.4 | -167.3 | -174.1 | 20 | 0 | 0 | 110.3 | V125 L138 I181 | V125-Q127 WeakPolarHBondContact CG1-O 3.46Å; Q127-L138 HydrophobicContact CB-CB 4.05Å; Q127-L138 HydrophobicContact CB-CD2 4.12Å; Q127-L138 PolarHBondContact N-O 2.92Å; Q127-L138 PolarHBondContact O-N 2.91Å; Q127-I181 HydrophobicContact CB-CG1 4.48Å; Q127-I181 HydrophobicContact CG-CG1 4.18Å; Q127-I181 PolarHBondContact NE2-O 3.25Å |
| 128 | V | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 156 | 169.1 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | Q75 V77 V84 L86 V92 V125 A136 A137 | Q75-V128 HydrophobicContact CG-CG2 4.36Å; Q75-V128 PolarHBondContact NE2-O 2.81Å; V77-V128 HydrophobicContact CG2-CG2 3.9Å; V84-V128 HydrophobicContact CG1-CB 3.96Å; V84-V128 HydrophobicContact CG1-CG1 4.04Å; V84-V128 HydrophobicContact CG1-CG2 4.06Å; L86-V128 HydrophobicContact CB-CG1 4.22Å; L86-V128 HydrophobicContact CB-CG2 4.12Å; V92-V128 HydrophobicContact CG1-CG1 4.38Å; V92-V128 HydrophobicContact CG2-CG1 3.93Å; V125-V128 HydrophobicContact CG1-CG1 3.9Å; V128-A136 CarbonylContact C-O 3.58Å; V128-A136 WeakPolarHBondContact CA-O 3.33Å; V128-A137 HydrophobicContact CG1-CB 4.44Å |
| 129 | S | 98.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 149.6 | 167.8 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | A136 S183 | S129-A136 PolarHBondContact N-O 2.8Å; S129-A136 PolarHBondContact O-N 2.95Å; S129-S183 PolarHBondContact OG-OG 3.45Å |
| 130 | A | 98.9 | Very high | 98 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V77 V84 H134 S183 | V77-A130 HydrophobicContact CG1-CB 3.92Å; V84-A130 HydrophobicContact CG2-CB 3.92Å; A130-H134 WeakPolarHBondContact CA-O 3.3Å; A130-S183 WeakPolarHBondContact O-CB 3.49Å |
| 131 | G | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | trans | -113.2 | -149.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | G79 G80 H82 H134 G184 | G79-G131 CarbonylContact C-O 3.48Å; G79-G131 WeakPolarHBondContact CA-O 3.28Å; G80-G131 PolarHBondContact N-O 2.86Å; H82-G131 PolarHBondContact CE1-O 2.92Å; H82-G131 VanDerWaalsContact CE1-O 3.23Å; G131-H134 PolarHBondContact N-O 2.9Å; G131-G184 WeakPolarHBondContact CA-O 3.39Å | ||
| 132 | D | 98.4 | Very high | 98.1 | Very high | 51 Ų | 51 | 28.1 Ų | 28.1 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -74.3 | -41.1 | 179.7 | -81.3 | 3.8 | 0 | 0 | 0 | 111.7 | G80 N185 | G80-D132 WeakPolarHBondContact CA-OD1 3.47Å; D132-N185 HydrophobicContact CB-CB 4.26Å; D132-N185 VanDerWaalsContact CG-CG 3.48Å; D132-N185 PolarHBondContact N-O 2.93Å; D132-N185 VanDerWaalsContact OD1-CG 3.25Å; D132-N185 PolarHBondContact OD1-ND2 2.91Å; D132-N185 VanDerWaalsContact OD1-ND2 3.12Å; D132-N185 WeakPolarHBondContact OD2-CB 3.37Å; D132-N185 PolarHBondContact OD2-ND2 2.85Å |
| 133 | S | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -134.9 | 9.8 | -175.2 | -66.7 | 0 | 0 | 0 | 0 | 114 | G148 S149 R151 | S133-G148 CarbonylContact O-C 3.58Å; S133-G148 VanDerWaalsContact O-CA 3.23Å; S133-G148 WeakPolarHBondContact O-CA 3.45Å; S133-S149 CarbonylContact C-O 3.57Å; S133-S149 VanDerWaalsContact C-O 3.25Å; S133-S149 WeakPolarHBondContact CB-O 3.28Å; S133-S149 PolarHBondContact O-N 3.2Å; S133-R151 PolarHBondContact OG-NE 2.81Å |
| 134 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.9 | 177.1 | 74 | -81.6 | 0 | 0 | 0 | 113.1 | A130 G131 C147 F150 L159 S183 G184 N185 | A130-H134 WeakPolarHBondContact CA-O 3.3Å; G131-H134 PolarHBondContact N-O 2.9Å; H134-C147 VanDerWaalsContact CA-O 3.28Å; H134-C147 WeakPolarHBondContact CA-O 3.37Å; H134-C147 WeakPolarHBondContact CB-O 3.27Å; H134-F150 HydrophobicContact CB-CE1 4.29Å; H134-F150 AromaticContact CD2-CE1 3.85Å; H134-F150 AromaticContact CE1-CE1 3.64Å; H134-F150 AromaticContact CG-CE1 3.59Å; H134-F150 AromaticContact ND1-CD1 3.62Å; H134-F150 AromaticContact ND1-CE1 3.45Å; H134-F150 WeakPolarHBondContact ND1-CE1 3.31Å; H134-F150 AromaticContact NE2-CE1 3.87Å; H134-L159 HydrophobicContact CB-CD1 4.21Å; H134-S183 WeakPolarHBondContact NE2-CB 3.47Å; H134-S183 PolarHBondContact NE2-OG 2.84Å; H134-G184 PolarHBondContact CE1-O 2.86Å; H134-N185 PolarHBondContact ND1-O 2.84Å |
| 135 | T | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 4% | 0.043 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.2 | 171.9 | -66.3 | 0 | 0 | 0 | 0 | 109.3 | H82 V84 A102 I146 C147 | H82-T135 PolarHBondContact NE2-OG1 3.33Å; V84-T135 HydrophobicContact CG1-CG2 4.01Å; V84-T135 HydrophobicContact CG2-CG2 3.72Å; A102-T135 VanDerWaalsContact O-CB 3.29Å; A102-T135 WeakPolarHBondContact O-CB 3.35Å; A102-T135 PolarHBondContact O-OG1 2.82Å; T135-I146 CarbonylContact O-C 3.57Å; T135-I146 VanDerWaalsContact O-CA 3.29Å; T135-I146 WeakPolarHBondContact O-CA 3.36Å; T135-I146 VanDerWaalsContact O-CG1 3.31Å; T135-I146 WeakPolarHBondContact O-CG1 3.37Å; T135-C147 PolarHBondContact N-O 2.88Å; T135-C147 PolarHBondContact O-N 3.24Å |
| 136 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V128 S129 V144 Y145 I146 I181 I188 | V128-A136 CarbonylContact C-O 3.58Å; V128-A136 WeakPolarHBondContact CA-O 3.33Å; S129-A136 PolarHBondContact N-O 2.8Å; S129-A136 PolarHBondContact O-N 2.95Å; A136-V144 HydrophobicContact CB-CG1 4.44Å; A136-Y145 CarbonylContact C-O 3.47Å; A136-Y145 VanDerWaalsContact CA-O 3.26Å; A136-Y145 WeakPolarHBondContact CA-O 3.21Å; A136-I146 HydrophobicContact CB-CB 4.38Å; A136-I146 HydrophobicContact CB-CG1 4.13Å; A136-I181 HydrophobicContact CB-CD1 4.04Å; A136-I181 WeakPolarHBondContact O-CD1 3.48Å; A136-I188 HydrophobicContact CB-CD1 3.37Å |
| 137 | A | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 13.4 Ų | 13.4 | 7% | 0.066 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L121 V125 V128 V144 Y145 | L121-A137 HydrophobicContact CD2-CB 4.26Å; V125-A137 HydrophobicContact CG1-CB 3.89Å; V125-A137 HydrophobicContact CG2-CB 3.98Å; V128-A137 HydrophobicContact CG1-CB 4.44Å; A137-V144 WeakPolarHBondContact O-CA 3.4Å; A137-Y145 PolarHBondContact N-O 3.32Å; A137-Y145 PolarHBondContact O-N 2.85Å |
| 138 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.6 | 175 | 173.4 | 63.8 | 0 | 0 | 0 | 109.4 | V125 V126 Q127 V144 V178 V179 I181 | V125-L138 CarbonylContact C-O 3.53Å; V125-L138 WeakPolarHBondContact CA-O 3.44Å; V125-L138 WeakPolarHBondContact CG1-O 3.48Å; V126-L138 HydrophobicContact CG2-CD2 4.24Å; V126-L138 HydrophobicContact CG2-CG 3.99Å; V126-L138 WeakPolarHBondContact CG2-O 3.39Å; V126-L138 PolarHBondContact N-O 3.2Å; Q127-L138 HydrophobicContact CB-CB 4.05Å; Q127-L138 HydrophobicContact CB-CD2 4.12Å; Q127-L138 PolarHBondContact N-O 2.92Å; Q127-L138 PolarHBondContact O-N 2.91Å; L138-V144 HydrophobicContact CD1-CG2 3.83Å; L138-V178 HydrophobicContact CD1-CB 3.8Å; L138-V178 HydrophobicContact CD1-CG1 3.9Å; L138-V178 WeakPolarHBondContact CD1-O 3.35Å; L138-V179 WeakPolarHBondContact CD2-O 3.44Å; L138-I181 HydrophobicContact CB-CD1 3.97Å; L138-I181 HydrophobicContact CB-CG1 4.17Å; L138-I181 HydrophobicContact CB-CG2 4.21Å |
| 139 | T | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 163.1 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | E123 K124 D141 G142 S143 Y145 | E123-T139 HydrophobicContact CB-CG2 3.52Å; E123-T139 HydrophobicContact CG-CG2 4.06Å; K124-T139 CarbonylContact O-C 3.53Å; K124-T139 VanDerWaalsContact O-CA 3.29Å; K124-T139 WeakPolarHBondContact O-CA 3.46Å; T139-D141 PolarHBondContact O-N 2.81Å; T139-D141 VanDerWaalsContact O-N 3.12Å; T139-D141 PolarHBondContact OG1-OD1 2.87Å; T139-G142 PolarHBondContact O-N 2.87Å; T139-S143 PolarHBondContact N-O 2.86Å; T139-S143 WeakPolarHBondContact OG1-CA 3.47Å; T139-S143 VanDerWaalsContact OG1-CB 3.23Å; T139-S143 WeakPolarHBondContact OG1-CB 3.3Å; T139-S143 PolarHBondContact OG1-N 2.94Å; T139-S143 VanDerWaalsContact OG1-N 3.12Å; T139-S143 PolarHBondContact OG1-O 3.03Å; T139-Y145 HydrophobicContact CG2-CD2 3.85Å; T139-Y145 HydrophobicContact CG2-CE2 3.84Å |
| 140 | E | 96.5 | Very high | 98.5 | Very high | 45 Ų | 45 | 12.5 Ų | 12.5 | 21% | 0.21 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.1 | 178.8 | 66.8 | 170.4 | -170.5 | 0 | 0 | 113.9 | K26 V28 V29 K124 V126 | K26-E140 IonicContact NZ-OE1 3.72Å; K26-E140 PolarHBondContact NZ-OE1 2.95Å; V28-E140 CarbonylContact C-O 3.59Å; V28-E140 VanDerWaalsContact CA-O 3.28Å; V28-E140 WeakPolarHBondContact CA-O 3.45Å; V29-E140 WeakPolarHBondContact CG2-O 3.42Å; V29-E140 PolarHBondContact N-O 3.28Å; K124-E140 HydrophobicContact CB-CG 4.2Å; K124-E140 PolarHBondContact O-N 3.14Å; V126-E140 HydrophobicContact CG1-CB 3.86Å |
| 141 | D | 96.4 | Very high | 98.3 | Very high | 54 Ų | 54 | 15.6 Ų | 15.6 | 29% | 0.289 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.3 | 179.2 | 78.7 | -19.1 | 0 | 0 | 0 | 113.7 | V27 T139 S143 | V27-D141 WeakPolarHBondContact O-CA 3.5Å; T139-D141 PolarHBondContact O-N 2.81Å; T139-D141 VanDerWaalsContact O-N 3.12Å; T139-D141 PolarHBondContact OG1-OD1 2.87Å; D141-S143 VanDerWaalsContact OD1-CB 3.23Å; D141-S143 WeakPolarHBondContact OD1-CB 3.5Å; D141-S143 PolarHBondContact OD1-N 2.81Å; D141-S143 PolarHBondContact OD1-OG 2.92Å; D141-S143 PolarHBondContact OD2-OG 3.05Å |
| 142 | G | 97.8 | Very high | 98 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 84.8 | 8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T139 V178 | T139-G142 PolarHBondContact O-N 2.87Å; G142-V178 WeakPolarHBondContact CA-O 3.5Å; G142-V178 PolarHBondContact O-N 3.28Å |
| 143 | S | 98.3 | Very high | 97.6 | Very high | 16 Ų | 16 | 20.4 Ų | 20.4 | 11% | 0.112 | 11% | 0.105 | C | C | . | . | trans | -74.3 | 148.6 | 169 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | T139 D141 K171 | T139-S143 PolarHBondContact N-O 2.86Å; T139-S143 WeakPolarHBondContact OG1-CA 3.47Å; T139-S143 VanDerWaalsContact OG1-CB 3.23Å; T139-S143 WeakPolarHBondContact OG1-CB 3.3Å; T139-S143 PolarHBondContact OG1-N 2.94Å; T139-S143 VanDerWaalsContact OG1-N 3.12Å; T139-S143 PolarHBondContact OG1-O 3.03Å; D141-S143 VanDerWaalsContact OD1-CB 3.23Å; D141-S143 WeakPolarHBondContact OD1-CB 3.5Å; D141-S143 PolarHBondContact OD1-N 2.81Å; D141-S143 PolarHBondContact OD1-OG 2.92Å; D141-S143 PolarHBondContact OD2-OG 3.05Å; S143-K171 WeakPolarHBondContact OG-CE 3.26Å; S143-K171 PolarHBondContact OG-NZ 3.24Å | ||
| 144 | V | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.7 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | A136 A137 L138 I172 V178 I181 L190 | A136-V144 HydrophobicContact CB-CG1 4.44Å; A137-V144 WeakPolarHBondContact O-CA 3.4Å; L138-V144 HydrophobicContact CD1-CG2 3.83Å; V144-I172 HydrophobicContact CB-CB 4.36Å; V144-I172 HydrophobicContact CB-CD1 4.14Å; V144-I172 HydrophobicContact CB-CG1 4.39Å; V144-I172 HydrophobicContact CG1-CD1 3.66Å; V144-I172 HydrophobicContact CG1-CG1 4.24Å; V144-I172 PolarHBondContact O-N 2.9Å; V144-V178 HydrophobicContact CG2-CB 3.72Å; V144-V178 HydrophobicContact CG2-CG1 3.86Å; V144-V178 HydrophobicContact CG2-CG2 3.71Å; V144-I181 HydrophobicContact CG1-CG2 4.08Å; V144-I181 HydrophobicContact CG2-CG2 3.86Å; V144-L190 HydrophobicContact CG1-CD2 4.18Å; V144-L190 HydrophobicContact CG2-CD2 4.3Å |
| 145 | Y | 98.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 25.9 Ų | 25.9 | 14% | 0.137 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.6 | 170.9 | -69.4 | -98.5 | 0 | 0 | 0 | 109.2 | L121 E123 A136 A137 T139 P169 V170 K171 | L121-Y145 HydrophobicContact CD1-CD1 3.79Å; L121-Y145 HydrophobicContact CD1-CD2 4.12Å; L121-Y145 HydrophobicContact CD1-CE1 3.95Å; L121-Y145 HydrophobicContact CD1-CE2 4.26Å; L121-Y145 HydrophobicContact CD1-CG 3.87Å; L121-Y145 HydrophobicContact CD2-CD2 4.47Å; L121-Y145 HydrophobicContact CD2-CG 4.42Å; E123-Y145 HydrophobicContact CG-CE2 3.7Å; E123-Y145 PolarHBondContact OE1-OH 3.29Å; A136-Y145 CarbonylContact C-O 3.47Å; A136-Y145 VanDerWaalsContact CA-O 3.26Å; A136-Y145 WeakPolarHBondContact CA-O 3.21Å; A137-Y145 PolarHBondContact N-O 3.32Å; A137-Y145 PolarHBondContact O-N 2.85Å; T139-Y145 HydrophobicContact CG2-CD2 3.85Å; T139-Y145 HydrophobicContact CG2-CE2 3.84Å; Y145-P169 HydrophobicContact CD1-CB 4.44Å; Y145-V170 CarbonylContact C-O 3.6Å; Y145-V170 WeakPolarHBondContact CA-O 3.29Å; Y145-K171 HydrophobicContact CD1-CB 3.99Å; Y145-K171 HydrophobicContact CE1-CB 3.71Å; Y145-K171 HydrophobicContact CE1-CG 4.32Å |
| 146 | I | 98.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144.6 | -178.8 | -166.4 | 173.2 | 0 | 0 | 0 | 110.3 | T135 A136 F150 L159 L160 V170 I172 I188 | T135-I146 CarbonylContact O-C 3.57Å; T135-I146 VanDerWaalsContact O-CA 3.29Å; T135-I146 WeakPolarHBondContact O-CA 3.36Å; T135-I146 VanDerWaalsContact O-CG1 3.31Å; T135-I146 WeakPolarHBondContact O-CG1 3.37Å; A136-I146 HydrophobicContact CB-CB 4.38Å; A136-I146 HydrophobicContact CB-CG1 4.13Å; I146-F150 HydrophobicContact CD1-CE2 4.4Å; I146-F150 HydrophobicContact CD1-CZ 3.8Å; I146-L159 HydrophobicContact CB-CD2 4.45Å; I146-L159 HydrophobicContact CD1-CD1 3.74Å; I146-L159 HydrophobicContact CD1-CG 4.38Å; I146-L159 HydrophobicContact CG1-CD1 3.97Å; I146-L159 HydrophobicContact CG1-CD2 4.19Å; I146-L159 HydrophobicContact CG1-CG 4.41Å; I146-L159 HydrophobicContact CG2-CD2 3.86Å; I146-L159 HydrophobicContact CG2-CG 4.22Å; I146-L160 HydrophobicContact CG2-CD1 4.44Å; I146-L160 HydrophobicContact CG2-CD2 4.41Å; I146-L160 HydrophobicContact CG2-CG 4.44Å; I146-V170 HydrophobicContact CG2-CG2 4.17Å; I146-V170 PolarHBondContact N-O 2.87Å; I146-V170 WeakPolarHBondContact O-CG2 3.33Å; I146-V170 PolarHBondContact O-N 2.82Å; I146-I172 HydrophobicContact CB-CD1 4.13Å; I146-I172 HydrophobicContact CB-CG1 4.17Å; I146-I172 HydrophobicContact CD1-CD1 4.44Å; I146-I172 HydrophobicContact CG2-CD1 3.93Å; I146-I172 HydrophobicContact CG2-CG1 3.56Å; I146-I188 HydrophobicContact CD1-CD1 4.17Å; I146-I188 HydrophobicContact CD1-CG2 4.43Å |
| 147 | C | 98.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.034 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 169.9 | 172.2 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | G104 H134 T135 C166 | G104-C147 WeakPolarHBondContact CA-SG 3.32Å; H134-C147 VanDerWaalsContact CA-O 3.28Å; H134-C147 WeakPolarHBondContact CA-O 3.37Å; H134-C147 WeakPolarHBondContact CB-O 3.27Å; T135-C147 PolarHBondContact N-O 2.88Å; T135-C147 PolarHBondContact O-N 3.24Å; C147-C166 CarbonylContact C-O 3.48Å; C147-C166 WeakPolarHBondContact CA-O 3.15Å; C147-C166 WeakPolarHBondContact CB-O 3.36Å |
| 148 | G | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.4 | -143.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E100 G101 S133 C166 | E100-G148 CarbonylContact O-C 3.56Å; E100-G148 WeakPolarHBondContact O-CA 3.38Å; G101-G148 PolarHBondContact O-N 2.86Å; S133-G148 CarbonylContact O-C 3.58Å; S133-G148 VanDerWaalsContact O-CA 3.23Å; S133-G148 WeakPolarHBondContact O-CA 3.45Å; G148-C166 PolarHBondContact N-O 3.18Å; G148-C166 PolarHBondContact O-N 2.88Å |
| 149 | S | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -150.5 | 158.6 | 175.9 | 78 | 0 | 0 | 0 | 0 | 111.8 | E100 S133 | E100-S149 WeakPolarHBondContact OE2-CB 3.39Å; E100-S149 PolarHBondContact OE2-OG 3.23Å; S133-S149 CarbonylContact C-O 3.57Å; S133-S149 VanDerWaalsContact C-O 3.25Å; S133-S149 WeakPolarHBondContact CB-O 3.28Å; S133-S149 PolarHBondContact O-N 3.2Å | ||
| 150 | F | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 151.2 | 163.4 | -59.8 | -61.9 | 0 | 0 | 0 | 110.1 | H134 I146 I157 G158 L159 D186 I188 G201 L228 | H134-F150 HydrophobicContact CB-CE1 4.29Å; H134-F150 AromaticContact CD2-CE1 3.85Å; H134-F150 AromaticContact CE1-CE1 3.64Å; H134-F150 AromaticContact CG-CE1 3.59Å; H134-F150 AromaticContact ND1-CD1 3.62Å; H134-F150 AromaticContact ND1-CE1 3.45Å; H134-F150 WeakPolarHBondContact ND1-CE1 3.31Å; H134-F150 AromaticContact NE2-CE1 3.87Å; I146-F150 HydrophobicContact CD1-CE2 4.4Å; I146-F150 HydrophobicContact CD1-CZ 3.8Å; F150-I157 HydrophobicContact CB-CD1 3.93Å; F150-I157 HydrophobicContact CB-CG1 3.79Å; F150-I157 VanDerWaalsContact O-CG1 3.23Å; F150-I157 WeakPolarHBondContact O-CG1 3.41Å; F150-I157 PolarHBondContact O-N 2.72Å; F150-G158 WeakPolarHBondContact CB-O 3.24Å; F150-G158 PolarHBondContact N-O 3.32Å; F150-L159 HydrophobicContact CD2-CD1 4.03Å; F150-L159 HydrophobicContact CE2-CD1 3.83Å; F150-L159 HydrophobicContact CZ-CD1 4.17Å; F150-D186 VanDerWaalsContact CD1-C 3.48Å; F150-D186 VanDerWaalsContact CD1-O 3.29Å; F150-D186 WeakPolarHBondContact CD1-O 3.42Å; F150-I188 HydrophobicContact CE1-CG2 4.49Å; F150-I188 HydrophobicContact CZ-CB 4.32Å; F150-I188 HydrophobicContact CZ-CG2 3.78Å; F150-G201 VanDerWaalsContact CD2-CA 3.46Å; F150-L228 HydrophobicContact CD2-CD2 3.86Å |
| 151 | R | 95.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 29% | 0.287 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.4 | 175 | -60 | 173.7 | 175.3 | -94.3 | 5.9 | 111.7 | E100 S133 G155 V156 D186 S202 | E100-R151 IonicContact OE1-CZ 3.45Å; E100-R151 IonicContact OE1-NH1 2.65Å; E100-R151 IonicContact OE1-NH2 2.82Å; E100-R151 PolarHBondContact OE1-NH2 2.83Å; S133-R151 PolarHBondContact OG-NE 2.81Å; R151-G155 WeakPolarHBondContact CA-O 3.49Å; R151-V156 HydrophobicContact CG-CG2 4.24Å; R151-D186 WeakPolarHBondContact CA-OD1 3.34Å; R151-D186 WeakPolarHBondContact CB-OD1 3.21Å; R151-D186 PolarHBondContact N-OD1 2.91Å; R151-D186 WeakPolarHBondContact O-CB 3.5Å; R151-D186 VanDerWaalsContact O-CG 3.27Å; R151-S202 VanDerWaalsContact O-CB 3.31Å; R151-S202 WeakPolarHBondContact O-CB 3.49Å |
| 152 | D | 92.2 | Very high | 96.2 | Very high | 24 Ų | 24 | 31 Ų | 31 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 178.3 | 166 | 74.8 | 6.1 | 0 | 0 | 0 | 108.9 | N154 G155 I157 E204 R221 | D152-N154 PolarHBondContact O-N 2.89Å; D152-N154 VanDerWaalsContact OD1-C 3.3Å; D152-N154 VanDerWaalsContact OD1-CA 3.25Å; D152-N154 WeakPolarHBondContact OD1-CA 3.24Å; D152-N154 VanDerWaalsContact OD1-CB 3.31Å; D152-N154 WeakPolarHBondContact OD1-CB 3.42Å; D152-N154 PolarHBondContact OD1-N 3.27Å; D152-G155 PolarHBondContact N-O 2.9Å; D152-G155 PolarHBondContact O-N 2.84Å; D152-G155 PolarHBondContact OD1-N 2.92Å; D152-G155 VanDerWaalsContact OD1-N 3.12Å; D152-G155 VanDerWaalsContact OD1-O 3.09Å; D152-I157 HydrophobicContact CB-CG2 3.78Å; D152-I157 WeakPolarHBondContact OD2-CG2 3.5Å; D152-E204 HydrophobicContact CB-CG 4.16Å; D152-R221 IonicContact OD1-CZ 3.73Å; D152-R221 IonicContact OD1-NE 3.72Å; D152-R221 IonicContact OD1-NH2 2.86Å; D152-R221 PolarHBondContact OD1-NH2 3.48Å; D152-R221 IonicContact OD2-NE 3.29Å; D152-R221 PolarHBondContact OD2-NE 2.67Å; D152-R221 IonicContact OD2-NH2 3.83Å |
| 153 | N | 89.8 | Confident | 96 | Very high | 132 Ų | 132 | 36.1 Ų | 36.1 | 71% | 0.706 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -13.7 | 178.9 | -73.2 | -34.5 | 0 | 0 | 0 | 113.7 | E204 | N153-E204 VanDerWaalsContact CB-OE2 3.28Å; N153-E204 WeakPolarHBondContact CB-OE2 3.44Å; N153-E204 PolarHBondContact N-OE2 3.43Å; N153-E204 PolarHBondContact ND2-OE2 3.46Å |
| 154 | N | 89.4 | Confident | 95.9 | Very high | 104 Ų | 104 | 40.1 Ų | 40.1 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5.1 | 177.8 | -52.9 | -70.9 | 0 | 0 | 0 | 112.4 | D152 R221 | D152-N154 PolarHBondContact O-N 2.89Å; D152-N154 VanDerWaalsContact OD1-C 3.3Å; D152-N154 VanDerWaalsContact OD1-CA 3.25Å; D152-N154 WeakPolarHBondContact OD1-CA 3.24Å; D152-N154 VanDerWaalsContact OD1-CB 3.31Å; D152-N154 WeakPolarHBondContact OD1-CB 3.42Å; D152-N154 PolarHBondContact OD1-N 3.27Å; N154-R221 PolarHBondContact O-NH2 3.08Å |
| 155 | G | 92.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 109.3 | -156.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R151 D152 I157 R221 | R151-G155 WeakPolarHBondContact CA-O 3.49Å; D152-G155 PolarHBondContact N-O 2.9Å; D152-G155 PolarHBondContact O-N 2.84Å; D152-G155 PolarHBondContact OD1-N 2.92Å; D152-G155 VanDerWaalsContact OD1-N 3.12Å; D152-G155 VanDerWaalsContact OD1-O 3.09Å; G155-I157 PolarHBondContact O-N 2.91Å; G155-R221 PolarHBondContact O-NH2 3.34Å |
| 156 | V | 95.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.9 | -173.2 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | E100 R151 M163 T165 R221 | E100-V156 WeakPolarHBondContact OE1-CG2 3.49Å; E100-V156 VanDerWaalsContact OE2-CG2 3.3Å; E100-V156 WeakPolarHBondContact OE2-CG2 3.37Å; R151-V156 HydrophobicContact CG-CG2 4.24Å; V156-M163 VanDerWaalsContact O-CE 3.28Å; V156-M163 WeakPolarHBondContact O-CE 3.32Å; V156-M163 VanDerWaalsContact O-SD 3.42Å; V156-T165 HydrophobicContact CG1-CG2 3.98Å; V156-R221 PolarHBondContact O-NH1 2.96Å |
| 157 | I | 95.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -9.4 | 174.8 | 58.5 | 167.3 | 0 | 0 | 0 | 113.2 | F150 D152 G155 M163 L224 L228 | F150-I157 HydrophobicContact CB-CD1 3.93Å; F150-I157 HydrophobicContact CB-CG1 3.79Å; F150-I157 VanDerWaalsContact O-CG1 3.23Å; F150-I157 WeakPolarHBondContact O-CG1 3.41Å; F150-I157 PolarHBondContact O-N 2.72Å; D152-I157 HydrophobicContact CB-CG2 3.78Å; D152-I157 WeakPolarHBondContact OD2-CG2 3.5Å; G155-I157 PolarHBondContact O-N 2.91Å; I157-M163 PolarHBondContact O-N 2.85Å; I157-L224 HydrophobicContact CB-CD1 4.09Å; I157-L224 HydrophobicContact CB-CD2 3.91Å; I157-L224 HydrophobicContact CD1-CD2 4.33Å; I157-L224 HydrophobicContact CG2-CD1 4.37Å; I157-L224 HydrophobicContact CG2-CD2 4Å; I157-L228 HydrophobicContact CD1-CD2 3.91Å; I157-L228 HydrophobicContact CG1-CD2 4.1Å; I157-L228 WeakPolarHBondContact O-CD1 3.29Å |
| 158 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.9 | -172.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F150 K164 | F150-G158 WeakPolarHBondContact CB-O 3.24Å; F150-G158 PolarHBondContact N-O 3.32Å; G158-K164 CarbonylContact C-O 3.56Å; G158-K164 VanDerWaalsContact CA-O 3.31Å; G158-K164 WeakPolarHBondContact CA-O 3.31Å |
| 159 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -114.3 | -70.1 | -177.9 | -167.7 | 68.5 | 0 | 0 | 0 | 113.2 | H134 I146 F150 K164 C166 V170 L228 | H134-L159 HydrophobicContact CB-CD1 4.21Å; I146-L159 HydrophobicContact CB-CD2 4.45Å; I146-L159 HydrophobicContact CD1-CD1 3.74Å; I146-L159 HydrophobicContact CD1-CG 4.38Å; I146-L159 HydrophobicContact CG1-CD1 3.97Å; I146-L159 HydrophobicContact CG1-CD2 4.19Å; I146-L159 HydrophobicContact CG1-CG 4.41Å; I146-L159 HydrophobicContact CG2-CD2 3.86Å; I146-L159 HydrophobicContact CG2-CG 4.22Å; F150-L159 HydrophobicContact CD2-CD1 4.03Å; F150-L159 HydrophobicContact CE2-CD1 3.83Å; F150-L159 HydrophobicContact CZ-CD1 4.17Å; L159-K164 PolarHBondContact N-O 3.3Å; L159-C166 HydrophobicContact CD2-CB 3.62Å; L159-V170 HydrophobicContact CD2-CG2 4.19Å; L159-L228 WeakPolarHBondContact O-CB 3.21Å |
| 160 | L | 97.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -109.3 | -23.2 | 173.2 | -62.7 | 180 | 0 | 0 | 0 | 111.9 | I146 V170 I172 I229 | I146-L160 HydrophobicContact CG2-CD1 4.44Å; I146-L160 HydrophobicContact CG2-CD2 4.41Å; I146-L160 HydrophobicContact CG2-CG 4.44Å; L160-V170 HydrophobicContact CD1-CB 4.48Å; L160-V170 HydrophobicContact CD1-CG2 3.71Å; L160-V170 HydrophobicContact CG-CG2 4.43Å; L160-I172 HydrophobicContact CD2-CG1 4.46Å; L160-I229 VanDerWaalsContact O-CD1 3.3Å; L160-I229 WeakPolarHBondContact O-CD1 3.4Å |
| 161 | E | 95.6 | Very high | 95.7 | Very high | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 140.6 | 175.7 | -67.8 | 176.9 | -109 | 0 | 0 | 109.1 | M163 K164 | E161-M163 PolarHBondContact O-N 2.81Å; E161-K164 HydrophobicContact CB-CB 4.07Å; E161-K164 HydrophobicContact CB-CD 4.14Å; E161-K164 PolarHBondContact O-N 2.82Å; E161-K164 IonicContact OE1-NZ 3.32Å; E161-K164 PolarHBondContact OE1-NZ 2.98Å; E161-K164 IonicContact OE2-NZ 3.39Å |
| 162 | P | 95.1 | Very high | 95.8 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -55 | 134.3 | 178.3 | -26.8 | 35.6 | 0 | 0 | 0 | 112.7 | K164 L224 L228 | P162-K164 PolarHBondContact O-N 3.31Å; P162-K164 VanDerWaalsContact O-N 3.15Å; P162-L224 HydrophobicContact CB-CB 3.99Å; P162-L224 HydrophobicContact CB-CD1 4.13Å; P162-L224 HydrophobicContact CG-CB 3.92Å; P162-L228 HydrophobicContact CB-CD1 4.35Å; P162-L228 HydrophobicContact CG-CD1 4.18Å |
| 163 | M | 94.2 | Very high | 96 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 15.7 | 176.2 | -52.5 | -56.8 | -54.5 | 0 | 0 | 115.2 | V156 I157 E161 L224 | V156-M163 VanDerWaalsContact O-CE 3.28Å; V156-M163 WeakPolarHBondContact O-CE 3.32Å; V156-M163 VanDerWaalsContact O-SD 3.42Å; I157-M163 PolarHBondContact O-N 2.85Å; E161-M163 PolarHBondContact O-N 2.81Å; M163-L224 HydrophobicContact SD-CD1 4.39Å |
| 164 | K | 96.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -119.8 | 116.5 | -179.2 | -173.6 | 178.3 | 174.1 | -170.2 | 0 | 110.7 | G158 L159 E161 P162 | G158-K164 CarbonylContact C-O 3.56Å; G158-K164 VanDerWaalsContact CA-O 3.31Å; G158-K164 WeakPolarHBondContact CA-O 3.31Å; L159-K164 PolarHBondContact N-O 3.3Å; E161-K164 HydrophobicContact CB-CB 4.07Å; E161-K164 HydrophobicContact CB-CD 4.14Å; E161-K164 PolarHBondContact O-N 2.82Å; E161-K164 IonicContact OE1-NZ 3.32Å; E161-K164 PolarHBondContact OE1-NZ 2.98Å; E161-K164 IonicContact OE2-NZ 3.39Å; P162-K164 PolarHBondContact O-N 3.31Å; P162-K164 VanDerWaalsContact O-N 3.15Å |
| 165 | T | 97.1 | Very high | 96.4 | Very high | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | trans | -77.3 | 159.9 | 170.6 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | E100 V156 | E100-T165 VanDerWaalsContact OE2-CG2 3.28Å; E100-T165 WeakPolarHBondContact OE2-CG2 3.33Å; V156-T165 HydrophobicContact CG1-CG2 3.98Å | ||
| 166 | C | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 98.3 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | C147 G148 L159 V168 V170 | C147-C166 CarbonylContact C-O 3.48Å; C147-C166 WeakPolarHBondContact CA-O 3.15Å; C147-C166 WeakPolarHBondContact CB-O 3.36Å; G148-C166 PolarHBondContact N-O 3.18Å; G148-C166 PolarHBondContact O-N 2.88Å; L159-C166 HydrophobicContact CD2-CB 3.62Å; C166-V168 PolarHBondContact O-N 3.4Å; C166-V170 HydrophobicContact CB-CG1 4.29Å; C166-V170 HydrophobicContact CB-CG2 4.03Å |
| 167 | P | 97.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -3.7 | -177.4 | 32 | -36.6 | 0 | 0 | 0 | 114.2 | G104 R105 | G104-P167 CarbonylContact C-O 3.55Å; G104-P167 VanDerWaalsContact C-O 3.26Å; G104-P167 WeakPolarHBondContact CA-O 3.39Å; R105-P167 PolarHBondContact N-O 2.87Å |
| 168 | V | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 53% | 0.527 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.3 | 175.4 | -64.9 | 0 | 0 | 0 | 0 | 109.5 | C166 V170 | C166-V168 PolarHBondContact O-N 3.4Å; V168-V170 PolarHBondContact O-N 2.9Å |
| 169 | P | 98.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 122.9 | 178.1 | -24.9 | 33.9 | 0 | 0 | 0 | 111.9 | G104 V119 L121 Y145 | G104-P169 WeakPolarHBondContact O-CD 3.34Å; V119-P169 HydrophobicContact CG1-CG 3.51Å; L121-P169 HydrophobicContact CD1-CB 4.41Å; Y145-P169 HydrophobicContact CD1-CB 4.44Å |
| 170 | V | 98.5 | Very high | 96.9 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.5 | 173.8 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | Y145 I146 L159 L160 C166 V168 I172 | Y145-V170 CarbonylContact C-O 3.6Å; Y145-V170 WeakPolarHBondContact CA-O 3.29Å; I146-V170 HydrophobicContact CG2-CG2 4.17Å; I146-V170 PolarHBondContact N-O 2.87Å; I146-V170 WeakPolarHBondContact O-CG2 3.33Å; I146-V170 PolarHBondContact O-N 2.82Å; L159-V170 HydrophobicContact CD2-CG2 4.19Å; L160-V170 HydrophobicContact CD1-CB 4.48Å; L160-V170 HydrophobicContact CD1-CG2 3.71Å; L160-V170 HydrophobicContact CG-CG2 4.43Å; C166-V170 HydrophobicContact CB-CG1 4.29Å; C166-V170 HydrophobicContact CB-CG2 4.03Å; V168-V170 PolarHBondContact O-N 2.9Å; V170-I172 PolarHBondContact O-N 2.81Å |
| 171 | K | 98.3 | Very high | 97 | Very high | 102 Ų | 102 | 56 Ų | 56 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 129 | 179.9 | -172.4 | 168.7 | -177.1 | 153.7 | 0 | 110.6 | S143 Y145 | S143-K171 WeakPolarHBondContact OG-CE 3.26Å; S143-K171 PolarHBondContact OG-NZ 3.24Å; Y145-K171 HydrophobicContact CD1-CB 3.99Å; Y145-K171 HydrophobicContact CE1-CB 3.71Å; Y145-K171 HydrophobicContact CE1-CG 4.32Å |
| 172 | I | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | trans | -68.6 | 129.7 | 172.1 | -65.9 | -169.9 | 0 | 0 | 0 | 109.4 | V144 I146 L160 V170 L174 L190 P230 | V144-I172 HydrophobicContact CB-CB 4.36Å; V144-I172 HydrophobicContact CB-CD1 4.14Å; V144-I172 HydrophobicContact CB-CG1 4.39Å; V144-I172 HydrophobicContact CG1-CD1 3.66Å; V144-I172 HydrophobicContact CG1-CG1 4.24Å; V144-I172 PolarHBondContact O-N 2.9Å; I146-I172 HydrophobicContact CB-CD1 4.13Å; I146-I172 HydrophobicContact CB-CG1 4.17Å; I146-I172 HydrophobicContact CD1-CD1 4.44Å; I146-I172 HydrophobicContact CG2-CD1 3.93Å; I146-I172 HydrophobicContact CG2-CG1 3.56Å; L160-I172 HydrophobicContact CD2-CG1 4.46Å; V170-I172 PolarHBondContact O-N 2.81Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 HydrophobicContact CG2-CB 4.34Å; I172-L174 PolarHBondContact O-N 2.86Å; I172-L190 HydrophobicContact CD1-CD1 4.2Å; I172-L190 HydrophobicContact CD1-CD2 4.45Å; I172-L190 HydrophobicContact CG2-CD1 4.22Å; I172-P230 HydrophobicContact CG2-CG 3.54Å | ||
| 173 | P | 95.7 | Very high | 97.3 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | trans | -78.5 | 75.9 | -179 | 32.8 | -36.1 | 0 | 0 | 0 | 111.5 | I229 | P173-I229 HydrophobicContact CG-CD1 4.47Š| ||
| 174 | L | 95.7 | Very high | 97.5 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | trans | -122.7 | 135.3 | 175.1 | -165.1 | 69.9 | 0 | 0 | 0 | 110.6 | I172 V178 L190 T192 F198 | I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 HydrophobicContact CG2-CB 4.34Å; I172-L174 PolarHBondContact O-N 2.86Å; L174-V178 HydrophobicContact CD2-CG2 3.63Å; L174-L190 HydrophobicContact CD2-CD1 4.26Å; L174-T192 HydrophobicContact CD2-CG2 4.2Å; L174-F198 HydrophobicContact CD1-CD1 3.67Å; L174-F198 HydrophobicContact CD1-CD2 4.41Å; L174-F198 HydrophobicContact CD1-CE1 3.54Å; L174-F198 HydrophobicContact CD1-CE2 4.29Å; L174-F198 HydrophobicContact CD1-CG 4.13Å; L174-F198 HydrophobicContact CD1-CZ 3.88Å; L174-F198 HydrophobicContact CD2-CD2 4.44Å | ||
| 175 | T | 92.6 | Very high | 97.6 | Very high | 143 Ų | 143 | 41 Ų | 41 | 88% | 0.877 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -88.6 | -23.3 | -178.9 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 176 | E | 94.9 | Very high | 97.7 | Very high | 49 Ų | 49 | 39 Ų | 39 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -87.1 | 131.8 | -179.7 | -66.3 | -178.6 | -155.6 | 0 | 0 | 110.4 | V178 T192 N196 | E176-V178 PolarHBondContact O-N 2.82Å; E176-T192 HydrophobicContact CB-CG2 3.84Å; E176-T192 WeakPolarHBondContact OE2-CB 3.44Å; E176-T192 WeakPolarHBondContact OE2-CG2 3.18Å; E176-T192 PolarHBondContact OE2-OG1 2.77Å; E176-N196 VanDerWaalsContact CD-ND2 3.33Å; E176-N196 PolarHBondContact OE1-ND2 2.85Å; E176-N196 PolarHBondContact OE2-ND2 2.94Å |
| 177 | P | 97.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 127.2 | 174.7 | -23.4 | 33.6 | 0 | 0 | 0 | 111.9 | V29 T192 L193 | V29-P177 HydrophobicContact CG1-CB 4.05Å; P177-T192 CarbonylContact O-C 3.57Å; P177-T192 VanDerWaalsContact O-CA 3.31Å; P177-T192 WeakPolarHBondContact O-CA 3.35Å; P177-T192 WeakPolarHBondContact O-CB 3.42Å; P177-L193 PolarHBondContact O-N 2.88Å |
| 178 | V | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 139 | 176 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | V29 L138 G142 V144 L174 E176 K180 I181 L190 L191 | V29-V178 WeakPolarHBondContact CG1-O 3.37Å; L138-V178 HydrophobicContact CD1-CB 3.8Å; L138-V178 HydrophobicContact CD1-CG1 3.9Å; L138-V178 WeakPolarHBondContact CD1-O 3.35Å; G142-V178 WeakPolarHBondContact CA-O 3.5Å; G142-V178 PolarHBondContact O-N 3.28Å; V144-V178 HydrophobicContact CG2-CB 3.72Å; V144-V178 HydrophobicContact CG2-CG1 3.86Å; V144-V178 HydrophobicContact CG2-CG2 3.71Å; L174-V178 HydrophobicContact CD2-CG2 3.63Å; E176-V178 PolarHBondContact O-N 2.82Å; V178-K180 VanDerWaalsContact CG1-O 3.31Å; V178-K180 WeakPolarHBondContact CG1-O 3.37Å; V178-I181 HydrophobicContact CG1-CG2 3.87Å; V178-L190 HydrophobicContact CG1-CB 4.25Å; V178-L190 HydrophobicContact CG2-CB 4.16Å; V178-L191 WeakPolarHBondContact CG1-O 3.39Å |
| 179 | V | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -23.6 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | V29 H31 H34 L138 L191 L193 | V29-V179 HydrophobicContact CB-CG1 4.21Å; V29-V179 HydrophobicContact CG1-CG1 4.28Å; H31-V179 HydrophobicContact CB-CB 4.35Å; H31-V179 VanDerWaalsContact CB-O 3.3Å; H31-V179 WeakPolarHBondContact CB-O 3.21Å; H34-V179 PolarHBondContact CE1-O 3.38Å; H34-V179 PolarHBondContact NE2-O 2.84Å; L138-V179 WeakPolarHBondContact CD2-O 3.44Å; V179-L191 HydrophobicContact CG2-CD2 4.28Å; V179-L191 HydrophobicContact CG2-CG 4.05Å; V179-L191 WeakPolarHBondContact CG2-O 3.4Å; V179-L191 PolarHBondContact N-O 2.94Å; V179-L193 HydrophobicContact CG1-CB 3.86Å; V179-L193 HydrophobicContact CG1-CD1 3.66Å; V179-L193 HydrophobicContact CG1-CG 4.38Å |
| 180 | K | 98.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.5 | 175.7 | -171 | -176.2 | -172.3 | -171.6 | 0 | 111 | V178 L191 D243 A244 F245 | V178-K180 VanDerWaalsContact CG1-O 3.31Å; V178-K180 WeakPolarHBondContact CG1-O 3.37Å; K180-L191 HydrophobicContact CB-CB 4.15Å; K180-L191 HydrophobicContact CB-CD2 4.34Å; K180-L191 PolarHBondContact N-O 3.43Å; K180-L191 PolarHBondContact O-N 2.79Å; K180-D243 WeakPolarHBondContact CD-OD1 3.48Å; K180-D243 WeakPolarHBondContact CE-OD1 3.33Å; K180-D243 IonicContact NZ-OD1 3.33Å; K180-D243 PolarHBondContact NZ-OD1 3Å; K180-D243 IonicContact NZ-OD2 3.66Å; K180-A244 WeakPolarHBondContact CE-O 3.31Å; K180-A244 PolarHBondContact NZ-O 2.91Å; K180-F245 VanDerWaalsContact NZ-CE1 3.3Å |
| 181 | I | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.5 | 166.2 | 60.1 | 174.2 | 0 | 0 | 0 | 110.4 | Q127 A136 L138 V144 V178 V189 L190 | Q127-I181 HydrophobicContact CB-CG1 4.48Å; Q127-I181 HydrophobicContact CG-CG1 4.18Å; Q127-I181 PolarHBondContact NE2-O 3.25Å; A136-I181 HydrophobicContact CB-CD1 4.04Å; A136-I181 WeakPolarHBondContact O-CD1 3.48Å; L138-I181 HydrophobicContact CB-CD1 3.97Å; L138-I181 HydrophobicContact CB-CG1 4.17Å; L138-I181 HydrophobicContact CB-CG2 4.21Å; V144-I181 HydrophobicContact CG1-CG2 4.08Å; V144-I181 HydrophobicContact CG2-CG2 3.86Å; V178-I181 HydrophobicContact CG1-CG2 3.87Å; I181-V189 WeakPolarHBondContact CA-O 3.32Å; I181-L190 HydrophobicContact CB-CD2 4.46Å; I181-L190 HydrophobicContact CG2-CD2 3.65Å |
| 182 | A | 98.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | I188 V189 C246 | A182-I188 WeakPolarHBondContact O-CA 3.35Å; A182-V189 HydrophobicContact CB-CB 4.49Å; A182-V189 PolarHBondContact N-O 2.92Å; A182-V189 PolarHBondContact O-N 2.84Å; A182-C246 HydrophobicContact CB-CB 4.41Å |
| 183 | S | 98.9 | Very high | 97.7 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.9 | 179.8 | -70.4 | 0 | 0 | 0 | 0 | 109.7 | S129 A130 H134 H187 C246 | S129-S183 PolarHBondContact OG-OG 3.45Å; A130-S183 WeakPolarHBondContact O-CB 3.49Å; H134-S183 WeakPolarHBondContact NE2-CB 3.47Å; H134-S183 PolarHBondContact NE2-OG 2.84Å; S183-H187 WeakPolarHBondContact CA-O 3.44Å; S183-C246 VanDerWaalsContact O-CB 3.31Å; S183-C246 WeakPolarHBondContact O-CB 3.36Å |
| 184 | G | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | trans | -93.8 | -158.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G131 H134 H187 G247 | G131-G184 WeakPolarHBondContact CA-O 3.39Å; H134-G184 PolarHBondContact CE1-O 2.86Å; G184-H187 PolarHBondContact N-O 2.72Å; G184-G247 WeakPolarHBondContact CA-O 3.47Å | ||
| 185 | N | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -61.3 | -55.4 | -177.4 | -74.5 | 36 | 0 | 0 | 0 | 111.5 | D132 H134 A248 Y249 | D132-N185 HydrophobicContact CB-CB 4.26Å; D132-N185 VanDerWaalsContact CG-CG 3.48Å; D132-N185 PolarHBondContact N-O 2.93Å; D132-N185 VanDerWaalsContact OD1-CG 3.25Å; D132-N185 PolarHBondContact OD1-ND2 2.91Å; D132-N185 VanDerWaalsContact OD1-ND2 3.12Å; D132-N185 WeakPolarHBondContact OD2-CB 3.37Å; D132-N185 PolarHBondContact OD2-ND2 2.85Å; H134-N185 PolarHBondContact ND1-O 2.84Å; N185-A248 PolarHBondContact N-O 3.18Å; N185-A248 WeakPolarHBondContact OD1-CA 3.42Å; N185-A248 WeakPolarHBondContact OD1-CB 3.4Å; N185-Y249 HydrophobicContact CB-CD1 4.43Å; N185-Y249 HydrophobicContact CB-CE1 3.92Å |
| 186 | D | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -128.8 | 26.1 | -175.4 | -67.2 | -70.8 | 0 | 0 | 0 | 113.1 | F150 R151 G201 S202 | F150-D186 VanDerWaalsContact CD1-C 3.48Å; F150-D186 VanDerWaalsContact CD1-O 3.29Å; F150-D186 WeakPolarHBondContact CD1-O 3.42Å; R151-D186 WeakPolarHBondContact CA-OD1 3.34Å; R151-D186 WeakPolarHBondContact CB-OD1 3.21Å; R151-D186 PolarHBondContact N-OD1 2.91Å; R151-D186 WeakPolarHBondContact O-CB 3.5Å; R151-D186 VanDerWaalsContact O-CG 3.27Å; D186-G201 CarbonylContact O-C 3.54Å; D186-G201 WeakPolarHBondContact O-CA 3.27Å; D186-S202 WeakPolarHBondContact O-CB 3.35Å; D186-S202 PolarHBondContact O-N 2.76Å |
| 187 | H | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.9 | 174.2 | 73.7 | -66.6 | 0 | 0 | 0 | 111.3 | S183 G184 S200 Q207 L208 C246 T251 | S183-H187 WeakPolarHBondContact CA-O 3.44Å; G184-H187 PolarHBondContact N-O 2.72Å; H187-S200 CarbonylContact C-O 3.59Å; H187-S200 WeakPolarHBondContact CA-O 3.43Å; H187-Q207 HydrophobicContact CB-CG 3.8Å; H187-Q207 PolarHBondContact CD2-O 3.48Å; H187-L208 HydrophobicContact CB-CD2 3.99Å; H187-C246 PolarHBondContact NE2-SG 2.84Å; H187-T251 PolarHBondContact CD2-OG1 3.24Å; H187-T251 PolarHBondContact NE2-OG1 3.27Å |
| 188 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.7 | 174.9 | -169.6 | 171 | 0 | 0 | 0 | 110.5 | A136 I146 F150 A182 L190 T199 S200 | A136-I188 HydrophobicContact CB-CD1 3.37Å; I146-I188 HydrophobicContact CD1-CD1 4.17Å; I146-I188 HydrophobicContact CD1-CG2 4.43Å; F150-I188 HydrophobicContact CE1-CG2 4.49Å; F150-I188 HydrophobicContact CZ-CB 4.32Å; F150-I188 HydrophobicContact CZ-CG2 3.78Å; A182-I188 WeakPolarHBondContact O-CA 3.35Å; I188-L190 HydrophobicContact CD1-CD2 3.78Å; I188-L190 HydrophobicContact CG1-CD2 3.89Å; I188-T199 VanDerWaalsContact O-CA 3.32Å; I188-T199 WeakPolarHBondContact O-CA 3.49Å; I188-S200 PolarHBondContact N-O 3.15Å; I188-S200 PolarHBondContact O-N 2.98Å |
| 189 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | I181 A182 L197 F198 T199 A244 C246 T251 | I181-V189 WeakPolarHBondContact CA-O 3.32Å; A182-V189 HydrophobicContact CB-CB 4.49Å; A182-V189 PolarHBondContact N-O 2.92Å; A182-V189 PolarHBondContact O-N 2.84Å; V189-L197 HydrophobicContact CG1-CD1 3.31Å; V189-L197 HydrophobicContact CG1-CD2 4.34Å; V189-L197 HydrophobicContact CG1-CG 3.84Å; V189-F198 CarbonylContact C-O 3.5Å; V189-F198 WeakPolarHBondContact CA-O 3.28Å; V189-T199 HydrophobicContact CG1-CG2 4.46Å; V189-T199 HydrophobicContact CG2-CG2 4.09Å; V189-A244 HydrophobicContact CG1-CB 3.9Å; V189-C246 WeakPolarHBondContact CG2-SG 3.42Å; V189-T251 HydrophobicContact CG1-CG2 4.33Å; V189-T251 HydrophobicContact CG2-CG2 3.65Å |
| 190 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117 | 179.2 | -44.3 | 172.6 | 0 | 0 | 0 | 108.4 | V144 I172 L174 V178 I181 I188 F198 P230 | V144-L190 HydrophobicContact CG1-CD2 4.18Å; V144-L190 HydrophobicContact CG2-CD2 4.3Å; I172-L190 HydrophobicContact CD1-CD1 4.2Å; I172-L190 HydrophobicContact CD1-CD2 4.45Å; I172-L190 HydrophobicContact CG2-CD1 4.22Å; L174-L190 HydrophobicContact CD2-CD1 4.26Å; V178-L190 HydrophobicContact CG1-CB 4.25Å; V178-L190 HydrophobicContact CG2-CB 4.16Å; I181-L190 HydrophobicContact CB-CD2 4.46Å; I181-L190 HydrophobicContact CG2-CD2 3.65Å; I188-L190 HydrophobicContact CD1-CD2 3.78Å; I188-L190 HydrophobicContact CG1-CD2 3.89Å; L190-F198 HydrophobicContact CB-CB 4.21Å; L190-F198 HydrophobicContact CD1-CB 4.48Å; L190-F198 PolarHBondContact N-O 3.41Å; L190-F198 PolarHBondContact O-N 2.9Å; L190-P230 HydrophobicContact CD1-CB 4.03Å; L190-P230 HydrophobicContact CD1-CG 4.02Å |
| 191 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.6 | 174 | 177.3 | 64.2 | 0 | 0 | 0 | 109.1 | V178 V179 K180 L197 F241 | V178-L191 WeakPolarHBondContact CG1-O 3.39Å; V179-L191 HydrophobicContact CG2-CD2 4.28Å; V179-L191 HydrophobicContact CG2-CG 4.05Å; V179-L191 WeakPolarHBondContact CG2-O 3.4Å; V179-L191 PolarHBondContact N-O 2.94Å; K180-L191 HydrophobicContact CB-CB 4.15Å; K180-L191 HydrophobicContact CB-CD2 4.34Å; K180-L191 PolarHBondContact N-O 3.43Å; K180-L191 PolarHBondContact O-N 2.79Å; L191-L197 HydrophobicContact CB-CD1 4.47Å; L191-L197 HydrophobicContact CD1-CD1 4.39Å; L191-F241 HydrophobicContact CD1-CB 3.8Å |
| 192 | T | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 163.7 | 180 | 78.6 | 0 | 0 | 0 | 0 | 112.4 | L174 E176 P177 D194 G195 N196 F198 | L174-T192 HydrophobicContact CD2-CG2 4.2Å; E176-T192 HydrophobicContact CB-CG2 3.84Å; E176-T192 WeakPolarHBondContact OE2-CB 3.44Å; E176-T192 WeakPolarHBondContact OE2-CG2 3.18Å; E176-T192 PolarHBondContact OE2-OG1 2.77Å; P177-T192 CarbonylContact O-C 3.57Å; P177-T192 VanDerWaalsContact O-CA 3.31Å; P177-T192 WeakPolarHBondContact O-CA 3.35Å; P177-T192 WeakPolarHBondContact O-CB 3.42Å; T192-D194 PolarHBondContact O-N 2.93Å; T192-G195 WeakPolarHBondContact O-CA 3.45Å; T192-G195 PolarHBondContact O-N 2.82Å; T192-N196 HydrophobicContact CG2-CB 4.26Å; T192-N196 PolarHBondContact N-O 2.79Å; T192-N196 WeakPolarHBondContact OG1-CB 3.49Å; T192-N196 PolarHBondContact OG1-N 2.98Å; T192-F198 HydrophobicContact CG2-CD2 3.7Å; T192-F198 HydrophobicContact CG2-CE2 3.66Å |
| 193 | L | 95.3 | Very high | 97.7 | Very high | 103 Ų | 103 | 14.9 Ų | 14.9 | 54% | 0.539 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.2 | 177.7 | -174 | 64.5 | 0 | 0 | 0 | 112.9 | P177 V179 G195 | P177-L193 PolarHBondContact O-N 2.88Å; V179-L193 HydrophobicContact CG1-CB 3.86Å; V179-L193 HydrophobicContact CG1-CD1 3.66Å; V179-L193 HydrophobicContact CG1-CG 4.38Å; L193-G195 PolarHBondContact O-N 3.38Å |
| 194 | D | 94.8 | Very high | 97.3 | Very high | 92 Ų | 92 | 15.2 Ų | 15.2 | 49% | 0.492 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2.1 | 178.4 | -69.2 | -31.2 | 0 | 0 | 0 | 113.4 | T192 R240 | T192-D194 PolarHBondContact O-N 2.93Å; D194-R240 WeakPolarHBondContact O-CD 3.37Å; D194-R240 PolarHBondContact O-NE 3.03Å |
| 195 | G | 96.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 76.3 | 24.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T192 L193 F241 | T192-G195 WeakPolarHBondContact O-CA 3.45Å; T192-G195 PolarHBondContact O-N 2.82Å; L193-G195 PolarHBondContact O-N 3.38Å; G195-F241 VanDerWaalsContact CA-O 3.24Å; G195-F241 WeakPolarHBondContact CA-O 3.27Å; G195-F241 PolarHBondContact O-N 2.85Å |
| 196 | N | 97.1 | Very high | 97 | Very high | 12 Ų | 12 | 15.7 Ų | 15.7 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | trans | -79.9 | 141.5 | 167.1 | -64.6 | -48.2 | 0 | 0 | 0 | 109.7 | E176 T192 F198 M232 R240 | E176-N196 VanDerWaalsContact CD-ND2 3.33Å; E176-N196 PolarHBondContact OE1-ND2 2.85Å; E176-N196 PolarHBondContact OE2-ND2 2.94Å; T192-N196 HydrophobicContact CG2-CB 4.26Å; T192-N196 PolarHBondContact N-O 2.79Å; T192-N196 WeakPolarHBondContact OG1-CB 3.49Å; T192-N196 PolarHBondContact OG1-N 2.98Å; N196-F198 HydrophobicContact CB-CD2 4.16Å; N196-F198 HydrophobicContact CB-CE2 3.62Å; N196-M232 HydrophobicContact CB-CG 4.41Å; N196-M232 HydrophobicContact CB-SD 4.09Å; N196-M232 PolarHBondContact OD1-SD 2.95Å; N196-R240 PolarHBondContact OD1-NH1 3.19Å | ||
| 197 | L | 98 | Very high | 97 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.5 | 175.7 | -163.1 | 70.8 | 0 | 0 | 0 | 108.9 | V189 L191 M232 V233 F241 A244 A253 F263 | V189-L197 HydrophobicContact CG1-CD1 3.31Å; V189-L197 HydrophobicContact CG1-CD2 4.34Å; V189-L197 HydrophobicContact CG1-CG 3.84Å; L191-L197 HydrophobicContact CB-CD1 4.47Å; L191-L197 HydrophobicContact CD1-CD1 4.39Å; L197-M232 CarbonylContact O-C 3.58Å; L197-M232 WeakPolarHBondContact O-CA 3.3Å; L197-V233 HydrophobicContact CB-CB 4.4Å; L197-V233 HydrophobicContact CB-CG2 4.5Å; L197-V233 HydrophobicContact CD2-CB 4.49Å; L197-V233 HydrophobicContact CD2-CG2 4.28Å; L197-V233 HydrophobicContact CG-CG2 4.42Å; L197-V233 PolarHBondContact O-N 2.83Å; L197-F241 HydrophobicContact CB-CD2 3.77Å; L197-F241 HydrophobicContact CB-CE2 4.03Å; L197-F241 HydrophobicContact CD2-CD2 4.42Å; L197-F241 HydrophobicContact CD2-CE2 4.32Å; L197-A244 HydrophobicContact CD1-CB 3.61Å; L197-A253 HydrophobicContact CD2-CB 3.84Å; L197-F263 HydrophobicContact CD2-CE1 4.21Å; L197-F263 HydrophobicContact CD2-CZ 3.97Å |
| 198 | F | 98.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 15.1 Ų | 15.1 | 9% | 0.092 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.3 | 173 | -69.7 | -108.1 | 0 | 0 | 0 | 109.7 | L174 V189 L190 T192 N196 P230 Q231 M232 | L174-F198 HydrophobicContact CD1-CD1 3.67Å; L174-F198 HydrophobicContact CD1-CD2 4.41Å; L174-F198 HydrophobicContact CD1-CE1 3.54Å; L174-F198 HydrophobicContact CD1-CE2 4.29Å; L174-F198 HydrophobicContact CD1-CG 4.13Å; L174-F198 HydrophobicContact CD1-CZ 3.88Å; L174-F198 HydrophobicContact CD2-CD2 4.44Å; V189-F198 CarbonylContact C-O 3.5Å; V189-F198 WeakPolarHBondContact CA-O 3.28Å; L190-F198 HydrophobicContact CB-CB 4.21Å; L190-F198 HydrophobicContact CD1-CB 4.48Å; L190-F198 PolarHBondContact N-O 3.41Å; L190-F198 PolarHBondContact O-N 2.9Å; T192-F198 HydrophobicContact CG2-CD2 3.7Å; T192-F198 HydrophobicContact CG2-CE2 3.66Å; N196-F198 HydrophobicContact CB-CD2 4.16Å; N196-F198 HydrophobicContact CB-CE2 3.62Å; F198-P230 HydrophobicContact CB-CB 4.2Å; F198-P230 HydrophobicContact CD1-CB 4.46Å; F198-Q231 WeakPolarHBondContact CA-O 3.5Å; F198-M232 HydrophobicContact CD1-CB 4.16Å; F198-M232 VanDerWaalsContact CD1-N 3.27Å; F198-M232 HydrophobicContact CE1-CB 3.84Å; F198-M232 HydrophobicContact CE2-CB 4.34Å; F198-M232 HydrophobicContact CE2-CG 4.49Å; F198-M232 HydrophobicContact CZ-CB 3.94Å; F198-M232 HydrophobicContact CZ-CG 4.47Å |
| 199 | T | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.6 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | I188 V189 L208 R210 P230 Q231 V233 F263 | I188-T199 VanDerWaalsContact O-CA 3.32Å; I188-T199 WeakPolarHBondContact O-CA 3.49Å; V189-T199 HydrophobicContact CG1-CG2 4.46Å; V189-T199 HydrophobicContact CG2-CG2 4.09Å; T199-L208 PolarHBondContact OG1-O 3.25Å; T199-R210 VanDerWaalsContact O-CZ 3.3Å; T199-R210 PolarHBondContact O-NE 2.95Å; T199-R210 PolarHBondContact O-NH2 3.17Å; T199-R210 VanDerWaalsContact OG1-CD 3.3Å; T199-R210 WeakPolarHBondContact OG1-CD 3.47Å; T199-R210 PolarHBondContact OG1-NE 3.41Å; T199-P230 WeakPolarHBondContact O-CA 3.49Å; T199-Q231 PolarHBondContact N-O 2.85Å; T199-Q231 PolarHBondContact O-N 2.82Å; T199-V233 HydrophobicContact CG2-CG2 3.52Å; T199-F263 HydrophobicContact CG2-CE2 4.36Å; T199-F263 HydrophobicContact CG2-CZ 4.41Å |
| 200 | S | 98.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 156.7 | 174.7 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | H187 I188 L227 L228 | H187-S200 CarbonylContact C-O 3.59Å; H187-S200 WeakPolarHBondContact CA-O 3.43Å; I188-S200 PolarHBondContact N-O 3.15Å; I188-S200 PolarHBondContact O-N 2.98Å; S200-L227 WeakPolarHBondContact CA-O 3.19Å; S200-L227 PolarHBondContact OG-O 3.31Å; S200-L228 VanDerWaalsContact OG-CA 3.32Å; S200-L228 WeakPolarHBondContact OG-CA 3.15Å; S200-L228 PolarHBondContact OG-O 2.78Å |
| 201 | G | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.6 | -147.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F150 D186 L227 | F150-G201 VanDerWaalsContact CD2-CA 3.46Å; D186-G201 CarbonylContact O-C 3.54Å; D186-G201 WeakPolarHBondContact O-CA 3.27Å; G201-L227 PolarHBondContact N-O 3.02Å; G201-L227 WeakPolarHBondContact O-CB 3.23Å |
| 202 | S | 95.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 4% | 0.035 | 11% | 0.111 | C | C | . | . | trans | -68.2 | 142.8 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | R151 D186 Q207 L208 | R151-S202 VanDerWaalsContact O-CB 3.31Å; R151-S202 WeakPolarHBondContact O-CB 3.49Å; D186-S202 WeakPolarHBondContact O-CB 3.35Å; D186-S202 PolarHBondContact O-N 2.76Å; S202-Q207 VanDerWaalsContact O-CG 3.22Å; S202-Q207 WeakPolarHBondContact O-CG 3.36Å; S202-Q207 PolarHBondContact O-NE2 3Å; S202-L208 WeakPolarHBondContact O-CD2 3.15Å; S202-L208 WeakPolarHBondContact O-CG 3.42Å | ||
| 203 | A | 94.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | trans | -125.4 | 5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q205 G206 L208 V211 S216 L227 | A203-Q205 PolarHBondContact O-N 2.85Å; A203-G206 PolarHBondContact O-N 3.48Å; A203-L208 HydrophobicContact CB-CB 4.42Å; A203-L208 HydrophobicContact CB-CD1 3.64Å; A203-L208 HydrophobicContact CB-CG 3.79Å; A203-V211 HydrophobicContact CB-CB 4.39Å; A203-S216 WeakPolarHBondContact O-CB 2.99Å; A203-S216 PolarHBondContact O-OG 2.87Å; A203-L227 HydrophobicContact CB-CD1 4.16Å; A203-L227 HydrophobicContact CB-CD2 4.07Å | ||
| 204 | E | 91.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 25.7 Ų | 25.7 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.4 | -171.4 | -70.2 | -167.8 | 145.4 | 0 | 0 | 112.9 | D152 N153 | D152-E204 HydrophobicContact CB-CG 4.16Å; N153-E204 VanDerWaalsContact CB-OE2 3.28Å; N153-E204 WeakPolarHBondContact CB-OE2 3.44Å; N153-E204 PolarHBondContact N-OE2 3.43Å; N153-E204 PolarHBondContact ND2-OE2 3.46Å |
| 205 | Q | 94.8 | Very high | 93.7 | Very high | 38 Ų | 38 | 27.3 Ų | 27.3 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 2.8 | -179.5 | -49.2 | -56.9 | -32.8 | 0 | 0 | 112.6 | A203 G264 L265 M278 | A203-Q205 PolarHBondContact O-N 2.85Å; Q205-G264 CarbonylContact O-C 3.53Å; Q205-G264 WeakPolarHBondContact O-CA 3.37Å; Q205-L265 HydrophobicContact CB-CB 4.01Å; Q205-L265 PolarHBondContact O-N 3.13Å; Q205-M278 PolarHBondContact OE1-SD 2.91Å |
| 206 | G | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 85.1 | 7.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A203 L208 G209 | A203-G206 PolarHBondContact O-N 3.48Å; G206-L208 PolarHBondContact O-N 3.13Å; G206-G209 PolarHBondContact O-N 3.37Å |
| 207 | Q | 97.6 | Very high | 91 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -7 | -175.5 | 68.2 | -88.4 | 48.8 | 0 | 0 | 114.9 | H187 S202 Y249 T251 F263 | H187-Q207 HydrophobicContact CB-CG 3.8Å; H187-Q207 PolarHBondContact CD2-O 3.48Å; S202-Q207 VanDerWaalsContact O-CG 3.22Å; S202-Q207 WeakPolarHBondContact O-CG 3.36Å; S202-Q207 PolarHBondContact O-NE2 3Å; Q207-Y249 WeakPolarHBondContact CB-O 3.4Å; Q207-T251 PolarHBondContact O-OG1 3.28Å; Q207-F263 VanDerWaalsContact O-CE2 3.29Å; Q207-F263 WeakPolarHBondContact O-CE2 3.12Å |
| 208 | L | 97.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -19.9 | 169 | -57.7 | -168.6 | 0 | 0 | 0 | 113.4 | H187 T199 S202 A203 G206 R210 V211 L227 V233 | H187-L208 HydrophobicContact CB-CD2 3.99Å; T199-L208 PolarHBondContact OG1-O 3.25Å; S202-L208 WeakPolarHBondContact O-CD2 3.15Å; S202-L208 WeakPolarHBondContact O-CG 3.42Å; A203-L208 HydrophobicContact CB-CB 4.42Å; A203-L208 HydrophobicContact CB-CD1 3.64Å; A203-L208 HydrophobicContact CB-CG 3.79Å; G206-L208 PolarHBondContact O-N 3.13Å; L208-R210 HydrophobicContact CB-CG 4.12Å; L208-R210 PolarHBondContact O-N 3.09Å; L208-V211 HydrophobicContact CD1-CG2 4.3Å; L208-L227 HydrophobicContact CD1-CB 4.29Å; L208-L227 HydrophobicContact CD1-CD2 4.16Å; L208-V233 WeakPolarHBondContact O-CG2 3.49Å |
| 209 | G | 96.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 62.2 | 8.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G206 F280 P282 | G206-G209 PolarHBondContact O-N 3.37Å; G209-F280 CarbonylContact C-O 3.6Å; G209-F280 WeakPolarHBondContact CA-O 3.35Å; G209-P282 VanDerWaalsContact O-CD 3.26Å; G209-P282 WeakPolarHBondContact O-CD 3.36Å |
| 210 | R | 95.5 | Very high | 85 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -133.9 | 4 | -173.3 | 69.7 | -179.4 | 173.7 | 78.1 | -3.1 | 113.7 | T199 L208 R226 L227 I229 Q231 V233 | T199-R210 VanDerWaalsContact O-CZ 3.3Å; T199-R210 PolarHBondContact O-NE 2.95Å; T199-R210 PolarHBondContact O-NH2 3.17Å; T199-R210 VanDerWaalsContact OG1-CD 3.3Å; T199-R210 WeakPolarHBondContact OG1-CD 3.47Å; T199-R210 PolarHBondContact OG1-NE 3.41Å; L208-R210 HydrophobicContact CB-CG 4.12Å; L208-R210 PolarHBondContact O-N 3.09Å; R210-R226 PolarHBondContact NH1-O 3.24Å; R210-R226 PolarHBondContact NH2-O 3.43Å; R210-R226 VanDerWaalsContact NH2-O 3.17Å; R210-L227 PolarHBondContact NH2-O 2.89Å; R210-I229 PolarHBondContact NH2-O 3.48Å; R210-Q231 VanDerWaalsContact CD-O 3.27Å; R210-Q231 WeakPolarHBondContact CD-O 3.39Å; R210-Q231 PolarHBondContact NE-O 2.84Å; R210-V233 HydrophobicContact CB-CG2 4.49Å |
| 211 | V | 91.9 | Very high | 83.8 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -128.7 | 113.1 | -175.9 | -175 | 0 | 0 | 0 | 0 | 107.5 | A203 L208 F215 L227 | A203-V211 HydrophobicContact CB-CB 4.39Å; L208-V211 HydrophobicContact CD1-CG2 4.3Å; V211-F215 HydrophobicContact CG1-CB 3.7Å; V211-L227 HydrophobicContact CB-CD2 4.4Å; V211-L227 HydrophobicContact CG1-CD2 4.09Å; V211-L227 HydrophobicContact CG2-CD2 3.7Å |
| 212 | P | 87.1 | Confident | 82.5 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | trans | -61.3 | 150.5 | 178.2 | -21.5 | 31.6 | 0 | 0 | 0 | 111.9 | H214 F215 S216 | P212-H214 PolarHBondContact O-N 2.87Å; P212-F215 HydrophobicContact CB-CD2 4.26Å; P212-F215 HydrophobicContact CG-CD2 4.23Å; P212-F215 PolarHBondContact O-N 3.03Å; P212-S216 PolarHBondContact O-N 3.43Å | ||
| 213 | E | 86.7 | Confident | 81.8 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -45.5 | -43.9 | -179.9 | -175.1 | 176.2 | -167 | 0 | 0 | 113.8 | F215 S216 N217 F280 | E213-F215 PolarHBondContact O-N 3.13Å; E213-S216 PolarHBondContact O-N 2.6Å; E213-N217 VanDerWaalsContact CG-ND2 3.29Å; E213-N217 WeakPolarHBondContact CG-ND2 3.34Å; E213-N217 PolarHBondContact O-N 2.75Å; E213-N217 PolarHBondContact OE1-ND2 3.2Å; E213-N217 VanDerWaalsContact OE1-ND2 3.13Å; E213-F280 HydrophobicContact CB-CD1 4.16Å; E213-F280 HydrophobicContact CB-CD2 3.6Å; E213-F280 HydrophobicContact CB-CE1 4.18Å; E213-F280 HydrophobicContact CB-CE2 3.59Å; E213-F280 HydrophobicContact CB-CG 3.89Å; E213-F280 HydrophobicContact CB-CZ 3.91Å; E213-F280 HydrophobicContact CG-CD2 4.1Å; E213-F280 HydrophobicContact CG-CE1 4.35Å; E213-F280 HydrophobicContact CG-CE2 3.54Å; E213-F280 HydrophobicContact CG-CZ 3.7Å |
| 214 | H | 81.1 | Confident | 81.5 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -22.9 | -179.7 | -176.8 | 66.1 | 0 | 0 | 0 | 114.2 | P212 R218 | P212-H214 PolarHBondContact O-N 2.87Å; H214-R218 PolarHBondContact CD2-NH2 2.85Å; H214-R218 PolarHBondContact NE2-NH1 2.87Å; H214-R218 PolarHBondContact NE2-NH2 3.38Å; H214-R218 PolarHBondContact O-NE 2.87Å |
| 215 | F | 76.9 | Confident | 81.3 | Confident | 126 Ų | 126 | 56.6 Ų | 56.6 | 55% | 0.553 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -96.8 | -19.2 | 175.1 | -65.9 | -79 | 0 | 0 | 0 | 112.9 | V211 P212 E213 R218 | V211-F215 HydrophobicContact CG1-CB 3.7Å; P212-F215 HydrophobicContact CB-CD2 4.26Å; P212-F215 HydrophobicContact CG-CD2 4.23Å; P212-F215 PolarHBondContact O-N 3.03Å; E213-F215 PolarHBondContact O-N 3.13Å; F215-R218 VanDerWaalsContact CD1-NH2 3.34Å |
| 216 | S | 72.8 | Confident | 81 | Confident | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83.5 | -42.7 | 176 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | A203 P212 E213 R218 | A203-S216 WeakPolarHBondContact O-CB 2.99Å; A203-S216 PolarHBondContact O-OG 2.87Å; P212-S216 PolarHBondContact O-N 3.43Å; E213-S216 PolarHBondContact O-N 2.6Å; S216-R218 PolarHBondContact O-N 3.15Å |
| 217 | N | 64.2 | Low | 80.9 | Confident | 84 Ų | 84 | 63 Ų | 63 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -86 | 1.6 | -171.7 | -76.9 | -6.3 | 0 | 0 | 0 | 115 | E213 G219 | E213-N217 VanDerWaalsContact CG-ND2 3.29Å; E213-N217 WeakPolarHBondContact CG-ND2 3.34Å; E213-N217 PolarHBondContact O-N 2.75Å; E213-N217 PolarHBondContact OE1-ND2 3.2Å; E213-N217 VanDerWaalsContact OE1-ND2 3.13Å; N217-G219 PolarHBondContact O-N 3.41Å |
| 218 | R | 58.4 | Low | 80.8 | Confident | 135 Ų | 135 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | trans | -73.6 | 2.6 | -170.5 | -102.3 | -167.3 | -84.2 | -169.4 | 1 | 115.3 | H214 F215 S216 G220 | H214-R218 PolarHBondContact CD2-NH2 2.85Å; H214-R218 PolarHBondContact NE2-NH1 2.87Å; H214-R218 PolarHBondContact NE2-NH2 3.38Å; H214-R218 PolarHBondContact O-NE 2.87Å; F215-R218 VanDerWaalsContact CD1-NH2 3.34Å; S216-R218 PolarHBondContact O-N 3.15Å; R218-G220 PolarHBondContact O-N 3.26Å | ||
| 219 | G | 56 | Low | 80.7 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 59.5 | -15 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | N217 | N217-G219 PolarHBondContact O-N 3.41Š|
| 220 | G | 54.4 | Low | 80.7 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -98.4 | 14.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R218 K222 | R218-G220 PolarHBondContact O-N 3.26Å; G220-K222 WeakPolarHBondContact O-CG 3.32Å; G220-K222 PolarHBondContact O-N 3.25Å |
| 221 | R | 72.3 | Confident | 80.8 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | trans | 47.7 | 28.6 | 178.7 | -69.8 | -179.6 | 173.7 | 169.5 | 4.9 | 113.5 | D152 N154 G155 V156 G223 L224 | D152-R221 IonicContact OD1-CZ 3.73Å; D152-R221 IonicContact OD1-NE 3.72Å; D152-R221 IonicContact OD1-NH2 2.86Å; D152-R221 PolarHBondContact OD1-NH2 3.48Å; D152-R221 IonicContact OD2-NE 3.29Å; D152-R221 PolarHBondContact OD2-NE 2.67Å; D152-R221 IonicContact OD2-NH2 3.83Å; N154-R221 PolarHBondContact O-NH2 3.08Å; G155-R221 PolarHBondContact O-NH2 3.34Å; V156-R221 PolarHBondContact O-NH1 2.96Å; R221-G223 PolarHBondContact O-N 2.94Å; R221-L224 HydrophobicContact CB-CD1 3.73Å; R221-L224 HydrophobicContact CB-CD2 4.42Å; R221-L224 HydrophobicContact CB-CG 3.89Å; R221-L224 HydrophobicContact CG-CD1 4.07Å; R221-L224 HydrophobicContact CG-CD2 4.49Å; R221-L224 HydrophobicContact CG-CG 4.4Å; R221-L224 WeakPolarHBondContact O-CG 3.35Å | ||
| 222 | K | 71.5 | Confident | 81 | Confident | 186 Ų | 186 | 70.6 Ų | 70.6 | 81% | 0.809 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 121.4 | -178.6 | -72.1 | -173 | 179.9 | 178.1 | 0 | 108.7 | G220 | G220-K222 WeakPolarHBondContact O-CG 3.32Å; G220-K222 PolarHBondContact O-N 3.25Å |
| 223 | G | 81.2 | Confident | 81.5 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 21.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R221 G225 R226 | R221-G223 PolarHBondContact O-N 2.94Å; G223-G225 PolarHBondContact O-N 3.03Å; G223-G225 VanDerWaalsContact O-N 3.12Å; G223-R226 VanDerWaalsContact O-CB 3.28Å; G223-R226 WeakPolarHBondContact O-CB 3.46Å; G223-R226 PolarHBondContact O-N 3.36Å |
| 224 | L | 87.3 | Confident | 81.6 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -48.5 | -37.5 | 172.8 | -79.4 | -177.9 | 0 | 0 | 0 | 112.9 | I157 P162 M163 R221 R226 L227 L228 | I157-L224 HydrophobicContact CB-CD1 4.09Å; I157-L224 HydrophobicContact CB-CD2 3.91Å; I157-L224 HydrophobicContact CD1-CD2 4.33Å; I157-L224 HydrophobicContact CG2-CD1 4.37Å; I157-L224 HydrophobicContact CG2-CD2 4Å; P162-L224 HydrophobicContact CB-CB 3.99Å; P162-L224 HydrophobicContact CB-CD1 4.13Å; P162-L224 HydrophobicContact CG-CB 3.92Å; M163-L224 HydrophobicContact SD-CD1 4.39Å; R221-L224 HydrophobicContact CB-CD1 3.73Å; R221-L224 HydrophobicContact CB-CD2 4.42Å; R221-L224 HydrophobicContact CB-CG 3.89Å; R221-L224 HydrophobicContact CG-CD1 4.07Å; R221-L224 HydrophobicContact CG-CD2 4.49Å; R221-L224 HydrophobicContact CG-CG 4.4Å; R221-L224 WeakPolarHBondContact O-CG 3.35Å; L224-R226 PolarHBondContact O-N 2.72Å; L224-R226 VanDerWaalsContact O-N 3.09Å; L224-L227 HydrophobicContact CD2-CD1 4.02Å; L224-L227 WeakPolarHBondContact O-CA 3.3Å; L224-L227 WeakPolarHBondContact O-CB 3.22Å; L224-L227 PolarHBondContact O-N 2.59Å; L224-L228 HydrophobicContact CB-CD1 4.26Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 2.85Å |
| 225 | G | 87.4 | Confident | 81.9 | Confident | 32 Ų | 32 | 67 Ų | 67 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.8 | -27.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G223 I229 | G223-G225 PolarHBondContact O-N 3.03Å; G223-G225 VanDerWaalsContact O-N 3.12Å; G225-I229 WeakPolarHBondContact O-CG1 3.31Å; G225-I229 PolarHBondContact O-N 3.46Å |
| 226 | R | 89.4 | Confident | 81.9 | Confident | 151 Ų | 151 | 67.3 Ų | 67.3 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76 | -25.8 | 173.9 | -171.4 | -177.8 | 173.9 | 112.4 | 0.6 | 112.7 | R210 G223 L224 | R210-R226 PolarHBondContact NH1-O 3.24Å; R210-R226 PolarHBondContact NH2-O 3.43Å; R210-R226 VanDerWaalsContact NH2-O 3.17Å; G223-R226 VanDerWaalsContact O-CB 3.28Å; G223-R226 WeakPolarHBondContact O-CB 3.46Å; G223-R226 PolarHBondContact O-N 3.36Å; L224-R226 PolarHBondContact O-N 2.72Å; L224-R226 VanDerWaalsContact O-N 3.09Å |
| 227 | L | 93.6 | Very high | 81.7 | Confident | 24 Ų | 24 | 78.2 Ų | 78.2 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -82.7 | -45.2 | 179 | -51.4 | -171.1 | 0 | 0 | 0 | 110.9 | S200 G201 A203 L208 R210 V211 L224 | S200-L227 WeakPolarHBondContact CA-O 3.19Å; S200-L227 PolarHBondContact OG-O 3.31Å; G201-L227 PolarHBondContact N-O 3.02Å; G201-L227 WeakPolarHBondContact O-CB 3.23Å; A203-L227 HydrophobicContact CB-CD1 4.16Å; A203-L227 HydrophobicContact CB-CD2 4.07Å; L208-L227 HydrophobicContact CD1-CB 4.29Å; L208-L227 HydrophobicContact CD1-CD2 4.16Å; R210-L227 PolarHBondContact NH2-O 2.89Å; V211-L227 HydrophobicContact CB-CD2 4.4Å; V211-L227 HydrophobicContact CG1-CD2 4.09Å; V211-L227 HydrophobicContact CG2-CD2 3.7Å; L224-L227 HydrophobicContact CD2-CD1 4.02Å; L224-L227 WeakPolarHBondContact O-CA 3.3Å; L224-L227 WeakPolarHBondContact O-CB 3.22Å; L224-L227 PolarHBondContact O-N 2.59Å |
| 228 | L | 95.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -78.3 | -23.1 | -172.7 | -62.2 | 176.8 | 0 | 0 | 0 | 114.6 | F150 I157 L159 P162 S200 L224 | F150-L228 HydrophobicContact CD2-CD2 3.86Å; I157-L228 HydrophobicContact CD1-CD2 3.91Å; I157-L228 HydrophobicContact CG1-CD2 4.1Å; I157-L228 WeakPolarHBondContact O-CD1 3.29Å; L159-L228 WeakPolarHBondContact O-CB 3.21Å; P162-L228 HydrophobicContact CB-CD1 4.35Å; P162-L228 HydrophobicContact CG-CD1 4.18Å; S200-L228 VanDerWaalsContact OG-CA 3.32Å; S200-L228 WeakPolarHBondContact OG-CA 3.15Å; S200-L228 PolarHBondContact OG-O 2.78Å; L224-L228 HydrophobicContact CB-CD1 4.26Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 2.85Å |
| 229 | I | 94.4 | Very high | 84.1 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -88.3 | 126.2 | 169.3 | -58.8 | -58.8 | 0 | 0 | 0 | 108.3 | L160 P173 R210 G225 Q231 | L160-I229 VanDerWaalsContact O-CD1 3.3Å; L160-I229 WeakPolarHBondContact O-CD1 3.4Å; P173-I229 HydrophobicContact CG-CD1 4.47Å; R210-I229 PolarHBondContact NH2-O 3.48Å; G225-I229 WeakPolarHBondContact O-CG1 3.31Å; G225-I229 PolarHBondContact O-N 3.46Å; I229-Q231 PolarHBondContact O-N 3.01Å |
| 230 | P | 97.3 | Very high | 86 | Confident | 11 Ų | 11 | 79.1 Ų | 79.1 | 7% | 0.071 | 38% | 0.383 | C | S | . | . | trans | -56.1 | 129.9 | 177.6 | -25.2 | 33.4 | 0 | 0 | 0 | 111.9 | I172 L190 F198 T199 | I172-P230 HydrophobicContact CG2-CG 3.54Å; L190-P230 HydrophobicContact CD1-CB 4.03Å; L190-P230 HydrophobicContact CD1-CG 4.02Å; F198-P230 HydrophobicContact CB-CB 4.2Å; F198-P230 HydrophobicContact CD1-CB 4.46Å; T199-P230 WeakPolarHBondContact O-CA 3.49Å | ||
| 231 | Q | 96.8 | Very high | 88 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.4 | 172.3 | -57.6 | -176.1 | -3.8 | 0 | 0 | 110.1 | F198 T199 R210 I229 V233 | F198-Q231 WeakPolarHBondContact CA-O 3.5Å; T199-Q231 PolarHBondContact N-O 2.85Å; T199-Q231 PolarHBondContact O-N 2.82Å; R210-Q231 VanDerWaalsContact CD-O 3.27Å; R210-Q231 WeakPolarHBondContact CD-O 3.39Å; R210-Q231 PolarHBondContact NE-O 2.84Å; I229-Q231 PolarHBondContact O-N 3.01Å; Q231-V233 PolarHBondContact O-N 2.97Å |
| 232 | M | 96.6 | Very high | 89.2 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 132.6 | -179.9 | -171.5 | 175.5 | 68.5 | 0 | 0 | 111.1 | N196 L197 F198 K234 | N196-M232 HydrophobicContact CB-CG 4.41Å; N196-M232 HydrophobicContact CB-SD 4.09Å; N196-M232 PolarHBondContact OD1-SD 2.95Å; L197-M232 CarbonylContact O-C 3.58Å; L197-M232 WeakPolarHBondContact O-CA 3.3Å; F198-M232 HydrophobicContact CD1-CB 4.16Å; F198-M232 VanDerWaalsContact CD1-N 3.27Å; F198-M232 HydrophobicContact CE1-CB 3.84Å; F198-M232 HydrophobicContact CE2-CB 4.34Å; F198-M232 HydrophobicContact CE2-CG 4.49Å; F198-M232 HydrophobicContact CZ-CB 3.94Å; F198-M232 HydrophobicContact CZ-CG 4.47Å; M232-K234 HydrophobicContact CE-CG 3.96Å; M232-K234 PolarHBondContact O-N 3.31Å |
| 233 | V | 96.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | trans | -72.9 | 106.1 | 167.8 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | L197 T199 L208 R210 Q231 L235 F263 P282 | L197-V233 HydrophobicContact CB-CB 4.4Å; L197-V233 HydrophobicContact CB-CG2 4.5Å; L197-V233 HydrophobicContact CD2-CB 4.49Å; L197-V233 HydrophobicContact CD2-CG2 4.28Å; L197-V233 HydrophobicContact CG-CG2 4.42Å; L197-V233 PolarHBondContact O-N 2.83Å; T199-V233 HydrophobicContact CG2-CG2 3.52Å; L208-V233 WeakPolarHBondContact O-CG2 3.49Å; R210-V233 HydrophobicContact CB-CG2 4.49Å; Q231-V233 PolarHBondContact O-N 2.97Å; V233-L235 HydrophobicContact CG1-CD1 3.94Å; V233-L235 PolarHBondContact O-N 2.87Å; V233-F263 HydrophobicContact CG2-CZ 4.42Å; V233-P282 HydrophobicContact CG1-CG 3.4Å; V233-P282 VanDerWaalsContact CG1-CG 3.4Å | ||
| 234 | K | 90.4 | Very high | 91.3 | Very high | 170 Ų | 170 | 65.1 Ų | 65.1 | 74% | 0.739 | 30% | 0.302 | S | S | * | . | trans | -84.6 | 105.7 | -176.7 | -66.9 | -175.6 | -179.6 | 179.5 | 0 | 110.3 | M232 | M232-K234 HydrophobicContact CE-CG 3.96Å; M232-K234 PolarHBondContact O-N 3.31Å | ||
| 235 | L | 86.3 | Confident | 91.9 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | trans | -95.8 | 175.9 | 157.7 | -71.8 | 87.9 | 0 | 0 | 0 | 109.8 | V233 R237 V239 F241 Y261 P282 | V233-L235 HydrophobicContact CG1-CD1 3.94Å; V233-L235 PolarHBondContact O-N 2.87Å; L235-R237 PolarHBondContact O-N 2.85Å; L235-V239 HydrophobicContact CB-CB 4.11Å; L235-V239 HydrophobicContact CB-CG2 4.24Å; L235-V239 HydrophobicContact CD2-CB 4.41Å; L235-V239 HydrophobicContact CD2-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG2 4.37Å; L235-F241 HydrophobicContact CD1-CE2 3.91Å; L235-F241 HydrophobicContact CD1-CZ 3.67Å; L235-F241 HydrophobicContact CD2-CZ 4.19Å; L235-Y261 HydrophobicContact CD2-CD1 3.51Å; L235-Y261 HydrophobicContact CD2-CE1 3.34Å; L235-Y261 HydrophobicContact CD2-CG 4.2Å; L235-P282 HydrophobicContact CD1-CB 3.92Å; L235-P282 HydrophobicContact CD1-CG 3.64Å; L235-P282 HydrophobicContact CD2-CB 3.97Å; L235-P282 HydrophobicContact CG-CB 4.06Å; L235-P282 HydrophobicContact CG-CG 4.07Å | ||
| 236 | N | 77.1 | Confident | 92.4 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | trans | -46.5 | 137.9 | 170.5 | -167.5 | -1.4 | 0 | 0 | 0 | 110.2 | K238 V239 | N236-K238 PolarHBondContact O-N 3.22Å; N236-V239 PolarHBondContact O-N 3.5Å | ||
| 237 | R | 68.4 | Low | 92.9 | Very high | 242 Ų | 242 | 57.4 Ų | 57.4 | 91% | 0.913 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -9 | -164.1 | -81.4 | -179.1 | 149.9 | 160 | -5.8 | 116.7 | L235 | L235-R237 PolarHBondContact O-N 2.85Š|
| 238 | K | 81.3 | Confident | 93.1 | Very high | 177 Ų | 177 | 56.5 Ų | 56.5 | 77% | 0.77 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -18.4 | -178.5 | -63.4 | -174.9 | 178.4 | -176.9 | 0 | 114.1 | N236 R240 | N236-K238 PolarHBondContact O-N 3.22Å; K238-R240 PolarHBondContact O-N 2.81Å |
| 239 | V | 92.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | trans | -78.5 | 124.5 | -175.1 | -173.3 | 0 | 0 | 0 | 0 | 110 | L235 N236 F241 Y261 | L235-V239 HydrophobicContact CB-CB 4.11Å; L235-V239 HydrophobicContact CB-CG2 4.24Å; L235-V239 HydrophobicContact CD2-CB 4.41Å; L235-V239 HydrophobicContact CD2-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG2 4.37Å; N236-V239 PolarHBondContact O-N 3.5Å; V239-F241 HydrophobicContact CG1-CE1 4.07Å; V239-F241 HydrophobicContact CG1-CE2 4.35Å; V239-F241 HydrophobicContact CG1-CZ 3.9Å; V239-Y261 HydrophobicContact CG1-CE2 4.09Å | ||
| 240 | R | 95.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 56.1 Ų | 56.1 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | trans | -124.3 | 145 | 171.9 | -64 | -59.2 | -160.5 | -165.6 | 15.4 | 108.8 | D194 N196 K238 S255 K256 | D194-R240 WeakPolarHBondContact O-CD 3.37Å; D194-R240 PolarHBondContact O-NE 3.03Å; N196-R240 PolarHBondContact OD1-NH1 3.19Å; K238-R240 PolarHBondContact O-N 2.81Å; R240-S255 CarbonylContact O-C 3.46Å; R240-S255 VanDerWaalsContact O-CA 3.24Å; R240-S255 WeakPolarHBondContact O-CA 3.24Å; R240-K256 HydrophobicContact CB-CD 3.8Å; R240-K256 HydrophobicContact CB-CG 4.03Å; R240-K256 PolarHBondContact O-N 2.86Å | ||
| 241 | F | 97.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 145.9 | -179.4 | -59.9 | -76.4 | 0 | 0 | 0 | 111.7 | L191 G195 L197 L235 V239 A253 V254 Y261 | L191-F241 HydrophobicContact CD1-CB 3.8Å; G195-F241 VanDerWaalsContact CA-O 3.24Å; G195-F241 WeakPolarHBondContact CA-O 3.27Å; G195-F241 PolarHBondContact O-N 2.85Å; L197-F241 HydrophobicContact CB-CD2 3.77Å; L197-F241 HydrophobicContact CB-CE2 4.03Å; L197-F241 HydrophobicContact CD2-CD2 4.42Å; L197-F241 HydrophobicContact CD2-CE2 4.32Å; L235-F241 HydrophobicContact CD1-CE2 3.91Å; L235-F241 HydrophobicContact CD1-CZ 3.67Å; L235-F241 HydrophobicContact CD2-CZ 4.19Å; V239-F241 HydrophobicContact CG1-CE1 4.07Å; V239-F241 HydrophobicContact CG1-CE2 4.35Å; V239-F241 HydrophobicContact CG1-CZ 3.9Å; F241-A253 HydrophobicContact CD1-CB 3.42Å; F241-A253 VanDerWaalsContact CD1-CB 3.42Å; F241-A253 HydrophobicContact CE1-CB 3.52Å; F241-A253 HydrophobicContact CG-CB 4.03Å; F241-A253 HydrophobicContact CZ-CB 4.19Å; F241-V254 CarbonylContact C-O 3.55Å; F241-V254 WeakPolarHBondContact CA-O 3.43Å; F241-Y261 AromaticContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CG 4.21Å |
| 242 | T | 97.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -21.1 | 170.9 | 52.3 | 0 | 0 | 0 | 0 | 112 | H31 V254 K256 | H31-T242 PolarHBondContact NE2-O 3.21Å; T242-V254 PolarHBondContact N-O 3.14Å; T242-V254 PolarHBondContact OG1-O 3.49Å; T242-K256 HydrophobicContact CG2-CB 4.29Å; T242-K256 HydrophobicContact CG2-CG 3.59Å |
| 243 | D | 98.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 159 | 178.9 | -142 | -22.1 | 0 | 0 | 0 | 111.7 | H31 R32 K180 F245 A253 V254 | H31-D243 IonicContact CE1-OD1 3.56Å; R32-D243 IonicContact CZ-OD2 2.74Å; R32-D243 IonicContact NE-OD2 3.76Å; R32-D243 PolarHBondContact NE-OD2 3.36Å; R32-D243 IonicContact NH2-OD2 3.88Å; R32-D243 PolarHBondContact NH2-OD2 3.2Å; K180-D243 WeakPolarHBondContact CD-OD1 3.48Å; K180-D243 WeakPolarHBondContact CE-OD1 3.33Å; K180-D243 IonicContact NZ-OD1 3.33Å; K180-D243 PolarHBondContact NZ-OD1 3Å; K180-D243 IonicContact NZ-OD2 3.66Å; D243-F245 HydrophobicContact CB-CE2 3.87Å; D243-F245 HydrophobicContact CB-CZ 4.12Å; D243-F245 VanDerWaalsContact CG-CZ 3.44Å; D243-F245 VanDerWaalsContact OD2-CZ 3.28Å; D243-F245 WeakPolarHBondContact OD2-CZ 3.38Å; D243-A253 CarbonylContact O-C 3.55Å; D243-A253 WeakPolarHBondContact O-CA 3.22Å; D243-V254 HydrophobicContact CB-CB 4.24Å; D243-V254 HydrophobicContact CB-CG2 4.47Å; D243-V254 PolarHBondContact N-O 2.74Å; D243-V254 PolarHBondContact O-N 2.9Å |
| 244 | A | 98.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K180 V189 L197 F252 | K180-A244 WeakPolarHBondContact CE-O 3.31Å; K180-A244 PolarHBondContact NZ-O 2.91Å; V189-A244 HydrophobicContact CG1-CB 3.9Å; L197-A244 HydrophobicContact CD1-CB 3.61Å; A244-F252 CarbonylContact C-O 3.52Å; A244-F252 WeakPolarHBondContact CA-O 3.43Å |
| 245 | F | 98.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.8 | -176.2 | -51.9 | -91.4 | 0 | 0 | 0 | 109.5 | K180 D243 T251 F252 V254 D297 F298 | K180-F245 VanDerWaalsContact NZ-CE1 3.3Å; D243-F245 HydrophobicContact CB-CE2 3.87Å; D243-F245 HydrophobicContact CB-CZ 4.12Å; D243-F245 VanDerWaalsContact CG-CZ 3.44Å; D243-F245 VanDerWaalsContact OD2-CZ 3.28Å; D243-F245 WeakPolarHBondContact OD2-CZ 3.38Å; F245-T251 WeakPolarHBondContact O-CA 3.28Å; F245-T251 WeakPolarHBondContact O-CG2 3.21Å; F245-F252 HydrophobicContact CB-CB 4.46Å; F245-F252 PolarHBondContact N-O 2.94Å; F245-F252 PolarHBondContact O-N 2.99Å; F245-V254 HydrophobicContact CE2-CG2 4.1Å; F245-D297 WeakPolarHBondContact CE1-OD1 3.46Å; F245-F298 HydrophobicContact CB-CB 3.79Å; F245-F298 HydrophobicContact CD1-CB 4.27Å; F245-F298 WeakPolarHBondContact CD1-O 3.29Å; F245-F298 HydrophobicContact CD2-CB 3.92Å; F245-F298 AromaticContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CG 4.25Å; F245-F298 AromaticContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CG-CB 3.75Å; F245-F298 HydrophobicContact CG-CD2 4.43Å |
| 246 | C | 98.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.2 | 176.8 | -70 | 0 | 0 | 0 | 0 | 109.4 | A182 S183 H187 V189 | A182-C246 HydrophobicContact CB-CB 4.41Å; S183-C246 VanDerWaalsContact O-CB 3.31Å; S183-C246 WeakPolarHBondContact O-CB 3.36Å; H187-C246 PolarHBondContact NE2-SG 2.84Å; V189-C246 WeakPolarHBondContact CG2-SG 3.42Å |
| 247 | G | 98.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -91.5 | -170.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G184 Y249 F250 G300 | G184-G247 WeakPolarHBondContact CA-O 3.47Å; G247-Y249 PolarHBondContact O-N 3.12Å; G247-F250 PolarHBondContact N-O 2.67Å; G247-G300 WeakPolarHBondContact CA-O 3.31Å | ||
| 248 | A | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -57.1 | -49.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | N185 G300 G301 Q302 | N185-A248 PolarHBondContact N-O 3.18Å; N185-A248 WeakPolarHBondContact OD1-CA 3.42Å; N185-A248 WeakPolarHBondContact OD1-CB 3.4Å; A248-G300 PolarHBondContact N-O 3.03Å; A248-G301 VanDerWaalsContact CB-O 3.24Å; A248-G301 WeakPolarHBondContact CB-O 3.31Å; A248-G301 PolarHBondContact N-O 3.02Å; A248-Q302 HydrophobicContact CB-CG 4.26Å |
| 249 | Y | 98.5 | Very high | 96.5 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 22% | 0.216 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -128.2 | 23.6 | -172.7 | -52.1 | -66 | 0 | 0 | 0 | 113.1 | N185 Q207 G247 G264 L265 Q302 | N185-Y249 HydrophobicContact CB-CD1 4.43Å; N185-Y249 HydrophobicContact CB-CE1 3.92Å; Q207-Y249 WeakPolarHBondContact CB-O 3.4Å; G247-Y249 PolarHBondContact O-N 3.12Å; Y249-G264 WeakPolarHBondContact O-CA 3.45Å; Y249-L265 HydrophobicContact CD2-CD2 3.91Å; Y249-L265 HydrophobicContact CG-CD2 4.32Å; Y249-L265 PolarHBondContact O-N 3.2Å; Y249-Q302 HydrophobicContact CE2-CB 4.21Å; Y249-Q302 HydrophobicContact CE2-CG 4.04Å |
| 250 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 161.6 | -178.9 | 54.9 | -89.9 | 0 | 0 | 0 | 111.4 | G247 F252 F263 Q270 L271 G301 T305 | G247-F250 PolarHBondContact N-O 2.67Å; F250-F252 HydrophobicContact CD2-CD2 4.23Å; F250-F252 AromaticContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CZ 4.28Å; F250-F252 HydrophobicContact CE2-CD2 4.25Å; F250-F252 AromaticContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CZ 4.24Å; F250-F263 CarbonylContact C-O 3.53Å; F250-F263 WeakPolarHBondContact CA-O 3.13Å; F250-F263 WeakPolarHBondContact CB-O 3.42Å; F250-Q270 HydrophobicContact CD1-CG 3.9Å; F250-Q270 HydrophobicContact CE1-CB 4.3Å; F250-Q270 HydrophobicContact CE1-CG 3.54Å; F250-Q270 HydrophobicContact CZ-CB 4.36Å; F250-Q270 HydrophobicContact CZ-CG 4.06Å; F250-L271 HydrophobicContact CB-CD1 4.31Å; F250-L271 HydrophobicContact CB-CD2 3.8Å; F250-L271 HydrophobicContact CB-CG 4.02Å; F250-L271 HydrophobicContact CD2-CD2 3.92Å; F250-L271 HydrophobicContact CG-CD2 4.11Å; F250-L271 HydrophobicContact CG-CG 4.33Å; F250-G301 WeakPolarHBondContact CE1-O 3.22Å; F250-T305 VanDerWaalsContact CE2-OG1 3.24Å; F250-T305 WeakPolarHBondContact CE2-OG1 3.26Å; F250-T305 WeakPolarHBondContact CZ-OG1 3.32Å |
| 251 | T | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.7 | -178.1 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | H187 V189 Q207 F245 G262 F263 | H187-T251 PolarHBondContact CD2-OG1 3.24Å; H187-T251 PolarHBondContact NE2-OG1 3.27Å; V189-T251 HydrophobicContact CG1-CG2 4.33Å; V189-T251 HydrophobicContact CG2-CG2 3.65Å; Q207-T251 PolarHBondContact O-OG1 3.28Å; F245-T251 WeakPolarHBondContact O-CA 3.28Å; F245-T251 WeakPolarHBondContact O-CG2 3.21Å; T251-G262 VanDerWaalsContact O-CA 3.26Å; T251-G262 WeakPolarHBondContact O-CA 3.2Å; T251-F263 HydrophobicContact CG2-CE1 4.11Å; T251-F263 HydrophobicContact CG2-CE2 3.81Å; T251-F263 HydrophobicContact CG2-CZ 3.48Å; T251-F263 VanDerWaalsContact CG2-CZ 3.48Å; T251-F263 PolarHBondContact N-O 2.9Å; T251-F263 PolarHBondContact O-N 2.9Å; T251-F263 VanDerWaalsContact O-N 3.09Å; T251-F263 WeakPolarHBondContact OG1-CE2 3.31Å |
| 252 | F | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.3 | 164.4 | -66.6 | -72 | 0 | 0 | 0 | 110.5 | A244 F245 F250 V260 Y261 L271 L285 F288 F298 T305 | A244-F252 CarbonylContact C-O 3.52Å; A244-F252 WeakPolarHBondContact CA-O 3.43Å; F245-F252 HydrophobicContact CB-CB 4.46Å; F245-F252 PolarHBondContact N-O 2.94Å; F245-F252 PolarHBondContact O-N 2.99Å; F250-F252 HydrophobicContact CD2-CD2 4.23Å; F250-F252 AromaticContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CZ 4.28Å; F250-F252 HydrophobicContact CE2-CD2 4.25Å; F250-F252 AromaticContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CZ 4.24Å; F252-V260 HydrophobicContact CD1-CG1 4.01Å; F252-Y261 CarbonylContact C-O 3.54Å; F252-Y261 VanDerWaalsContact CA-O 3.3Å; F252-Y261 WeakPolarHBondContact CA-O 3.29Å; F252-L271 HydrophobicContact CD1-CD2 4.28Å; F252-L271 HydrophobicContact CE1-CD2 3.67Å; F252-L271 HydrophobicContact CE2-CD2 4.49Å; F252-L271 HydrophobicContact CZ-CD2 3.8Å; F252-L285 HydrophobicContact CD1-CD1 3.81Å; F252-L285 HydrophobicContact CE1-CD1 3.48Å; F252-L285 VanDerWaalsContact CE1-CD1 3.48Å; F252-F288 HydrophobicContact CE1-CE2 4.07Å; F252-F288 HydrophobicContact CE1-CZ 4.42Å; F252-F298 HydrophobicContact CB-CG 4.4Å; F252-F298 HydrophobicContact CD1-CD1 4.49Å; F252-F298 HydrophobicContact CD2-CB 4.08Å; F252-F298 AromaticContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CG 4.19Å; F252-F298 HydrophobicContact CE2-CD1 4.08Å; F252-F298 HydrophobicContact CG-CD1 4.06Å; F252-F298 HydrophobicContact CG-CG 4.38Å; F252-T305 HydrophobicContact CE2-CG2 3.59Å; F252-T305 HydrophobicContact CZ-CG2 3.97Å |
| 253 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 133.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L197 F241 D243 Y261 | L197-A253 HydrophobicContact CD2-CB 3.84Å; F241-A253 HydrophobicContact CD1-CB 3.42Å; F241-A253 VanDerWaalsContact CD1-CB 3.42Å; F241-A253 HydrophobicContact CE1-CB 3.52Å; F241-A253 HydrophobicContact CG-CB 4.03Å; F241-A253 HydrophobicContact CZ-CB 4.19Å; D243-A253 CarbonylContact O-C 3.55Å; D243-A253 WeakPolarHBondContact O-CA 3.22Å; A253-Y261 PolarHBondContact N-O 3.01Å; A253-Y261 PolarHBondContact O-N 2.85Å |
| 254 | V | 96.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 7% | 0.073 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.5 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | F241 T242 D243 F245 F298 | F241-V254 CarbonylContact C-O 3.55Å; F241-V254 WeakPolarHBondContact CA-O 3.43Å; T242-V254 PolarHBondContact N-O 3.14Å; T242-V254 PolarHBondContact OG1-O 3.49Å; D243-V254 HydrophobicContact CB-CB 4.24Å; D243-V254 HydrophobicContact CB-CG2 4.47Å; D243-V254 PolarHBondContact N-O 2.74Å; D243-V254 PolarHBondContact O-N 2.9Å; F245-V254 HydrophobicContact CE2-CG2 4.1Å; V254-F298 HydrophobicContact CG2-CE2 4.25Å |
| 255 | S | 95.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 163.6 | -179.3 | 89 | 0 | 0 | 0 | 0 | 112.6 | R240 E257 G258 Y259 | R240-S255 CarbonylContact O-C 3.46Å; R240-S255 VanDerWaalsContact O-CA 3.24Å; R240-S255 WeakPolarHBondContact O-CA 3.24Å; S255-E257 VanDerWaalsContact CB-OE2 3.28Å; S255-E257 WeakPolarHBondContact CB-OE2 3.49Å; S255-E257 PolarHBondContact O-N 3.01Å; S255-E257 PolarHBondContact OG-N 2.87Å; S255-E257 PolarHBondContact OG-OE2 3.36Å; S255-G258 WeakPolarHBondContact O-CA 3.4Å; S255-G258 PolarHBondContact O-N 3.23Å; S255-Y259 PolarHBondContact N-O 3.3Å; S255-Y259 PolarHBondContact OG-N 2.78Å |
| 256 | K | 92.5 | Very high | 96.9 | Very high | 133 Ų | 133 | 24 Ų | 24 | 58% | 0.578 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.1 | 173.6 | -74.9 | -171.5 | 179.9 | -176.5 | 0 | 113.3 | R240 T242 G258 | R240-K256 HydrophobicContact CB-CD 3.8Å; R240-K256 HydrophobicContact CB-CG 4.03Å; R240-K256 PolarHBondContact O-N 2.86Å; T242-K256 HydrophobicContact CG2-CB 4.29Å; T242-K256 HydrophobicContact CG2-CG 3.59Å; K256-G258 VanDerWaalsContact C-N 3.26Å |
| 257 | E | 90.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 26.2 Ų | 26.2 | 48% | 0.477 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.2 | 175.2 | -53.6 | 78.9 | -172.6 | 0 | 0 | 113.2 | S255 Y259 | S255-E257 VanDerWaalsContact CB-OE2 3.28Å; S255-E257 WeakPolarHBondContact CB-OE2 3.49Å; S255-E257 PolarHBondContact O-N 3.01Å; S255-E257 PolarHBondContact OG-N 2.87Å; S255-E257 PolarHBondContact OG-OE2 3.36Å; E257-Y259 VanDerWaalsContact C-N 3.34Å; E257-Y259 HydrophobicContact CB-CD2 3.72Å; E257-Y259 HydrophobicContact CB-CE2 3.68Å; E257-Y259 HydrophobicContact CG-CE2 4.41Å |
| 258 | G | 90.7 | Very high | 96.8 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 53% | 0.526 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 79.8 | 11 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S255 K256 | S255-G258 WeakPolarHBondContact O-CA 3.4Å; S255-G258 PolarHBondContact O-N 3.23Å; K256-G258 VanDerWaalsContact C-N 3.26Å |
| 259 | Y | 93.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 30.3 Ų | 30.3 | 32% | 0.322 | 15% | 0.149 | S | C | . | . | trans | -81.6 | 135.7 | 176.3 | -60.5 | -52.2 | 0 | 0 | 0 | 111.3 | S255 E257 K284 | S255-Y259 PolarHBondContact N-O 3.3Å; S255-Y259 PolarHBondContact OG-N 2.78Å; E257-Y259 VanDerWaalsContact C-N 3.34Å; E257-Y259 HydrophobicContact CB-CD2 3.72Å; E257-Y259 HydrophobicContact CB-CE2 3.68Å; E257-Y259 HydrophobicContact CG-CE2 4.41Å; Y259-K284 VanDerWaalsContact CD1-NZ 3.27Å; Y259-K284 VanDerWaalsContact CD2-NZ 3.3Å; Y259-K284 HydrophobicContact CG-CD 4.35Å | ||
| 260 | V | 96.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.3 | 172.6 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | F252 L285 F288 W295 F298 | F252-V260 HydrophobicContact CD1-CG1 4.01Å; V260-L285 HydrophobicContact CG1-CD1 4.33Å; V260-L285 PolarHBondContact O-N 2.79Å; V260-F288 HydrophobicContact CB-CB 3.91Å; V260-F288 HydrophobicContact CB-CD2 4.29Å; V260-F288 HydrophobicContact CB-CG 4.24Å; V260-F288 HydrophobicContact CG1-CB 4.5Å; V260-F288 HydrophobicContact CG1-CD2 4.07Å; V260-F288 HydrophobicContact CG1-CG 4.29Å; V260-F288 HydrophobicContact CG2-CB 3.78Å; V260-F288 HydrophobicContact CG2-CG 4.27Å; V260-W295 HydrophobicContact CG2-CG 4.44Å; V260-F298 HydrophobicContact CG1-CE1 4.27Å; V260-F298 HydrophobicContact CG1-CE2 4.46Å; V260-F298 HydrophobicContact CG1-CZ 3.88Å; V260-F298 HydrophobicContact CG2-CE2 4.37Å; V260-F298 HydrophobicContact CG2-CZ 3.92Å |
| 261 | Y | 97.6 | Very high | 96.7 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 11% | 0.114 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.3 | 170.1 | -71.8 | -97.5 | 0 | 0 | 0 | 109.5 | L235 V239 F241 F252 A253 P282 V283 K284 | L235-Y261 HydrophobicContact CD2-CD1 3.51Å; L235-Y261 HydrophobicContact CD2-CE1 3.34Å; L235-Y261 HydrophobicContact CD2-CG 4.2Å; V239-Y261 HydrophobicContact CG1-CE2 4.09Å; F241-Y261 AromaticContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CG 4.21Å; F252-Y261 CarbonylContact C-O 3.54Å; F252-Y261 VanDerWaalsContact CA-O 3.3Å; F252-Y261 WeakPolarHBondContact CA-O 3.29Å; A253-Y261 PolarHBondContact N-O 3.01Å; A253-Y261 PolarHBondContact O-N 2.85Å; Y261-P282 HydrophobicContact CD1-CB 4.24Å; Y261-V283 CarbonylContact C-O 3.59Å; Y261-V283 VanDerWaalsContact CA-O 3.23Å; Y261-V283 WeakPolarHBondContact CA-O 3.49Å; Y261-K284 HydrophobicContact CD1-CB 4.12Å; Y261-K284 HydrophobicContact CE1-CB 3.74Å; Y261-K284 HydrophobicContact CE1-CG 4.41Å |
| 262 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 152.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T251 V283 | T251-G262 VanDerWaalsContact O-CA 3.26Å; T251-G262 WeakPolarHBondContact O-CA 3.2Å; G262-V283 PolarHBondContact N-O 2.71Å; G262-V283 PolarHBondContact O-N 3.14Å |
| 263 | F | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 153.9 | 176.3 | 47.7 | -89.8 | 0 | 0 | 0 | 110.4 | L197 T199 Q207 V233 F250 T251 C279 P282 | L197-F263 HydrophobicContact CD2-CE1 4.21Å; L197-F263 HydrophobicContact CD2-CZ 3.97Å; T199-F263 HydrophobicContact CG2-CE2 4.36Å; T199-F263 HydrophobicContact CG2-CZ 4.41Å; Q207-F263 VanDerWaalsContact O-CE2 3.29Å; Q207-F263 WeakPolarHBondContact O-CE2 3.12Å; V233-F263 HydrophobicContact CG2-CZ 4.42Å; F250-F263 CarbonylContact C-O 3.53Å; F250-F263 WeakPolarHBondContact CA-O 3.13Å; F250-F263 WeakPolarHBondContact CB-O 3.42Å; T251-F263 HydrophobicContact CG2-CE1 4.11Å; T251-F263 HydrophobicContact CG2-CE2 3.81Å; T251-F263 HydrophobicContact CG2-CZ 3.48Å; T251-F263 VanDerWaalsContact CG2-CZ 3.48Å; T251-F263 PolarHBondContact N-O 2.9Å; T251-F263 PolarHBondContact O-N 2.9Å; T251-F263 VanDerWaalsContact O-N 3.09Å; T251-F263 WeakPolarHBondContact OG1-CE2 3.31Å; F263-C279 CarbonylContact C-O 3.52Å; F263-C279 WeakPolarHBondContact CA-O 3.48Å; F263-C279 HydrophobicContact CB-CB 4.48Å; F263-C279 WeakPolarHBondContact CB-O 3.43Å; F263-P282 HydrophobicContact CD1-CB 3.72Å; F263-P282 HydrophobicContact CD1-CG 3.78Å; F263-P282 HydrophobicContact CE1-CB 4.2Å; F263-P282 HydrophobicContact CE1-CG 4.06Å; F263-P282 HydrophobicContact CG-CG 4.5Å |
| 264 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.2 | -156.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q205 Y249 L271 C279 | Q205-G264 CarbonylContact O-C 3.53Å; Q205-G264 WeakPolarHBondContact O-CA 3.37Å; Y249-G264 WeakPolarHBondContact O-CA 3.45Å; G264-L271 WeakPolarHBondContact O-CD1 3.21Å; G264-C279 PolarHBondContact N-O 3.2Å; G264-C279 PolarHBondContact O-N 2.87Å |
| 265 | L | 97.9 | Very high | 96 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | trans | -66.5 | 134.1 | -178.8 | -172.7 | 61.2 | 0 | 0 | 0 | 111.9 | Q205 Y249 N267 L271 M278 | Q205-L265 HydrophobicContact CB-CB 4.01Å; Q205-L265 PolarHBondContact O-N 3.13Å; Y249-L265 HydrophobicContact CD2-CD2 3.91Å; Y249-L265 HydrophobicContact CG-CD2 4.32Å; Y249-L265 PolarHBondContact O-N 3.2Å; L265-N267 HydrophobicContact CD1-CB 3.92Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.31Å; L265-N267 HydrophobicContact CG-CB 4.48Å; L265-N267 WeakPolarHBondContact CG-OD1 3.41Å; L265-L271 WeakPolarHBondContact O-CG 3.32Å; L265-M278 HydrophobicContact CD1-CG 4.08Å | ||
| 266 | S | 98 | Very high | 96 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -139.1 | 28.6 | 172.9 | -153.6 | 0 | 0 | 0 | 0 | 112.9 | Y268 H269 L271 T273 T276 | S266-Y268 PolarHBondContact O-N 2.62Å; S266-Y268 VanDerWaalsContact O-N 3.07Å; S266-H269 PolarHBondContact O-N 2.86Å; S266-L271 PolarHBondContact OG-N 2.91Å; S266-T273 WeakPolarHBondContact CB-OG1 3.24Å; S266-T273 PolarHBondContact OG-OG1 2.93Å; S266-T276 CarbonylContact O-C 3.6Å; S266-T276 WeakPolarHBondContact O-CA 3.32Å | ||
| 267 | N | 97.9 | Very high | 96.1 | Very high | 64 Ų | 64 | 39 Ų | 39 | 34% | 0.342 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.4 | -175.2 | 63.1 | -23.2 | 0 | 0 | 0 | 114.7 | L265 Q270 T276 | L265-N267 HydrophobicContact CD1-CB 3.92Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.31Å; L265-N267 HydrophobicContact CG-CB 4.48Å; L265-N267 WeakPolarHBondContact CG-OD1 3.41Å; N267-Q270 PolarHBondContact OD1-NE2 3.41Å; N267-T276 WeakPolarHBondContact O-CG2 3.49Å |
| 268 | Y | 98.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 37 Ų | 37 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 27.4 | 173.4 | -71.2 | -79.7 | 0 | 0 | 0 | 111.4 | S266 Q270 H303 G318 R319 E333 | S266-Y268 PolarHBondContact O-N 2.62Å; S266-Y268 VanDerWaalsContact O-N 3.07Å; Y268-Q270 VanDerWaalsContact C-OE1 3.29Å; Y268-Q270 PolarHBondContact O-N 3.41Å; Y268-Q270 VanDerWaalsContact O-N 3.14Å; Y268-H303 HydrophobicContact CD2-CB 3.83Å; Y268-H303 AromaticContact CD2-CG 3.7Å; Y268-H303 AromaticContact CD2-ND1 3.6Å; Y268-H303 AromaticContact CE2-ND1 3.97Å; Y268-H303 HydrophobicContact CG-CB 4.31Å; Y268-G318 CarbonylContact O-C 2.97Å; Y268-G318 VanDerWaalsContact O-C 3.23Å; Y268-G318 WeakPolarHBondContact O-CA 3.35Å; Y268-R319 HydrophobicContact CD1-CB 3.83Å; Y268-R319 HydrophobicContact CD1-CG 3.74Å; Y268-R319 HydrophobicContact CD2-CB 4.43Å; Y268-R319 HydrophobicContact CE1-CG 3.94Å; Y268-R319 HydrophobicContact CG-CB 3.78Å; Y268-R319 HydrophobicContact CG-CG 4.11Å; Y268-E333 WeakPolarHBondContact CD1-OE1 3.44Å; Y268-E333 WeakPolarHBondContact CE1-OE1 3.19Å |
| 269 | H | 98.1 | Very high | 96.6 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 62.5 | 15.3 | -178.2 | -51.2 | -83.4 | 0 | 0 | 0 | 115.9 | S266 L271 G272 T273 Q274 T276 L317 E333 | S266-H269 PolarHBondContact O-N 2.86Å; H269-L271 PolarHBondContact O-N 3.27Å; H269-L271 VanDerWaalsContact O-N 3.08Å; H269-G272 WeakPolarHBondContact O-CA 3.47Å; H269-G272 PolarHBondContact O-N 2.83Å; H269-T273 PolarHBondContact ND1-O 3.35Å; H269-Q274 PolarHBondContact CE1-O 3.21Å; H269-T276 WeakPolarHBondContact NE2-CG2 3.27Å; H269-L317 WeakPolarHBondContact O-CD1 3.23Å; H269-E333 IonicContact CD2-OE2 3.02Å |
| 270 | Q | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.3 | -176.4 | 65.6 | -88.1 | 43.2 | 0 | 0 | 114.7 | F250 N267 Y268 Q302 T305 | F250-Q270 HydrophobicContact CD1-CG 3.9Å; F250-Q270 HydrophobicContact CE1-CB 4.3Å; F250-Q270 HydrophobicContact CE1-CG 3.54Å; F250-Q270 HydrophobicContact CZ-CB 4.36Å; F250-Q270 HydrophobicContact CZ-CG 4.06Å; N267-Q270 PolarHBondContact OD1-NE2 3.41Å; Y268-Q270 VanDerWaalsContact C-OE1 3.29Å; Y268-Q270 PolarHBondContact O-N 3.41Å; Y268-Q270 VanDerWaalsContact O-N 3.14Å; Q270-Q302 PolarHBondContact NE2-O 3.05Å; Q270-T305 WeakPolarHBondContact O-CB 3.27Å; Q270-T305 PolarHBondContact O-OG1 2.99Å |
| 271 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8 | 168.8 | -84.4 | 176.1 | 0 | 0 | 0 | 113.9 | F250 F252 G264 L265 S266 H269 T273 C279 L285 | F250-L271 HydrophobicContact CB-CD1 4.31Å; F250-L271 HydrophobicContact CB-CD2 3.8Å; F250-L271 HydrophobicContact CB-CG 4.02Å; F250-L271 HydrophobicContact CD2-CD2 3.92Å; F250-L271 HydrophobicContact CG-CD2 4.11Å; F250-L271 HydrophobicContact CG-CG 4.33Å; F252-L271 HydrophobicContact CD1-CD2 4.28Å; F252-L271 HydrophobicContact CE1-CD2 3.67Å; F252-L271 HydrophobicContact CE2-CD2 4.49Å; F252-L271 HydrophobicContact CZ-CD2 3.8Å; G264-L271 WeakPolarHBondContact O-CD1 3.21Å; L265-L271 WeakPolarHBondContact O-CG 3.32Å; S266-L271 PolarHBondContact OG-N 2.91Å; H269-L271 PolarHBondContact O-N 3.27Å; H269-L271 VanDerWaalsContact O-N 3.08Å; L271-T273 HydrophobicContact CB-CG2 4.28Å; L271-C279 HydrophobicContact CD1-CB 4.18Å; L271-L285 WeakPolarHBondContact O-CD1 3.38Å; L271-L285 WeakPolarHBondContact O-CD2 3.5Å |
| 272 | G | 97.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | 79.7 | 20.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H269 C287 L317 S335 | H269-G272 WeakPolarHBondContact O-CA 3.47Å; H269-G272 PolarHBondContact O-N 2.83Å; G272-C287 PolarHBondContact O-SG 3.34Å; G272-L317 VanDerWaalsContact CA-CD1 3.41Å; G272-L317 VanDerWaalsContact N-CD1 3.27Å; G272-S335 CarbonylContact C-O 3.58Å; G272-S335 VanDerWaalsContact CA-O 3.27Å; G272-S335 WeakPolarHBondContact CA-O 3.4Å | ||
| 273 | T | 95.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | trans | -85.5 | 142.6 | 173.7 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | S266 H269 L271 N275 L285 | S266-T273 WeakPolarHBondContact CB-OG1 3.24Å; S266-T273 PolarHBondContact OG-OG1 2.93Å; H269-T273 PolarHBondContact ND1-O 3.35Å; L271-T273 HydrophobicContact CB-CG2 4.28Å; T273-N275 VanDerWaalsContact C-N 3.25Å; T273-N275 PolarHBondContact O-N 2.85Å; T273-N275 PolarHBondContact OG1-O 3.32Å; T273-L285 HydrophobicContact CG2-CD2 3.89Å | ||
| 274 | Q | 91.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 41.7 Ų | 41.7 | 58% | 0.584 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -69.1 | -23 | 179.4 | -64.3 | -63.7 | -22.3 | 0 | 0 | 113.4 | H269 E336 | H269-Q274 PolarHBondContact CE1-O 3.21Å; Q274-E336 PolarHBondContact NE2-OE1 3.49Å |
| 275 | N | 92.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 42.1 Ų | 42.1 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -107.7 | 167.8 | 171 | 67.1 | 55 | 0 | 0 | 0 | 110.7 | T273 S277 | T273-N275 VanDerWaalsContact C-N 3.25Å; T273-N275 PolarHBondContact O-N 2.85Å; T273-N275 PolarHBondContact OG1-O 3.32Å; N275-S277 WeakPolarHBondContact OD1-CB 3Å; N275-S277 PolarHBondContact OD1-N 3.43Å; N275-S277 VanDerWaalsContact OD1-N 3.07Å |
| 276 | T | 96.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | trans | -96 | 11.6 | -177.5 | 53.6 | 0 | 0 | 0 | 0 | 114 | S266 N267 H269 | S266-T276 CarbonylContact O-C 3.6Å; S266-T276 WeakPolarHBondContact O-CA 3.32Å; N267-T276 WeakPolarHBondContact O-CG2 3.49Å; H269-T276 WeakPolarHBondContact NE2-CG2 3.27Å | ||
| 277 | S | 95.2 | Very high | 95.9 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | trans | -74.5 | 141.9 | 179.6 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | N275 | N275-S277 WeakPolarHBondContact OD1-CB 3Å; N275-S277 PolarHBondContact OD1-N 3.43Å; N275-S277 VanDerWaalsContact OD1-N 3.07Å | ||
| 278 | M | 95.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | trans | -63.8 | 144 | 173.4 | -66.4 | 170.8 | -76.9 | 0 | 0 | 111.1 | Q205 L265 F280 | Q205-M278 PolarHBondContact OE1-SD 2.91Å; L265-M278 HydrophobicContact CD1-CG 4.08Å; M278-F280 HydrophobicContact CB-CD2 4.19Å; M278-F280 HydrophobicContact CB-CE2 3.58Å; M278-F280 HydrophobicContact CB-CZ 4.16Å; M278-F280 HydrophobicContact CE-CE2 4.21Å; M278-F280 HydrophobicContact CE-CZ 4.24Å; M278-F280 HydrophobicContact SD-CE2 4.27Å; M278-F280 HydrophobicContact SD-CZ 4.04Å | ||
| 279 | C | 96.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 97.7 | -179.4 | -71 | 0 | 0 | 0 | 0 | 110.3 | F263 G264 L271 A281 V283 | F263-C279 CarbonylContact C-O 3.52Å; F263-C279 WeakPolarHBondContact CA-O 3.48Å; F263-C279 HydrophobicContact CB-CB 4.48Å; F263-C279 WeakPolarHBondContact CB-O 3.43Å; G264-C279 PolarHBondContact N-O 3.2Å; G264-C279 PolarHBondContact O-N 2.87Å; L271-C279 HydrophobicContact CD1-CB 4.18Å; C279-A281 VanDerWaalsContact C-N 3.27Å; C279-A281 PolarHBondContact O-N 2.8Å; C279-V283 HydrophobicContact CB-CG2 4.13Å |
| 280 | F | 95.6 | Very high | 94 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 10% | 0.101 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -4.2 | 179.9 | -70.2 | -89.8 | 0 | 0 | 0 | 114.6 | G209 E213 M278 | G209-F280 CarbonylContact C-O 3.6Å; G209-F280 WeakPolarHBondContact CA-O 3.35Å; E213-F280 HydrophobicContact CB-CD1 4.16Å; E213-F280 HydrophobicContact CB-CD2 3.6Å; E213-F280 HydrophobicContact CB-CE1 4.18Å; E213-F280 HydrophobicContact CB-CE2 3.59Å; E213-F280 HydrophobicContact CB-CG 3.89Å; E213-F280 HydrophobicContact CB-CZ 3.91Å; E213-F280 HydrophobicContact CG-CD2 4.1Å; E213-F280 HydrophobicContact CG-CE1 4.35Å; E213-F280 HydrophobicContact CG-CE2 3.54Å; E213-F280 HydrophobicContact CG-CZ 3.7Å; M278-F280 HydrophobicContact CB-CD2 4.19Å; M278-F280 HydrophobicContact CB-CE2 3.58Å; M278-F280 HydrophobicContact CB-CZ 4.16Å; M278-F280 HydrophobicContact CE-CE2 4.21Å; M278-F280 HydrophobicContact CE-CZ 4.24Å; M278-F280 HydrophobicContact SD-CE2 4.27Å; M278-F280 HydrophobicContact SD-CZ 4.04Å |
| 281 | A | 95.6 | Very high | 92.9 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 156.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | C279 V283 | C279-A281 VanDerWaalsContact C-N 3.27Å; C279-A281 PolarHBondContact O-N 2.8Å; A281-V283 PolarHBondContact O-N 3.43Å |
| 282 | P | 96.8 | Very high | 92 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 119.8 | -175.7 | -20.3 | 37.3 | 0 | 0 | 0 | 110.4 | G209 V233 L235 Y261 F263 | G209-P282 VanDerWaalsContact O-CD 3.26Å; G209-P282 WeakPolarHBondContact O-CD 3.36Å; V233-P282 HydrophobicContact CG1-CG 3.4Å; V233-P282 VanDerWaalsContact CG1-CG 3.4Å; L235-P282 HydrophobicContact CD1-CB 3.92Å; L235-P282 HydrophobicContact CD1-CG 3.64Å; L235-P282 HydrophobicContact CD2-CB 3.97Å; L235-P282 HydrophobicContact CG-CB 4.06Å; L235-P282 HydrophobicContact CG-CG 4.07Å; Y261-P282 HydrophobicContact CD1-CB 4.24Å; F263-P282 HydrophobicContact CD1-CB 3.72Å; F263-P282 HydrophobicContact CD1-CG 3.78Å; F263-P282 HydrophobicContact CE1-CB 4.2Å; F263-P282 HydrophobicContact CE1-CG 4.06Å; F263-P282 HydrophobicContact CG-CG 4.5Å |
| 283 | V | 95.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.7 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | Y261 G262 C279 A281 L285 | Y261-V283 CarbonylContact C-O 3.59Å; Y261-V283 VanDerWaalsContact CA-O 3.23Å; Y261-V283 WeakPolarHBondContact CA-O 3.49Å; G262-V283 PolarHBondContact N-O 2.71Å; G262-V283 PolarHBondContact O-N 3.14Å; C279-V283 HydrophobicContact CB-CG2 4.13Å; A281-V283 PolarHBondContact O-N 3.43Å; V283-L285 HydrophobicContact CB-CD2 4.49Å; V283-L285 HydrophobicContact CG1-CD2 4.36Å; V283-L285 PolarHBondContact O-N 2.85Å |
| 284 | K | 95.6 | Very high | 91.2 | Very high | 81 Ų | 81 | 67 Ų | 67 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 112.9 | 170.4 | -178.2 | 174.7 | 176.6 | 167.6 | 0 | 108.6 | Y259 Y261 T286 | Y259-K284 VanDerWaalsContact CD1-NZ 3.27Å; Y259-K284 VanDerWaalsContact CD2-NZ 3.3Å; Y259-K284 HydrophobicContact CG-CD 4.35Å; Y261-K284 HydrophobicContact CD1-CB 4.12Å; Y261-K284 HydrophobicContact CE1-CB 3.74Å; Y261-K284 HydrophobicContact CE1-CG 4.41Å; K284-T286 PolarHBondContact O-N 3.46Å |
| 285 | L | 96.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 62.4 Ų | 62.4 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | trans | -88.3 | 110.9 | -170.8 | -62.3 | 169 | 0 | 0 | 0 | 110.6 | F252 V260 L271 T273 V283 F288 | F252-L285 HydrophobicContact CD1-CD1 3.81Å; F252-L285 HydrophobicContact CE1-CD1 3.48Å; F252-L285 VanDerWaalsContact CE1-CD1 3.48Å; V260-L285 HydrophobicContact CG1-CD1 4.33Å; V260-L285 PolarHBondContact O-N 2.79Å; L271-L285 WeakPolarHBondContact O-CD1 3.38Å; L271-L285 WeakPolarHBondContact O-CD2 3.5Å; T273-L285 HydrophobicContact CG2-CD2 3.89Å; V283-L285 HydrophobicContact CB-CD2 4.49Å; V283-L285 HydrophobicContact CG1-CD2 4.36Å; V283-L285 PolarHBondContact O-N 2.85Å; L285-F288 HydrophobicContact CB-CD2 3.69Å; L285-F288 HydrophobicContact CB-CE2 4.27Å; L285-F288 HydrophobicContact CD1-CD2 4.01Å; L285-F288 HydrophobicContact CD1-CE2 3.9Å | ||
| 286 | T | 93.4 | Very high | 91.5 | Very high | 108 Ų | 108 | 61 Ų | 61 | 66% | 0.663 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -78.4 | -21.1 | -174.1 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | K284 F288 R289 | K284-T286 PolarHBondContact O-N 3.46Å; T286-F288 PolarHBondContact O-N 2.91Å; T286-R289 VanDerWaalsContact O-CB 3.22Å; T286-R289 WeakPolarHBondContact O-CB 3.15Å; T286-R289 PolarHBondContact O-N 2.63Å |
| 287 | C | 94.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -63.3 | -25.5 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | G272 R289 E336 | G272-C287 PolarHBondContact O-SG 3.34Å; C287-R289 VanDerWaalsContact C-N 3.34Å; C287-E336 HydrophobicContact CB-CG 4.23Å |
| 288 | F | 93.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -87.9 | -0.6 | 173.3 | -63.5 | -73.3 | 0 | 0 | 0 | 113.1 | F252 V260 L285 T286 N290 W295 F298 C307 L317 P337 | F252-F288 HydrophobicContact CE1-CE2 4.07Å; F252-F288 HydrophobicContact CE1-CZ 4.42Å; V260-F288 HydrophobicContact CB-CB 3.91Å; V260-F288 HydrophobicContact CB-CD2 4.29Å; V260-F288 HydrophobicContact CB-CG 4.24Å; V260-F288 HydrophobicContact CG1-CB 4.5Å; V260-F288 HydrophobicContact CG1-CD2 4.07Å; V260-F288 HydrophobicContact CG1-CG 4.29Å; V260-F288 HydrophobicContact CG2-CB 3.78Å; V260-F288 HydrophobicContact CG2-CG 4.27Å; L285-F288 HydrophobicContact CB-CD2 3.69Å; L285-F288 HydrophobicContact CB-CE2 4.27Å; L285-F288 HydrophobicContact CD1-CD2 4.01Å; L285-F288 HydrophobicContact CD1-CE2 3.9Å; T286-F288 PolarHBondContact O-N 2.91Å; F288-N290 PolarHBondContact O-N 3.27Å; F288-W295 HydrophobicContact CD1-CD2 4.01Å; F288-W295 AromaticContact CD1-CE2 3.61Å; F288-W295 HydrophobicContact CD1-CG 4.46Å; F288-W295 HydrophobicContact CD1-CH2 4.32Å; F288-W295 AromaticContact CD1-CZ2 3.78Å; F288-W295 HydrophobicContact CD1-CZ2 3.78Å; F288-W295 AromaticContact CD1-NE1 3.85Å; F288-W295 PolarHBondContact O-NE1 3.38Å; F288-F298 AromaticContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CZ 4.08Å; F288-F298 AromaticContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CZ 4.18Å; F288-F298 HydrophobicContact CE2-CE1 4.46Å; F288-F298 AromaticContact CZ-CE1 3.85Å; F288-F298 HydrophobicContact CZ-CE1 3.85Å; F288-C307 HydrophobicContact CE1-CB 4.29Å; F288-L317 HydrophobicContact CE1-CD2 4.29Å; F288-L317 HydrophobicContact CZ-CD1 4.34Å; F288-L317 HydrophobicContact CZ-CD2 3.94Å; F288-P337 HydrophobicContact CD1-CG 3.61Å; F288-P337 HydrophobicContact CE1-CB 4.25Å; F288-P337 HydrophobicContact CE1-CG 3.29Å; F288-P337 HydrophobicContact CG-CG 4.43Å; F288-P337 HydrophobicContact CZ-CG 3.9Å |
| 289 | R | 84.9 | Confident | 92 | Very high | 183 Ų | 183 | 54 Ų | 54 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | trans | -83 | 102.2 | 179.2 | -172.2 | -175.1 | -177.7 | -169.2 | -1.3 | 109.6 | T286 C287 | T286-R289 VanDerWaalsContact O-CB 3.22Å; T286-R289 WeakPolarHBondContact O-CB 3.15Å; T286-R289 PolarHBondContact O-N 2.63Å; C287-R289 VanDerWaalsContact C-N 3.34Å | ||
| 290 | N | 75.4 | Confident | 92 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | trans | -132.4 | 141.3 | 170.3 | -168.4 | -11.9 | 0 | 0 | 0 | 110.3 | F288 T292 T293 | F288-N290 PolarHBondContact O-N 3.27Å; N290-T292 PolarHBondContact ND2-OG1 3.13Å; N290-T292 PolarHBondContact O-N 3.4Å; N290-T292 PolarHBondContact OD1-N 2.94Å; N290-T292 VanDerWaalsContact OD1-N 3.11Å; N290-T292 PolarHBondContact OD1-OG1 2.9Å; N290-T292 VanDerWaalsContact OD1-OG1 3.13Å; N290-T293 PolarHBondContact ND2-OG1 3.28Å | ||
| 291 | S | 75.1 | Confident | 92.2 | Very high | 124 Ų | 124 | 52.7 Ų | 52.7 | 87% | 0.867 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -70.8 | -19.5 | 174.9 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 292 | T | 79.4 | Confident | 92.3 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -109.4 | -11.3 | -175.4 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | N290 | N290-T292 PolarHBondContact ND2-OG1 3.13Å; N290-T292 PolarHBondContact O-N 3.4Å; N290-T292 PolarHBondContact OD1-N 2.94Å; N290-T292 VanDerWaalsContact OD1-N 3.11Å; N290-T292 PolarHBondContact OD1-OG1 2.9Å; N290-T292 VanDerWaalsContact OD1-OG1 3.13Å |
| 293 | T | 84.6 | Confident | 92.4 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | trans | -112.2 | 122.9 | -174.3 | -50.6 | 0 | 0 | 0 | 0 | 109.9 | N290 W295 D309 | N290-T293 PolarHBondContact ND2-OG1 3.28Å; T293-W295 HydrophobicContact CG2-CD2 4.14Å; T293-W295 HydrophobicContact CG2-CE3 4.4Å; T293-W295 HydrophobicContact CG2-CH2 4.15Å; T293-W295 HydrophobicContact CG2-CZ2 3.85Å; T293-W295 HydrophobicContact CG2-CZ3 4.4Å; T293-D309 HydrophobicContact CG2-CB 3.43Å; T293-D309 VanDerWaalsContact CG2-CB 3.43Å | ||
| 294 | A | 91.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 50 Ų | 50 | 44% | 0.438 | 28% | 0.278 | S | S | . | . | trans | -105.1 | 109.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | V296 D309 A310 | A294-V296 PolarHBondContact O-N 3.28Å; A294-D309 CarbonylContact O-C 3.52Å; A294-D309 VanDerWaalsContact O-CA 3.3Å; A294-D309 WeakPolarHBondContact O-CA 3.26Å; A294-A310 HydrophobicContact CB-CB 4.02Å; A294-A310 PolarHBondContact O-N 3.1Å | ||
| 295 | W | 95.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.4 | 179.2 | -56.7 | 102.4 | 0 | 0 | 0 | 111.2 | V260 F288 T293 F298 C307 Y315 P337 | V260-W295 HydrophobicContact CG2-CG 4.44Å; F288-W295 HydrophobicContact CD1-CD2 4.01Å; F288-W295 AromaticContact CD1-CE2 3.61Å; F288-W295 HydrophobicContact CD1-CG 4.46Å; F288-W295 HydrophobicContact CD1-CH2 4.32Å; F288-W295 AromaticContact CD1-CZ2 3.78Å; F288-W295 HydrophobicContact CD1-CZ2 3.78Å; F288-W295 AromaticContact CD1-NE1 3.85Å; F288-W295 PolarHBondContact O-NE1 3.38Å; T293-W295 HydrophobicContact CG2-CD2 4.14Å; T293-W295 HydrophobicContact CG2-CE3 4.4Å; T293-W295 HydrophobicContact CG2-CH2 4.15Å; T293-W295 HydrophobicContact CG2-CZ2 3.85Å; T293-W295 HydrophobicContact CG2-CZ3 4.4Å; W295-F298 HydrophobicContact CB-CE2 3.59Å; W295-F298 HydrophobicContact CB-CZ 3.67Å; W295-F298 HydrophobicContact CD2-CZ 4.29Å; W295-F298 HydrophobicContact CG-CE2 4.34Å; W295-F298 AromaticContact CG-CZ 3.91Å; W295-F298 HydrophobicContact CG-CZ 3.91Å; W295-C307 HydrophobicContact CE3-CB 3.79Å; W295-C307 HydrophobicContact CZ3-CB 3.75Å; W295-C307 VanDerWaalsContact CZ3-SG 3.54Å; W295-Y315 HydrophobicContact CH2-CD1 4.15Å; W295-Y315 AromaticContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CE1 4.39Å; W295-Y315 HydrophobicContact CH2-CE2 4.02Å; W295-Y315 AromaticContact CH2-CG 3.85Å; W295-Y315 HydrophobicContact CH2-CG 3.85Å; W295-Y315 AromaticContact CZ3-CD2 3.53Å; W295-Y315 HydrophobicContact CZ3-CD2 3.53Å; W295-Y315 AromaticContact CZ3-CE2 3.98Å; W295-Y315 HydrophobicContact CZ3-CE2 3.98Å; W295-Y315 AromaticContact CZ3-CG 3.94Å; W295-Y315 HydrophobicContact CZ3-CG 3.94Å; W295-P337 HydrophobicContact CH2-CB 3.72Å; W295-P337 HydrophobicContact CH2-CG 4.17Å; W295-P337 HydrophobicContact CZ2-CB 4.22Å; W295-P337 HydrophobicContact CZ2-CG 4.23Å |
| 296 | V | 95.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -23.3 | -174.2 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | A294 L308 D309 A310 | A294-V296 PolarHBondContact O-N 3.28Å; V296-L308 HydrophobicContact CG2-CB 4.3Å; V296-L308 HydrophobicContact CG2-CD2 4.17Å; V296-L308 HydrophobicContact CG2-CG 3.89Å; V296-L308 WeakPolarHBondContact CG2-O 3.12Å; V296-L308 PolarHBondContact N-O 3.09Å; V296-D309 WeakPolarHBondContact CG2-O 3.37Å; V296-A310 HydrophobicContact CG1-CB 3.83Å |
| 297 | D | 98 | Very high | 93.1 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148 | -179.8 | -161.5 | 15.2 | 0 | 0 | 0 | 111.8 | F245 C307 L308 V349 | F245-D297 WeakPolarHBondContact CE1-OD1 3.46Å; D297-C307 WeakPolarHBondContact O-CA 2.8Å; D297-L308 HydrophobicContact CB-CB 3.9Å; D297-L308 HydrophobicContact CB-CD2 4.15Å; D297-L308 PolarHBondContact N-O 3.28Å; D297-L308 PolarHBondContact O-N 3.33Å; D297-V349 HydrophobicContact CB-CG2 4.22Å; D297-V349 PolarHBondContact OD2-N 2.88Å |
| 298 | F | 98.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138.7 | 177 | -70.6 | -98.7 | 0 | 0 | 0 | 109.3 | F245 F252 V254 V260 F288 W295 T305 L306 C307 | F245-F298 HydrophobicContact CB-CB 3.79Å; F245-F298 HydrophobicContact CD1-CB 4.27Å; F245-F298 WeakPolarHBondContact CD1-O 3.29Å; F245-F298 HydrophobicContact CD2-CB 3.92Å; F245-F298 AromaticContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CG 4.25Å; F245-F298 AromaticContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CG-CB 3.75Å; F245-F298 HydrophobicContact CG-CD2 4.43Å; F252-F298 HydrophobicContact CB-CG 4.4Å; F252-F298 HydrophobicContact CD1-CD1 4.49Å; F252-F298 HydrophobicContact CD2-CB 4.08Å; F252-F298 AromaticContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CG 4.19Å; F252-F298 HydrophobicContact CE2-CD1 4.08Å; F252-F298 HydrophobicContact CG-CD1 4.06Å; F252-F298 HydrophobicContact CG-CG 4.38Å; V254-F298 HydrophobicContact CG2-CE2 4.25Å; V260-F298 HydrophobicContact CG1-CE1 4.27Å; V260-F298 HydrophobicContact CG1-CE2 4.46Å; V260-F298 HydrophobicContact CG1-CZ 3.88Å; V260-F298 HydrophobicContact CG2-CE2 4.37Å; V260-F298 HydrophobicContact CG2-CZ 3.92Å; F288-F298 AromaticContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CZ 4.08Å; F288-F298 AromaticContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CZ 4.18Å; F288-F298 HydrophobicContact CE2-CE1 4.46Å; F288-F298 AromaticContact CZ-CE1 3.85Å; F288-F298 HydrophobicContact CZ-CE1 3.85Å; W295-F298 HydrophobicContact CB-CE2 3.59Å; W295-F298 HydrophobicContact CB-CZ 3.67Å; W295-F298 HydrophobicContact CD2-CZ 4.29Å; W295-F298 HydrophobicContact CG-CE2 4.34Å; W295-F298 AromaticContact CG-CZ 3.91Å; W295-F298 HydrophobicContact CG-CZ 3.91Å; F298-T305 HydrophobicContact CD1-CG2 4.46Å; F298-L306 WeakPolarHBondContact CA-O 3.32Å; F298-C307 HydrophobicContact CD1-CB 3.73Å; F298-C307 HydrophobicContact CE1-CB 3.7Å; F298-C307 HydrophobicContact CG-CB 4.41Å; F298-C307 HydrophobicContact CZ-CB 4.35Å |
| 299 | S | 98.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.4 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | T305 L306 S350 C351 | S299-T305 CarbonylContact O-C 3.55Å; S299-T305 WeakPolarHBondContact O-CA 3.49Å; S299-L306 PolarHBondContact N-O 3.46Å; S299-L306 PolarHBondContact O-N 3.25Å; S299-L306 VanDerWaalsContact O-O 3.11Å; S299-S350 WeakPolarHBondContact OG-CA 3.34Å; S299-C351 VanDerWaalsContact C-SG 3.53Å; S299-C351 PolarHBondContact O-SG 3.07Å; S299-C351 VanDerWaalsContact O-SG 3.36Å; S299-C351 WeakPolarHBondContact OG-CB 3.33Å; S299-C351 PolarHBondContact OG-N 2.89Å; S299-C351 PolarHBondContact OG-SG 3.1Å |
| 300 | G | 98.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G247 A248 H304 C351 | G247-G300 WeakPolarHBondContact CA-O 3.31Å; A248-G300 PolarHBondContact N-O 3.03Å; G300-H304 CarbonylContact C-O 3.34Å; G300-H304 VanDerWaalsContact CA-O 3.31Å; G300-H304 WeakPolarHBondContact CA-O 3.38Å; G300-C351 VanDerWaalsContact C-CB 3.48Å |
| 301 | G | 98.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -81.3 | -155.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A248 F250 H304 C351 G352 | A248-G301 VanDerWaalsContact CB-O 3.24Å; A248-G301 WeakPolarHBondContact CB-O 3.31Å; A248-G301 PolarHBondContact N-O 3.02Å; F250-G301 WeakPolarHBondContact CE1-O 3.22Å; G301-H304 PolarHBondContact N-O 3.36Å; G301-C351 VanDerWaalsContact N-CB 3.32Å; G301-G352 WeakPolarHBondContact CA-O 3.34Å | ||
| 302 | Q | 98.5 | Very high | 96 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -66.1 | -41.6 | 176.9 | -67.7 | 179.6 | -23.3 | 0 | 0 | 112 | A248 Y249 Q270 A353 | A248-Q302 HydrophobicContact CB-CG 4.26Å; Y249-Q302 HydrophobicContact CE2-CB 4.21Å; Y249-Q302 HydrophobicContact CE2-CG 4.04Å; Q270-Q302 PolarHBondContact NE2-O 3.05Å; Q302-A353 HydrophobicContact CG-CB 4.24Å; Q302-A353 PolarHBondContact N-O 3.36Å; Q302-A353 VanDerWaalsContact N-O 3.08Å |
| 303 | H | 98.8 | Very high | 96.9 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -137.9 | 11.7 | -169.6 | -55.7 | -54.1 | 0 | 0 | 0 | 114.3 | Y268 R319 | Y268-H303 HydrophobicContact CD2-CB 3.83Å; Y268-H303 AromaticContact CD2-CG 3.7Å; Y268-H303 AromaticContact CD2-ND1 3.6Å; Y268-H303 AromaticContact CE2-ND1 3.97Å; Y268-H303 HydrophobicContact CG-CB 4.31Å; H303-R319 HydrophobicContact CB-CB 3.82Å; H303-R319 WeakPolarHBondContact O-CB 3.49Å; H303-R319 PolarHBondContact O-N 3.06Å |
| 304 | H | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 159.5 | 176.4 | 71.3 | -64.2 | 0 | 0 | 0 | 111.2 | G300 G301 L317 R324 L325 V355 S356 | G300-H304 CarbonylContact C-O 3.34Å; G300-H304 VanDerWaalsContact CA-O 3.31Å; G300-H304 WeakPolarHBondContact CA-O 3.38Å; G301-H304 PolarHBondContact N-O 3.36Å; H304-L317 WeakPolarHBondContact CA-O 3.18Å; H304-R324 HydrophobicContact CB-CG 3.95Å; H304-R324 PolarHBondContact CD2-O 2.7Å; H304-L325 HydrophobicContact CB-CD2 4.02Å; H304-V355 PolarHBondContact CE1-O 3.08Å; H304-V355 PolarHBondContact NE2-O 2.86Å; H304-V355 VanDerWaalsContact NE2-O 3.14Å; H304-S356 PolarHBondContact CD2-OG 2.8Å; H304-S356 PolarHBondContact NE2-OG 2.97Å |
| 305 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.9 | 179 | -66.9 | 0 | 0 | 0 | 0 | 109.4 | F250 F252 Q270 F298 S299 S316 L317 | F250-T305 VanDerWaalsContact CE2-OG1 3.24Å; F250-T305 WeakPolarHBondContact CE2-OG1 3.26Å; F250-T305 WeakPolarHBondContact CZ-OG1 3.32Å; F252-T305 HydrophobicContact CE2-CG2 3.59Å; F252-T305 HydrophobicContact CZ-CG2 3.97Å; Q270-T305 WeakPolarHBondContact O-CB 3.27Å; Q270-T305 PolarHBondContact O-OG1 2.99Å; F298-T305 HydrophobicContact CD1-CG2 4.46Å; S299-T305 CarbonylContact O-C 3.55Å; S299-T305 WeakPolarHBondContact O-CA 3.49Å; T305-S316 VanDerWaalsContact O-CA 3.32Å; T305-S316 WeakPolarHBondContact O-CA 3.39Å; T305-L317 HydrophobicContact CG2-CD2 4.04Å; T305-L317 PolarHBondContact N-O 2.83Å; T305-L317 PolarHBondContact O-N 2.77Å |
| 306 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142.5 | 161.8 | -60.3 | -177.6 | 0 | 0 | 0 | 109.8 | F298 S299 Y315 V349 S350 W368 | F298-L306 WeakPolarHBondContact CA-O 3.32Å; S299-L306 PolarHBondContact N-O 3.46Å; S299-L306 PolarHBondContact O-N 3.25Å; S299-L306 VanDerWaalsContact O-O 3.11Å; L306-Y315 WeakPolarHBondContact CA-O 3.35Å; L306-V349 HydrophobicContact CB-CB 4.05Å; L306-V349 HydrophobicContact CB-CG2 4.13Å; L306-V349 HydrophobicContact CD1-CB 4.2Å; L306-S350 WeakPolarHBondContact CD1-O 3.49Å; L306-W368 HydrophobicContact CD1-CH2 4.16Å; L306-W368 HydrophobicContact CD1-CZ2 3.88Å; L306-W368 HydrophobicContact CD2-CZ2 3.67Å; L306-W368 HydrophobicContact CG-CZ2 4.43Å |
| 307 | C | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.1 | 172 | 44.6 | 0 | 0 | 0 | 0 | 110.1 | F288 W295 D297 F298 Y315 | F288-C307 HydrophobicContact CE1-CB 4.29Å; W295-C307 HydrophobicContact CE3-CB 3.79Å; W295-C307 HydrophobicContact CZ3-CB 3.75Å; W295-C307 VanDerWaalsContact CZ3-SG 3.54Å; D297-C307 WeakPolarHBondContact O-CA 2.8Å; F298-C307 HydrophobicContact CD1-CB 3.73Å; F298-C307 HydrophobicContact CE1-CB 3.7Å; F298-C307 HydrophobicContact CG-CB 4.41Å; F298-C307 HydrophobicContact CZ-CB 4.35Å; C307-Y315 PolarHBondContact N-O 2.88Å; C307-Y315 PolarHBondContact O-N 2.95Å; C307-Y315 VanDerWaalsContact SG-CB 3.5Å |
| 308 | L | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.7 | -175.8 | 179.5 | 59.8 | 0 | 0 | 0 | 109.1 | V296 D297 Q313 V314 A346 V349 | V296-L308 HydrophobicContact CG2-CB 4.3Å; V296-L308 HydrophobicContact CG2-CD2 4.17Å; V296-L308 HydrophobicContact CG2-CG 3.89Å; V296-L308 WeakPolarHBondContact CG2-O 3.12Å; V296-L308 PolarHBondContact N-O 3.09Å; D297-L308 HydrophobicContact CB-CB 3.9Å; D297-L308 HydrophobicContact CB-CD2 4.15Å; D297-L308 PolarHBondContact N-O 3.28Å; D297-L308 PolarHBondContact O-N 3.33Å; L308-Q313 WeakPolarHBondContact CD1-O 3.32Å; L308-V314 HydrophobicContact CD1-CG2 4.28Å; L308-A346 HydrophobicContact CD1-CB 3.7Å; L308-A346 HydrophobicContact CD2-CB 4.42Å; L308-V349 HydrophobicContact CB-CG1 4.11Å; L308-V349 HydrophobicContact CB-CG2 4.12Å |
| 309 | D | 97.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.043 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 170.9 | 170.4 | 73 | 12.9 | 0 | 0 | 0 | 113.1 | T293 A294 V296 E311 G312 Q313 Y315 | T293-D309 HydrophobicContact CG2-CB 3.43Å; T293-D309 VanDerWaalsContact CG2-CB 3.43Å; A294-D309 CarbonylContact O-C 3.52Å; A294-D309 VanDerWaalsContact O-CA 3.3Å; A294-D309 WeakPolarHBondContact O-CA 3.26Å; V296-D309 WeakPolarHBondContact CG2-O 3.37Å; D309-E311 PolarHBondContact O-N 3.39Å; D309-E311 WeakPolarHBondContact OD1-CB 3.29Å; D309-E311 PolarHBondContact OD1-N 3.33Å; D309-E311 VanDerWaalsContact OD1-N 3.14Å; D309-G312 PolarHBondContact O-N 3.24Å; D309-G312 PolarHBondContact OD1-N 3.28Å; D309-Q313 PolarHBondContact N-O 3.47Å; D309-Q313 PolarHBondContact OD1-N 3.28Å; D309-Q313 WeakPolarHBondContact OD2-CB 3.26Å; D309-Y315 HydrophobicContact CB-CE2 4.28Å; D309-Y315 WeakPolarHBondContact OD2-CE2 3.43Å; D309-Y315 PolarHBondContact OD2-OH 2.7Å |
| 310 | A | 95.6 | Very high | 98.3 | Very high | 42 Ų | 42 | 20 Ų | 20 | 35% | 0.347 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A294 V296 G312 R361 | A294-A310 HydrophobicContact CB-CB 4.02Å; A294-A310 PolarHBondContact O-N 3.1Å; V296-A310 HydrophobicContact CG1-CB 3.83Å; A310-G312 VanDerWaalsContact C-N 3.29Å; A310-R361 PolarHBondContact O-NH2 3.02Å |
| 311 | E | 96.9 | Very high | 98.3 | Very high | 108 Ų | 108 | 23.1 Ų | 23.1 | 51% | 0.505 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.2 | 177.4 | -66.7 | 65.2 | -142.9 | 0 | 0 | 111.7 | D309 R361 | D309-E311 PolarHBondContact O-N 3.39Å; D309-E311 WeakPolarHBondContact OD1-CB 3.29Å; D309-E311 PolarHBondContact OD1-N 3.33Å; D309-E311 VanDerWaalsContact OD1-N 3.14Å; E311-R361 PolarHBondContact O-NH2 3.03Å |
| 312 | G | 98 | Very high | 98.3 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | trans | 100.8 | 11.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D309 A310 A346 | D309-G312 PolarHBondContact O-N 3.24Å; D309-G312 PolarHBondContact OD1-N 3.28Å; A310-G312 VanDerWaalsContact C-N 3.29Å; G312-A346 WeakPolarHBondContact CA-O 3.33Å; G312-A346 PolarHBondContact O-N 3.29Å | ||
| 313 | Q | 98.3 | Very high | 98.3 | Very high | 72 Ų | 72 | 25.1 Ų | 25.1 | 34% | 0.336 | 12% | 0.121 | S | C | . | . | trans | -79.7 | 129.2 | 175.1 | 177.5 | 62.9 | 69.1 | 0 | 0 | 110.1 | L308 D309 Y315 V340 | L308-Q313 WeakPolarHBondContact CD1-O 3.32Å; D309-Q313 PolarHBondContact N-O 3.47Å; D309-Q313 PolarHBondContact OD1-N 3.28Å; D309-Q313 WeakPolarHBondContact OD2-CB 3.26Å; Q313-Y315 HydrophobicContact CB-CD2 4.5Å; Q313-Y315 HydrophobicContact CB-CE2 3.74Å; Q313-Y315 HydrophobicContact CG-CD2 4.01Å; Q313-Y315 HydrophobicContact CG-CE1 4.4Å; Q313-Y315 HydrophobicContact CG-CE2 3.37Å; Q313-Y315 WeakPolarHBondContact O-CD2 3.43Å; Q313-Y315 WeakPolarHBondContact O-CE2 3.45Å; Q313-V340 PolarHBondContact NE2-O 3.37Å | ||
| 314 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 137.2 | 175.4 | -179 | 0 | 0 | 0 | 0 | 109.5 | L308 V340 I343 A346 V349 A358 W368 | L308-V314 HydrophobicContact CD1-CG2 4.28Å; V314-V340 HydrophobicContact CB-CB 4.38Å; V314-V340 HydrophobicContact CG1-CB 4.26Å; V314-V340 HydrophobicContact CG1-CG2 4.25Å; V314-V340 PolarHBondContact O-N 3.06Å; V314-I343 HydrophobicContact CB-CD1 4.19Å; V314-I343 HydrophobicContact CG1-CD1 4.4Å; V314-I343 HydrophobicContact CG2-CD1 4.2Å; V314-A346 HydrophobicContact CG2-CB 3.62Å; V314-V349 HydrophobicContact CG1-CG1 4Å; V314-V349 HydrophobicContact CG2-CG1 3.92Å; V314-A358 HydrophobicContact CG2-CB 3.95Å; V314-W368 HydrophobicContact CG1-CH2 4.17Å; V314-W368 HydrophobicContact CG1-CZ2 4.41Å |
| 315 | Y | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 14% | 0.141 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.3 | 175.6 | -63 | -105 | 0 | 0 | 0 | 109.9 | W295 L306 C307 D309 Q313 P337 T338 P339 | W295-Y315 HydrophobicContact CH2-CD1 4.15Å; W295-Y315 AromaticContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CE1 4.39Å; W295-Y315 HydrophobicContact CH2-CE2 4.02Å; W295-Y315 AromaticContact CH2-CG 3.85Å; W295-Y315 HydrophobicContact CH2-CG 3.85Å; W295-Y315 AromaticContact CZ3-CD2 3.53Å; W295-Y315 HydrophobicContact CZ3-CD2 3.53Å; W295-Y315 AromaticContact CZ3-CE2 3.98Å; W295-Y315 HydrophobicContact CZ3-CE2 3.98Å; W295-Y315 AromaticContact CZ3-CG 3.94Å; W295-Y315 HydrophobicContact CZ3-CG 3.94Å; L306-Y315 WeakPolarHBondContact CA-O 3.35Å; C307-Y315 PolarHBondContact N-O 2.88Å; C307-Y315 PolarHBondContact O-N 2.95Å; C307-Y315 VanDerWaalsContact SG-CB 3.5Å; D309-Y315 HydrophobicContact CB-CE2 4.28Å; D309-Y315 WeakPolarHBondContact OD2-CE2 3.43Å; D309-Y315 PolarHBondContact OD2-OH 2.7Å; Q313-Y315 HydrophobicContact CB-CD2 4.5Å; Q313-Y315 HydrophobicContact CB-CE2 3.74Å; Q313-Y315 HydrophobicContact CG-CD2 4.01Å; Q313-Y315 HydrophobicContact CG-CE1 4.4Å; Q313-Y315 HydrophobicContact CG-CE2 3.37Å; Q313-Y315 WeakPolarHBondContact O-CD2 3.43Å; Q313-Y315 WeakPolarHBondContact O-CE2 3.45Å; Y315-P337 HydrophobicContact CD1-CB 4.06Å; Y315-P337 HydrophobicContact CG-CB 4.29Å; Y315-T338 CarbonylContact C-O 3.56Å; Y315-T338 WeakPolarHBondContact CA-O 3.34Å; Y315-P339 HydrophobicContact CD1-CB 4.27Å; Y315-P339 HydrophobicContact CD1-CG 3.95Å; Y315-P339 HydrophobicContact CE1-CB 4.16Å; Y315-P339 HydrophobicContact CE1-CG 3.62Å |
| 316 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.4 | 174.2 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | T305 L325 T338 | T305-S316 VanDerWaalsContact O-CA 3.32Å; T305-S316 WeakPolarHBondContact O-CA 3.39Å; S316-L325 VanDerWaalsContact CB-O 3.31Å; S316-L325 WeakPolarHBondContact CB-O 3.5Å; S316-L325 PolarHBondContact OG-O 3Å; S316-T338 PolarHBondContact N-O 2.99Å; S316-T338 PolarHBondContact O-N 2.82Å |
| 317 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 160.5 | 170.9 | 62.6 | 143.3 | 0 | 0 | 0 | 110.2 | H269 G272 F288 H304 T305 L325 R334 P337 | H269-L317 WeakPolarHBondContact O-CD1 3.23Å; G272-L317 VanDerWaalsContact CA-CD1 3.41Å; G272-L317 VanDerWaalsContact N-CD1 3.27Å; F288-L317 HydrophobicContact CE1-CD2 4.29Å; F288-L317 HydrophobicContact CZ-CD1 4.34Å; F288-L317 HydrophobicContact CZ-CD2 3.94Å; H304-L317 WeakPolarHBondContact CA-O 3.18Å; T305-L317 HydrophobicContact CG2-CD2 4.04Å; T305-L317 PolarHBondContact N-O 2.83Å; T305-L317 PolarHBondContact O-N 2.77Å; L317-L325 WeakPolarHBondContact O-CD2 3.21Å; L317-R334 HydrophobicContact CB-CB 4.41Å; L317-R334 WeakPolarHBondContact CB-O 3.44Å; L317-P337 HydrophobicContact CD2-CB 4.41Å; L317-P337 HydrophobicContact CD2-CG 4.23Å |
| 318 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.8 | -150.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y268 E333 R334 | Y268-G318 CarbonylContact O-C 2.97Å; Y268-G318 VanDerWaalsContact O-C 3.23Å; Y268-G318 WeakPolarHBondContact O-CA 3.35Å; G318-E333 WeakPolarHBondContact O-CA 3.29Å; G318-R334 PolarHBondContact N-O 2.75Å; G318-R334 PolarHBondContact O-N 2.97Å |
| 319 | R | 98.7 | Very high | 98.2 | Very high | 40 Ų | 40 | 35 Ų | 35 | 15% | 0.151 | 17% | 0.174 | C | C | . | . | trans | -67.2 | 136 | 175.8 | -169.8 | 175.5 | -176.5 | -173.8 | -3.6 | 111.3 | Y268 H303 E321 R324 L325 | Y268-R319 HydrophobicContact CD1-CB 3.83Å; Y268-R319 HydrophobicContact CD1-CG 3.74Å; Y268-R319 HydrophobicContact CD2-CB 4.43Å; Y268-R319 HydrophobicContact CE1-CG 3.94Å; Y268-R319 HydrophobicContact CG-CB 3.78Å; Y268-R319 HydrophobicContact CG-CG 4.11Å; H303-R319 HydrophobicContact CB-CB 3.82Å; H303-R319 WeakPolarHBondContact O-CB 3.49Å; H303-R319 PolarHBondContact O-N 3.06Å; R319-E321 HydrophobicContact CG-CB 4.26Å; R319-E321 HydrophobicContact CG-CG 4.38Å; R319-E321 IonicContact CZ-OE1 3.73Å; R319-E321 IonicContact CZ-OE2 3.7Å; R319-E321 IonicContact NE-OE1 3.34Å; R319-E321 PolarHBondContact NE-OE1 2.87Å; R319-E321 IonicContact NE-OE2 2.61Å; R319-E321 PolarHBondContact NE-OE2 3.21Å; R319-E321 IonicContact NH2-OE1 3.88Å; R319-E321 PolarHBondContact NH2-OE1 2.92Å; R319-E321 IonicContact NH2-OE2 2.69Å; R319-E321 PolarHBondContact NH2-OE2 3.34Å; R319-R324 WeakPolarHBondContact O-CD 3.43Å; R319-R324 WeakPolarHBondContact O-CG 3.2Å; R319-L325 WeakPolarHBondContact O-CG 3.48Å | ||
| 320 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | trans | -94.7 | -18.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G323 L325 A331 E332 | A320-G323 PolarHBondContact O-N 3.46Å; A320-L325 HydrophobicContact CB-CD1 3.71Å; A320-L325 HydrophobicContact CB-CG 4.38Å; A320-A331 HydrophobicContact CB-CB 4.41Å; A320-A331 WeakPolarHBondContact CB-O 3.11Å; A320-E332 WeakPolarHBondContact CB-O 3.14Å | ||
| 321 | E | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -55.9 | 146.5 | -177.1 | -66.9 | 173.8 | -123.6 | 0 | 0 | 113.4 | R319 G323 R324 | R319-E321 HydrophobicContact CG-CB 4.26Å; R319-E321 HydrophobicContact CG-CG 4.38Å; R319-E321 IonicContact CZ-OE1 3.73Å; R319-E321 IonicContact CZ-OE2 3.7Å; R319-E321 IonicContact NE-OE1 3.34Å; R319-E321 PolarHBondContact NE-OE1 2.87Å; R319-E321 IonicContact NE-OE2 2.61Å; R319-E321 PolarHBondContact NE-OE2 3.21Å; R319-E321 IonicContact NH2-OE1 3.88Å; R319-E321 PolarHBondContact NH2-OE1 2.92Å; R319-E321 IonicContact NH2-OE2 2.69Å; R319-E321 PolarHBondContact NH2-OE2 3.34Å; E321-G323 PolarHBondContact O-N 2.88Å; E321-R324 PolarHBondContact O-NE 3.48Å |
| 322 | Y | 98.2 | Very high | 98.2 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | 60.1 | 24.7 | -174.7 | -43.7 | -49.2 | 0 | 0 | 0 | 113.7 | R324 G369 M370 D383 | Y322-R324 PolarHBondContact O-N 2.95Å; Y322-R324 VanDerWaalsContact O-N 3.1Å; Y322-G369 CarbonylContact O-C 3.23Å; Y322-G369 WeakPolarHBondContact O-CA 3.48Å; Y322-M370 HydrophobicContact CD2-CB 4.46Å; Y322-M370 HydrophobicContact CD2-CG 4.33Å; Y322-M370 HydrophobicContact CD2-SD 4.24Å; Y322-M370 HydrophobicContact CG-CB 4.42Å; Y322-M370 HydrophobicContact CG-CG 4.32Å; Y322-M370 PolarHBondContact O-N 2.92Å; Y322-D383 WeakPolarHBondContact CD1-OD2 3.36Å |
| 323 | G | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | 70.8 | 6.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A320 E321 L325 G326 | A320-G323 PolarHBondContact O-N 3.46Å; E321-G323 PolarHBondContact O-N 2.88Å; G323-L325 PolarHBondContact O-N 3.18Å; G323-G326 PolarHBondContact O-N 3.47Å |
| 324 | R | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.4 | -170.3 | 72 | -175.4 | 76.4 | -154.5 | 0.7 | 115.6 | H304 R319 E321 Y322 S354 S356 W368 | H304-R324 HydrophobicContact CB-CG 3.95Å; H304-R324 PolarHBondContact CD2-O 2.7Å; R319-R324 WeakPolarHBondContact O-CD 3.43Å; R319-R324 WeakPolarHBondContact O-CG 3.2Å; E321-R324 PolarHBondContact O-NE 3.48Å; Y322-R324 PolarHBondContact O-N 2.95Å; Y322-R324 VanDerWaalsContact O-N 3.1Å; R324-S354 PolarHBondContact NH1-OG 3.12Å; R324-S356 PolarHBondContact O-OG 2.84Å; R324-W368 PolarHBondContact O-NE1 3.43Å; R324-W368 VanDerWaalsContact O-NE1 3.13Å |
| 325 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -22.3 | 174.5 | -60.8 | -177 | 0 | 0 | 0 | 113.9 | H304 S316 L317 R319 A320 G323 L327 R334 V340 W368 | H304-L325 HydrophobicContact CB-CD2 4.02Å; S316-L325 VanDerWaalsContact CB-O 3.31Å; S316-L325 WeakPolarHBondContact CB-O 3.5Å; S316-L325 PolarHBondContact OG-O 3Å; L317-L325 WeakPolarHBondContact O-CD2 3.21Å; R319-L325 WeakPolarHBondContact O-CG 3.48Å; A320-L325 HydrophobicContact CB-CD1 3.71Å; A320-L325 HydrophobicContact CB-CG 4.38Å; G323-L325 PolarHBondContact O-N 3.18Å; L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 HydrophobicContact CB-CD1 3.96Å; L325-L327 HydrophobicContact CB-CG 3.87Å; L325-L327 HydrophobicContact CD1-CD1 4.12Å; L325-L327 PolarHBondContact O-N 3.01Å; L325-R334 HydrophobicContact CD1-CB 4.34Å; L325-R334 HydrophobicContact CD1-CG 4.06Å; L325-V340 WeakPolarHBondContact O-CG2 3.39Å; L325-W368 VanDerWaalsContact C-NE1 3.31Å; L325-W368 PolarHBondContact O-NE1 2.83Å |
| 326 | G | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | trans | 70.8 | 24.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G323 W385 P387 | G323-G326 PolarHBondContact O-N 3.47Å; G326-W385 CarbonylContact C-O 2.93Å; G326-W385 VanDerWaalsContact CA-O 3.28Å; G326-W385 WeakPolarHBondContact CA-O 3.27Å; G326-P387 WeakPolarHBondContact O-CD 3.43Å | ||
| 327 | L | 98.8 | Very high | 98 | Very high | 48 Ų | 48 | 48 Ų | 48 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -98.2 | 10.6 | -174.3 | -59.2 | 178 | 0 | 0 | 0 | 113.4 | L325 A331 R334 T338 P339 V340 W385 | L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 HydrophobicContact CB-CD1 3.96Å; L325-L327 HydrophobicContact CB-CG 3.87Å; L325-L327 HydrophobicContact CD1-CD1 4.12Å; L325-L327 PolarHBondContact O-N 3.01Å; L327-A331 HydrophobicContact CB-CB 3.89Å; L327-R334 HydrophobicContact CD1-CG 3.78Å; L327-T338 HydrophobicContact CD1-CG2 3.82Å; L327-T338 HydrophobicContact CD2-CG2 3.89Å; L327-P339 WeakPolarHBondContact CD2-O 3.42Å; L327-V340 HydrophobicContact CD2-CG2 4.03Å; L327-W385 PolarHBondContact N-O 2.85Å |
| 328 | G | 98 | Very high | 98 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | trans | 94.3 | 168.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A331 W385 | G328-A331 WeakPolarHBondContact O-CB 3.49Å; G328-A331 PolarHBondContact O-N 3.09Å; G328-W385 WeakPolarHBondContact CA-O 3.28Å; G328-W385 PolarHBondContact N-O 2.66Å | ||
| 329 | E | 96.5 | Very high | 98 | Very high | 172 Ų | 172 | 53.2 Ų | 53.2 | 80% | 0.804 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 141.5 | 176.6 | -71.2 | -174.8 | -175.7 | 0 | 0 | 111.4 | A331 W385 | E329-A331 PolarHBondContact O-N 2.99Å; E329-W385 HydrophobicContact CG-CB 4Å; E329-W385 HydrophobicContact CG-CD2 4.49Å; E329-W385 HydrophobicContact CG-CG 3.96Å |
| 330 | G | 95.4 | Very high | 98 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 11.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | E332 | G330-E332 PolarHBondContact O-N 2.8Š|
| 331 | A | 97.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 136.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A320 L327 G328 E329 | A320-A331 HydrophobicContact CB-CB 4.41Å; A320-A331 WeakPolarHBondContact CB-O 3.11Å; L327-A331 HydrophobicContact CB-CB 3.89Å; G328-A331 WeakPolarHBondContact O-CB 3.49Å; G328-A331 PolarHBondContact O-N 3.09Å; E329-A331 PolarHBondContact O-N 2.99Å |
| 332 | E | 97.9 | Very high | 97.8 | Very high | 140 Ų | 140 | 54.4 Ų | 54.4 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 168.5 | 173.2 | -61.1 | 176.6 | 165.6 | 0 | 0 | 110.4 | A320 G330 R334 | A320-E332 WeakPolarHBondContact CB-O 3.14Å; G330-E332 PolarHBondContact O-N 2.8Å; E332-R334 PolarHBondContact O-NH1 2.95Å |
| 333 | E | 97.9 | Very high | 97.8 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 148.7 | 175.8 | -59.3 | -174.8 | 179 | 0 | 0 | 111.8 | Y268 H269 G318 | Y268-E333 WeakPolarHBondContact CD1-OE1 3.44Å; Y268-E333 WeakPolarHBondContact CE1-OE1 3.19Å; H269-E333 IonicContact CD2-OE2 3.02Å; G318-E333 WeakPolarHBondContact O-CA 3.29Å |
| 334 | R | 98.2 | Very high | 97.8 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123 | -178.4 | -65.5 | -64.8 | 176.5 | -105.5 | 3.8 | 109.9 | L317 G318 L325 L327 E332 T338 | L317-R334 HydrophobicContact CB-CB 4.41Å; L317-R334 WeakPolarHBondContact CB-O 3.44Å; G318-R334 PolarHBondContact N-O 2.75Å; G318-R334 PolarHBondContact O-N 2.97Å; L325-R334 HydrophobicContact CD1-CB 4.34Å; L325-R334 HydrophobicContact CD1-CG 4.06Å; L327-R334 HydrophobicContact CD1-CG 3.78Å; E332-R334 PolarHBondContact O-NH1 2.95Å; R334-T338 WeakPolarHBondContact CD-OG1 3.24Å |
| 335 | S | 97.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 22% | 0.217 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -3.5 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | G272 | G272-S335 CarbonylContact C-O 3.58Å; G272-S335 VanDerWaalsContact CA-O 3.27Å; G272-S335 WeakPolarHBondContact CA-O 3.4Å |
| 336 | E | 96.9 | Very high | 97.8 | Very high | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148 | -179.5 | -63.5 | -172.2 | 178 | 0 | 0 | 110.8 | Q274 C287 T338 | Q274-E336 PolarHBondContact NE2-OE1 3.49Å; C287-E336 HydrophobicContact CB-CG 4.23Å; E336-T338 PolarHBondContact O-N 3.29Å; E336-T338 PolarHBondContact O-OG1 2.89Å |
| 337 | P | 97.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 112.6 | 177.7 | -23.3 | 33.9 | 0 | 0 | 0 | 110.9 | F288 W295 Y315 L317 | F288-P337 HydrophobicContact CD1-CG 3.61Å; F288-P337 HydrophobicContact CE1-CB 4.25Å; F288-P337 HydrophobicContact CE1-CG 3.29Å; F288-P337 HydrophobicContact CG-CG 4.43Å; F288-P337 HydrophobicContact CZ-CG 3.9Å; W295-P337 HydrophobicContact CH2-CB 3.72Å; W295-P337 HydrophobicContact CH2-CG 4.17Å; W295-P337 HydrophobicContact CZ2-CB 4.22Å; W295-P337 HydrophobicContact CZ2-CG 4.23Å; Y315-P337 HydrophobicContact CD1-CB 4.06Å; Y315-P337 HydrophobicContact CG-CB 4.29Å; L317-P337 HydrophobicContact CD2-CB 4.41Å; L317-P337 HydrophobicContact CD2-CG 4.23Å |
| 338 | T | 98.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 23% | 0.233 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.5 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | Y315 S316 L327 R334 E336 V340 | Y315-T338 CarbonylContact C-O 3.56Å; Y315-T338 WeakPolarHBondContact CA-O 3.34Å; S316-T338 PolarHBondContact N-O 2.99Å; S316-T338 PolarHBondContact O-N 2.82Å; L327-T338 HydrophobicContact CD1-CG2 3.82Å; L327-T338 HydrophobicContact CD2-CG2 3.89Å; R334-T338 WeakPolarHBondContact CD-OG1 3.24Å; E336-T338 PolarHBondContact O-N 3.29Å; E336-T338 PolarHBondContact O-OG1 2.89Å; T338-V340 PolarHBondContact O-N 3.42Å |
| 339 | P | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 132.3 | -179.7 | -19.3 | 27 | 0 | 0 | 0 | 111.9 | Y315 L327 | Y315-P339 HydrophobicContact CD1-CB 4.27Å; Y315-P339 HydrophobicContact CD1-CG 3.95Å; Y315-P339 HydrophobicContact CE1-CB 4.16Å; Y315-P339 HydrophobicContact CE1-CG 3.62Å; L327-P339 WeakPolarHBondContact CD2-O 3.42Å |
| 340 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 120.3 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | Q313 V314 L325 L327 T338 I343 W368 P387 | Q313-V340 PolarHBondContact NE2-O 3.37Å; V314-V340 HydrophobicContact CB-CB 4.38Å; V314-V340 HydrophobicContact CG1-CB 4.26Å; V314-V340 HydrophobicContact CG1-CG2 4.25Å; V314-V340 PolarHBondContact O-N 3.06Å; L325-V340 WeakPolarHBondContact O-CG2 3.39Å; L327-V340 HydrophobicContact CD2-CG2 4.03Å; T338-V340 PolarHBondContact O-N 3.42Å; V340-I343 HydrophobicContact CB-CD1 4.36Å; V340-I343 HydrophobicContact CG1-CD1 3.7Å; V340-I343 HydrophobicContact CG1-CG1 4.44Å; V340-W368 HydrophobicContact CG1-CZ2 4.39Å; V340-P387 HydrophobicContact CG1-CG 3.39Å |
| 341 | A | 97.9 | Very high | 98 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 65% | 0.653 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 163 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 342 | G | 96.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 67% | 0.67 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 83 | 14.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 343 | I | 98 | Very high | 98.1 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.138 | 26% | 0.255 | C | S | . | . | trans | -119 | 133.3 | 176.1 | -48.6 | 172.7 | 0 | 0 | 0 | 108 | V314 V340 A358 T360 Y366 W368 P387 | V314-I343 HydrophobicContact CB-CD1 4.19Å; V314-I343 HydrophobicContact CG1-CD1 4.4Å; V314-I343 HydrophobicContact CG2-CD1 4.2Å; V340-I343 HydrophobicContact CB-CD1 4.36Å; V340-I343 HydrophobicContact CG1-CD1 3.7Å; V340-I343 HydrophobicContact CG1-CG1 4.44Å; I343-A358 HydrophobicContact CD1-CB 4.05Å; I343-A358 HydrophobicContact CG2-CB 4.01Å; I343-T360 HydrophobicContact CG2-CG2 4.27Å; I343-Y366 HydrophobicContact CG1-CG 4.44Å; I343-Y366 HydrophobicContact CG2-CD2 3.87Å; I343-Y366 HydrophobicContact CG2-CE2 4.27Å; I343-Y366 HydrophobicContact CG2-CG 4.24Å; I343-W368 HydrophobicContact CD1-CH2 3.7Å; I343-W368 HydrophobicContact CD1-CZ3 3.67Å; I343-P387 HydrophobicContact CD1-CB 3.88Å; I343-P387 HydrophobicContact CD1-CG 3.64Å; I343-P387 HydrophobicContact CG1-CB 3.61Å; I343-P387 HydrophobicContact CG1-CG 3.66Å | ||
| 344 | E | 97.9 | Very high | 98.2 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | trans | -66 | 171.8 | 168.6 | -54.7 | 93.7 | 153.5 | 0 | 0 | 111.4 | A346 T360 Y366 | E344-A346 PolarHBondContact O-N 3.3Å; E344-T360 HydrophobicContact CB-CG2 4.2Å; E344-Y366 PolarHBondContact OE1-OH 2.92Å; E344-Y366 WeakPolarHBondContact OE2-CE2 3.12Å; E344-Y366 PolarHBondContact OE2-OH 3.4Å | ||
| 345 | A | 98.4 | Very high | 98.2 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | trans | -53.9 | 115.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T360 R361 | A345-T360 WeakPolarHBondContact O-CA 3.21Å; A345-R361 WeakPolarHBondContact O-CG 3.41Å; A345-R361 PolarHBondContact O-N 3.33Å | ||
| 346 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 152.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L308 G312 V314 E344 V359 R361 | L308-A346 HydrophobicContact CD1-CB 3.7Å; L308-A346 HydrophobicContact CD2-CB 4.42Å; G312-A346 WeakPolarHBondContact CA-O 3.33Å; G312-A346 PolarHBondContact O-N 3.29Å; V314-A346 HydrophobicContact CG2-CB 3.62Å; E344-A346 PolarHBondContact O-N 3.3Å; A346-V359 WeakPolarHBondContact CA-O 3.43Å; A346-R361 PolarHBondContact O-NE 3.17Å |
| 347 | K | 97.9 | Very high | 98.4 | Very high | 80 Ų | 80 | 28.2 Ų | 28.2 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -14.7 | 168.7 | 68.9 | 175.3 | 176.5 | -176.2 | 0 | 113.1 | V359 T360 R361 V400 | K347-V359 HydrophobicContact CG-CG1 4.28Å; K347-V359 PolarHBondContact N-O 3.45Å; K347-T360 WeakPolarHBondContact CE-O 3.04Å; K347-R361 HydrophobicContact CB-CG 4.02Å; K347-V400 WeakPolarHBondContact CE-O 3.44Å; K347-V400 PolarHBondContact NZ-O 2.81Å |
| 348 | G | 98.2 | Very high | 98.4 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 152.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V359 | G348-V359 PolarHBondContact N-O 3.37Å; G348-V359 PolarHBondContact O-N 3.08Å |
| 349 | V | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.7 | 177.3 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | D297 L306 L308 V314 Y357 | D297-V349 HydrophobicContact CB-CG2 4.22Å; D297-V349 PolarHBondContact OD2-N 2.88Å; L306-V349 HydrophobicContact CB-CB 4.05Å; L306-V349 HydrophobicContact CB-CG2 4.13Å; L306-V349 HydrophobicContact CD1-CB 4.2Å; L308-V349 HydrophobicContact CB-CG1 4.11Å; L308-V349 HydrophobicContact CB-CG2 4.12Å; V314-V349 HydrophobicContact CG1-CG1 4Å; V314-V349 HydrophobicContact CG2-CG1 3.92Å; V349-Y357 WeakPolarHBondContact CA-O 3.16Å |
| 350 | S | 98.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 22.2 Ų | 22.2 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.7 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | S299 L306 S356 Y357 A403 | S299-S350 WeakPolarHBondContact OG-CA 3.34Å; L306-S350 WeakPolarHBondContact CD1-O 3.49Å; S350-S356 CarbonylContact O-C 3.09Å; S350-Y357 PolarHBondContact N-O 3.5Å; S350-Y357 PolarHBondContact O-N 3.14Å; S350-A403 PolarHBondContact OG-O 3.07Å |
| 351 | C | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.081 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.7 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | S299 G300 G301 V355 | S299-C351 VanDerWaalsContact C-SG 3.53Å; S299-C351 PolarHBondContact O-SG 3.07Å; S299-C351 VanDerWaalsContact O-SG 3.36Å; S299-C351 WeakPolarHBondContact OG-CB 3.33Å; S299-C351 PolarHBondContact OG-N 2.89Å; S299-C351 PolarHBondContact OG-SG 3.1Å; G300-C351 VanDerWaalsContact C-CB 3.48Å; G301-C351 VanDerWaalsContact N-CB 3.32Å; C351-V355 WeakPolarHBondContact CA-O 3.36Å |
| 352 | G | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | trans | -96.7 | -162 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G301 S354 V355 S405 | G301-G352 WeakPolarHBondContact CA-O 3.34Å; G352-S354 PolarHBondContact O-N 2.77Å; G352-V355 PolarHBondContact N-O 3.02Å; G352-S405 VanDerWaalsContact CA-CB 3.48Å; G352-S405 VanDerWaalsContact CA-OG 3.27Å; G352-S405 WeakPolarHBondContact CA-OG 3.3Å | ||
| 353 | A | 98.4 | Very high | 98.4 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -57.4 | -48.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q302 G406 | Q302-A353 HydrophobicContact CG-CB 4.24Å; Q302-A353 PolarHBondContact N-O 3.36Å; Q302-A353 VanDerWaalsContact N-O 3.08Å; A353-G406 PolarHBondContact N-O 2.86Å |
| 354 | S | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -137.1 | 23.5 | 179.9 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | R324 G352 M370 | R324-S354 PolarHBondContact NH1-OG 3.12Å; G352-S354 PolarHBondContact O-N 2.77Å; S354-M370 PolarHBondContact O-N 2.76Å; S354-M370 VanDerWaalsContact O-N 3.09Å |
| 355 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 163.7 | -179.9 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | H304 C351 G352 Y357 W368 M370 Q375 L376 S405 | H304-V355 PolarHBondContact CE1-O 3.08Å; H304-V355 PolarHBondContact NE2-O 2.86Å; H304-V355 VanDerWaalsContact NE2-O 3.14Å; C351-V355 WeakPolarHBondContact CA-O 3.36Å; G352-V355 PolarHBondContact N-O 3.02Å; V355-Y357 HydrophobicContact CB-CE2 4.21Å; V355-Y357 HydrophobicContact CG2-CE2 3.64Å; V355-W368 WeakPolarHBondContact CA-O 3.34Å; V355-M370 HydrophobicContact CG1-CB 4.36Å; V355-M370 WeakPolarHBondContact CG1-O 3.3Å; V355-Q375 HydrophobicContact CG1-CB 4.28Å; V355-Q375 HydrophobicContact CG2-CB 4.33Å; V355-L376 HydrophobicContact CB-CD2 4.25Å; V355-L376 HydrophobicContact CG1-CD2 3.81Å; V355-S405 WeakPolarHBondContact CG2-OG 3.36Å |
| 356 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.2 | -170.2 | -74.7 | 0 | 0 | 0 | 0 | 110.5 | H304 R324 S350 A367 W368 | H304-S356 PolarHBondContact CD2-OG 2.8Å; H304-S356 PolarHBondContact NE2-OG 2.97Å; R324-S356 PolarHBondContact O-OG 2.84Å; S350-S356 CarbonylContact O-C 3.09Å; S356-A367 VanDerWaalsContact O-CA 3.3Å; S356-A367 WeakPolarHBondContact O-CA 3.3Å; S356-W368 PolarHBondContact N-O 3.43Å; S356-W368 PolarHBondContact O-N 3.06Å; S356-W368 PolarHBondContact OG-NE1 3Å |
| 357 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.5 | -178.4 | -57.7 | -88 | 0 | 0 | 0 | 111.7 | V349 S350 V355 V365 Y366 A367 Q375 M390 A403 S405 T410 | V349-Y357 WeakPolarHBondContact CA-O 3.16Å; S350-Y357 PolarHBondContact N-O 3.5Å; S350-Y357 PolarHBondContact O-N 3.14Å; V355-Y357 HydrophobicContact CB-CE2 4.21Å; V355-Y357 HydrophobicContact CG2-CE2 3.64Å; Y357-V365 HydrophobicContact CD1-CG2 4.5Å; Y357-Y366 WeakPolarHBondContact CA-O 3.5Å; Y357-A367 HydrophobicContact CD1-CB 3.68Å; Y357-A367 HydrophobicContact CE1-CB 3.53Å; Y357-Q375 VanDerWaalsContact OH-C 3.28Å; Y357-Q375 WeakPolarHBondContact OH-CB 3.5Å; Y357-Q375 PolarHBondContact OH-O 2.67Å; Y357-M390 HydrophobicContact CD1-SD 4.1Å; Y357-M390 HydrophobicContact CE1-SD 4.01Å; Y357-A403 HydrophobicContact CG-CB 4.43Å; Y357-S405 VanDerWaalsContact CE2-CB 3.44Å; Y357-T410 HydrophobicContact CE1-CG2 3.97Å; Y357-T410 HydrophobicContact CE2-CG2 4.11Å; Y357-T410 PolarHBondContact OH-OG1 2.97Å |
| 358 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | V314 I343 V365 Y366 W368 | V314-A358 HydrophobicContact CG2-CB 3.95Å; I343-A358 HydrophobicContact CD1-CB 4.05Å; I343-A358 HydrophobicContact CG2-CB 4.01Å; A358-V365 WeakPolarHBondContact O-CA 3.44Å; A358-Y366 PolarHBondContact N-O 2.88Å; A358-Y366 PolarHBondContact O-N 3.23Å; A358-W368 HydrophobicContact CB-CH2 3.98Å; A358-W368 HydrophobicContact CB-CZ3 4Å |
| 359 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.2 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | A346 K347 G348 S364 V365 V400 A403 | A346-V359 WeakPolarHBondContact CA-O 3.43Å; K347-V359 HydrophobicContact CG-CG1 4.28Å; K347-V359 PolarHBondContact N-O 3.45Å; G348-V359 PolarHBondContact N-O 3.37Å; G348-V359 PolarHBondContact O-N 3.08Å; V359-S364 CarbonylContact C-O 3.57Å; V359-S364 WeakPolarHBondContact CA-O 3.35Å; V359-V365 HydrophobicContact CG2-CB 4.47Å; V359-V365 HydrophobicContact CG2-CG2 4.1Å; V359-V400 HydrophobicContact CG1-CB 4.05Å; V359-V400 HydrophobicContact CG1-CG1 4Å; V359-V400 VanDerWaalsContact CG1-O 3.25Å; V359-V400 WeakPolarHBondContact CG1-O 3.38Å; V359-V400 HydrophobicContact CG2-CG1 3.93Å; V359-A403 HydrophobicContact CG2-CB 3.98Å |
| 360 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 160.4 | -178.2 | 82.9 | 0 | 0 | 0 | 0 | 112.5 | I343 E344 A345 K347 E362 G363 S364 Y366 | I343-T360 HydrophobicContact CG2-CG2 4.27Å; E344-T360 HydrophobicContact CB-CG2 4.2Å; A345-T360 WeakPolarHBondContact O-CA 3.21Å; K347-T360 WeakPolarHBondContact CE-O 3.04Å; T360-E362 WeakPolarHBondContact CB-OE2 3.42Å; T360-E362 PolarHBondContact O-N 3.38Å; T360-E362 PolarHBondContact OG1-N 2.75Å; T360-E362 PolarHBondContact OG1-OE2 3.38Å; T360-E362 VanDerWaalsContact OG1-OE2 3.09Å; T360-G363 PolarHBondContact O-N 3.26Å; T360-G363 PolarHBondContact OG1-N 2.93Å; T360-S364 PolarHBondContact N-O 3.19Å; T360-S364 PolarHBondContact OG1-N 3.04Å; T360-S364 VanDerWaalsContact OG1-N 3.09Å; T360-Y366 HydrophobicContact CG2-CD2 3.92Å; T360-Y366 HydrophobicContact CG2-CE2 3.69Å |
| 361 | R | 97.7 | Very high | 98.5 | Very high | 127 Ų | 127 | 17.3 Ų | 17.3 | 48% | 0.479 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -30.7 | 174.8 | -71.8 | 172.5 | -174.6 | -172.7 | -2.6 | 112 | A310 E311 A345 A346 K347 G363 | A310-R361 PolarHBondContact O-NH2 3.02Å; E311-R361 PolarHBondContact O-NH2 3.03Å; A345-R361 WeakPolarHBondContact O-CG 3.41Å; A345-R361 PolarHBondContact O-N 3.33Å; A346-R361 PolarHBondContact O-NE 3.17Å; K347-R361 HydrophobicContact CB-CG 4.02Å; R361-G363 VanDerWaalsContact C-N 3.25Å; R361-G363 PolarHBondContact O-N 2.85Å |
| 362 | E | 96.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 20.4 Ų | 20.4 | 50% | 0.495 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.7 | 177.2 | -54.8 | 71.3 | -155.2 | 0 | 0 | 113.1 | T360 | T360-E362 WeakPolarHBondContact CB-OE2 3.42Å; T360-E362 PolarHBondContact O-N 3.38Å; T360-E362 PolarHBondContact OG1-N 2.75Å; T360-E362 PolarHBondContact OG1-OE2 3.38Å; T360-E362 VanDerWaalsContact OG1-OE2 3.09Å |
| 363 | G | 97.2 | Very high | 98.4 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 81.5 | 19.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T360 R361 V400 | T360-G363 PolarHBondContact O-N 3.26Å; T360-G363 PolarHBondContact OG1-N 2.93Å; R361-G363 VanDerWaalsContact C-N 3.25Å; R361-G363 PolarHBondContact O-N 2.85Å; G363-V400 PolarHBondContact O-N 3.15Å |
| 364 | S | 98.2 | Very high | 98.4 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 13% | 0.133 | 10% | 0.101 | C | C | . | . | trans | -80.8 | 157.7 | 165.9 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | V359 T360 K389 | V359-S364 CarbonylContact C-O 3.57Å; V359-S364 WeakPolarHBondContact CA-O 3.35Å; T360-S364 PolarHBondContact N-O 3.19Å; T360-S364 PolarHBondContact OG1-N 3.04Å; T360-S364 VanDerWaalsContact OG1-N 3.09Å; S364-K389 VanDerWaalsContact OG-CE 3.28Å; S364-K389 WeakPolarHBondContact OG-CE 3.44Å; S364-K389 PolarHBondContact OG-NZ 3.02Å | ||
| 365 | V | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.3 | 171.6 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | Y357 A358 V359 M390 L395 V400 A403 | Y357-V365 HydrophobicContact CD1-CG2 4.5Å; A358-V365 WeakPolarHBondContact O-CA 3.44Å; V359-V365 HydrophobicContact CG2-CB 4.47Å; V359-V365 HydrophobicContact CG2-CG2 4.1Å; V365-M390 HydrophobicContact CB-SD 4.43Å; V365-M390 HydrophobicContact CG1-CB 3.81Å; V365-M390 HydrophobicContact CG1-CG 3.98Å; V365-M390 HydrophobicContact CG1-SD 3.66Å; V365-M390 HydrophobicContact CG2-SD 3.9Å; V365-M390 PolarHBondContact O-N 2.83Å; V365-L395 HydrophobicContact CG1-CD1 4.4Å; V365-V400 HydrophobicContact CB-CB 4.24Å; V365-V400 HydrophobicContact CB-CG1 4.17Å; V365-V400 HydrophobicContact CB-CG2 3.99Å; V365-V400 HydrophobicContact CG1-CG2 3.77Å; V365-A403 HydrophobicContact CG2-CB 4.45Å |
| 366 | Y | 98.9 | Very high | 98.4 | Very high | 20 Ų | 20 | 20 Ų | 20 | 8% | 0.078 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.2 | 175 | -70.2 | -101.4 | 0 | 0 | 0 | 109.5 | I343 E344 Y357 A358 T360 P387 V388 K389 | I343-Y366 HydrophobicContact CG1-CG 4.44Å; I343-Y366 HydrophobicContact CG2-CD2 3.87Å; I343-Y366 HydrophobicContact CG2-CE2 4.27Å; I343-Y366 HydrophobicContact CG2-CG 4.24Å; E344-Y366 PolarHBondContact OE1-OH 2.92Å; E344-Y366 WeakPolarHBondContact OE2-CE2 3.12Å; E344-Y366 PolarHBondContact OE2-OH 3.4Å; Y357-Y366 WeakPolarHBondContact CA-O 3.5Å; A358-Y366 PolarHBondContact N-O 2.88Å; A358-Y366 PolarHBondContact O-N 3.23Å; T360-Y366 HydrophobicContact CG2-CD2 3.92Å; T360-Y366 HydrophobicContact CG2-CE2 3.69Å; Y366-P387 HydrophobicContact CD1-CB 4.02Å; Y366-P387 HydrophobicContact CG-CB 4.46Å; Y366-V388 CarbonylContact C-O 3.59Å; Y366-V388 VanDerWaalsContact CA-O 3.27Å; Y366-V388 WeakPolarHBondContact CA-O 3.23Å; Y366-K389 HydrophobicContact CD1-CB 4.04Å; Y366-K389 HydrophobicContact CE1-CB 3.64Å; Y366-K389 HydrophobicContact CE1-CG 4.29Å; Y366-K389 HydrophobicContact CE2-CG 4.46Å |
| 367 | A | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S356 Y357 L376 V388 M390 | S356-A367 VanDerWaalsContact O-CA 3.3Å; S356-A367 WeakPolarHBondContact O-CA 3.3Å; Y357-A367 HydrophobicContact CD1-CB 3.68Å; Y357-A367 HydrophobicContact CE1-CB 3.53Å; A367-L376 HydrophobicContact CB-CB 4.38Å; A367-L376 HydrophobicContact CB-CD2 4.15Å; A367-V388 PolarHBondContact N-O 2.82Å; A367-V388 PolarHBondContact O-N 2.9Å; A367-M390 HydrophobicContact CB-CG 3.8Å; A367-M390 HydrophobicContact CB-SD 3.92Å |
| 368 | W | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 167.1 | 170.9 | 61.7 | 94.6 | 0 | 0 | 0 | 110.7 | L306 V314 R324 L325 V340 I343 V355 S356 A358 E384 P387 | L306-W368 HydrophobicContact CD1-CH2 4.16Å; L306-W368 HydrophobicContact CD1-CZ2 3.88Å; L306-W368 HydrophobicContact CD2-CZ2 3.67Å; L306-W368 HydrophobicContact CG-CZ2 4.43Å; V314-W368 HydrophobicContact CG1-CH2 4.17Å; V314-W368 HydrophobicContact CG1-CZ2 4.41Å; R324-W368 PolarHBondContact O-NE1 3.43Å; R324-W368 VanDerWaalsContact O-NE1 3.13Å; L325-W368 VanDerWaalsContact C-NE1 3.31Å; L325-W368 PolarHBondContact O-NE1 2.83Å; V340-W368 HydrophobicContact CG1-CZ2 4.39Å; I343-W368 HydrophobicContact CD1-CH2 3.7Å; I343-W368 HydrophobicContact CD1-CZ3 3.67Å; V355-W368 WeakPolarHBondContact CA-O 3.34Å; S356-W368 PolarHBondContact N-O 3.43Å; S356-W368 PolarHBondContact O-N 3.06Å; S356-W368 PolarHBondContact OG-NE1 3Å; A358-W368 HydrophobicContact CB-CH2 3.98Å; A358-W368 HydrophobicContact CB-CZ3 4Å; W368-E384 HydrophobicContact CB-CB 4.44Å; W368-P387 HydrophobicContact CD2-CB 4.39Å; W368-P387 HydrophobicContact CD2-CG 4.15Å; W368-P387 HydrophobicContact CE3-CB 3.72Å; W368-P387 HydrophobicContact CE3-CG 3.87Å; W368-P387 HydrophobicContact CZ3-CB 4.12Å; W368-P387 HydrophobicContact CZ3-CG 4.22Å |
| 369 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.4 | -150.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y322 G371 L376 D383 E384 | Y322-G369 CarbonylContact O-C 3.23Å; Y322-G369 WeakPolarHBondContact O-CA 3.48Å; G369-G371 PolarHBondContact O-N 3.01Å; G369-L376 WeakPolarHBondContact O-CD1 3.22Å; G369-D383 WeakPolarHBondContact O-CA 3.42Å; G369-E384 PolarHBondContact N-O 3.3Å; G369-E384 PolarHBondContact O-N 3.39Å |
| 370 | M | 98.7 | Very high | 97.7 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 16% | 0.158 | 14% | 0.14 | C | C | . | . | trans | -68.5 | 125.8 | -173.8 | -170.5 | -174.2 | 78.5 | 0 | 0 | 112.8 | Y322 S354 V355 N373 D383 | Y322-M370 HydrophobicContact CD2-CB 4.46Å; Y322-M370 HydrophobicContact CD2-CG 4.33Å; Y322-M370 HydrophobicContact CD2-SD 4.24Å; Y322-M370 HydrophobicContact CG-CB 4.42Å; Y322-M370 HydrophobicContact CG-CG 4.32Å; Y322-M370 PolarHBondContact O-N 2.92Å; S354-M370 PolarHBondContact O-N 2.76Å; S354-M370 VanDerWaalsContact O-N 3.09Å; V355-M370 HydrophobicContact CG1-CB 4.36Å; V355-M370 WeakPolarHBondContact CG1-O 3.3Å; M370-N373 VanDerWaalsContact CE-ND2 3.34Å; M370-N373 WeakPolarHBondContact CE-ND2 3.5Å; M370-D383 VanDerWaalsContact CA-OD1 3.26Å; M370-D383 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 371 | G | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -86.8 | -20.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | G369 N373 L374 E381 E382 D383 | G369-G371 PolarHBondContact O-N 3.01Å; G371-N373 PolarHBondContact O-N 3.29Å; G371-L374 PolarHBondContact O-N 2.89Å; G371-E381 CarbonylContact C-O 3.33Å; G371-E381 VanDerWaalsContact CA-O 3.31Å; G371-E381 WeakPolarHBondContact CA-O 3.4Å; G371-E382 WeakPolarHBondContact CA-O 3.49Å; G371-D383 PolarHBondContact N-OD1 3.36Å | ||
| 372 | T | 98.2 | Very high | 97.6 | Very high | 77 Ų | 77 | 31.8 Ų | 31.8 | 47% | 0.472 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -33.6 | -167 | -44.4 | 0 | 0 | 0 | 0 | 115 | L374 E381 | T372-L374 VanDerWaalsContact C-N 3.35Å; T372-E381 PolarHBondContact N-O 3.02Å |
| 373 | N | 98.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 9.3 | -178.9 | -66.5 | -33.5 | 0 | 0 | 0 | 113.4 | G45 Q46 M370 G371 Q375 G407 Q408 | G45-N373 WeakPolarHBondContact CA-O 3.44Å; Q46-N373 HydrophobicContact CG-CB 4.24Å; M370-N373 VanDerWaalsContact CE-ND2 3.34Å; M370-N373 WeakPolarHBondContact CE-ND2 3.5Å; G371-N373 PolarHBondContact O-N 3.29Å; N373-Q375 HydrophobicContact CB-CG 3.81Å; N373-Q375 PolarHBondContact ND2-OE1 3.34Å; N373-Q375 PolarHBondContact O-N 2.72Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; N373-G407 PolarHBondContact ND2-O 2.84Å; N373-Q408 HydrophobicContact CB-CB 4.32Å |
| 374 | L | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 60.2 | 17.1 | -177.5 | -57.7 | 163.8 | 0 | 0 | 0 | 114.2 | E60 R62 G371 T372 L376 G377 E381 | E60-L374 HydrophobicContact CB-CD1 4.45Å; R62-L374 HydrophobicContact CB-CD1 4.45Å; R62-L374 HydrophobicContact CB-CD2 4.41Å; R62-L374 HydrophobicContact CG-CD1 3.5Å; R62-L374 VanDerWaalsContact CG-CD1 3.5Å; R62-L374 HydrophobicContact CG-CD2 3.84Å; R62-L374 HydrophobicContact CG-CG 4.18Å; G371-L374 PolarHBondContact O-N 2.89Å; T372-L374 VanDerWaalsContact C-N 3.35Å; L374-L376 PolarHBondContact O-N 2.66Å; L374-G377 PolarHBondContact O-N 2.8Å; L374-E381 HydrophobicContact CD2-CG 3.49Å; L374-E381 VanDerWaalsContact CD2-CG 3.49Å; L374-E381 HydrophobicContact CG-CG 4.14Å |
| 375 | Q | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.4 | -176.6 | -72.1 | 178.6 | -85.7 | 0 | 0 | 112.4 | L44 V355 Y357 N373 G377 S405 G406 G407 Q408 H409 | L44-Q375 WeakPolarHBondContact CD1-O 3.37Å; V355-Q375 HydrophobicContact CG1-CB 4.28Å; V355-Q375 HydrophobicContact CG2-CB 4.33Å; Y357-Q375 VanDerWaalsContact OH-C 3.28Å; Y357-Q375 WeakPolarHBondContact OH-CB 3.5Å; Y357-Q375 PolarHBondContact OH-O 2.67Å; N373-Q375 HydrophobicContact CB-CG 3.81Å; N373-Q375 PolarHBondContact ND2-OE1 3.34Å; N373-Q375 PolarHBondContact O-N 2.72Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-G377 VanDerWaalsContact C-N 3.34Å; Q375-S405 PolarHBondContact NE2-OG 3.42Å; Q375-G406 PolarHBondContact NE2-O 3.29Å; Q375-G407 PolarHBondContact OE1-O 2.93Å; Q375-Q408 VanDerWaalsContact CD-C 3.43Å; Q375-Q408 WeakPolarHBondContact CG-O 3.46Å; Q375-H409 PolarHBondContact NE2-O 2.86Å; Q375-H409 VanDerWaalsContact NE2-O 3.13Å |
| 376 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.4 | -178 | -53 | -177.7 | 0 | 0 | 0 | 113.2 | V355 A367 G369 L374 T378 E384 | V355-L376 HydrophobicContact CB-CD2 4.25Å; V355-L376 HydrophobicContact CG1-CD2 3.81Å; A367-L376 HydrophobicContact CB-CB 4.38Å; A367-L376 HydrophobicContact CB-CD2 4.15Å; G369-L376 WeakPolarHBondContact O-CD1 3.22Å; L374-L376 PolarHBondContact O-N 2.66Å; L376-T378 HydrophobicContact CB-CG2 4.13Å; L376-T378 PolarHBondContact O-N 2.94Å; L376-E384 HydrophobicContact CD1-CB 3.82Å; L376-E384 HydrophobicContact CD1-CG 3.55Å |
| 377 | G | 97.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | 68.2 | 12.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L44 L374 Q375 G379 | L44-G377 VanDerWaalsContact CD1-CA 3.45Å; L374-G377 PolarHBondContact O-N 2.8Å; Q375-G377 VanDerWaalsContact C-N 3.34Å; G377-G379 VanDerWaalsContact C-N 3.29Å | ||
| 378 | T | 95.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 23% | 0.233 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -67.5 | -33.7 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 111.1 | L376 E380 E384 V388 | L376-T378 HydrophobicContact CB-CG2 4.13Å; L376-T378 PolarHBondContact O-N 2.94Å; T378-E380 PolarHBondContact OG1-N 2.99Å; T378-E380 PolarHBondContact OG1-O 3.07Å; T378-E384 HydrophobicContact CG2-CG 4.21Å; T378-V388 HydrophobicContact CG2-CG1 4.18Å |
| 379 | G | 93.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 111.6 | -14 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G377 | G377-G379 VanDerWaalsContact C-N 3.29Š|
| 380 | E | 94.8 | Very high | 97.7 | Very high | 119 Ų | 119 | 43 Ų | 43 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -120.6 | 170.1 | -172.3 | -44.7 | -64.8 | 156.3 | 0 | 0 | 110.7 | T378 E382 | T378-E380 PolarHBondContact OG1-N 2.99Å; T378-E380 PolarHBondContact OG1-O 3.07Å; E380-E382 WeakPolarHBondContact CB-OE2 3.17Å |
| 381 | E | 96.8 | Very high | 97.6 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | trans | -104.1 | 2.5 | -172.6 | -70 | 171.1 | -153.2 | 0 | 0 | 113.2 | R62 G371 T372 L374 | R62-E381 IonicContact CZ-OE1 3.81Å; R62-E381 IonicContact NH1-OE1 3.98Å; R62-E381 PolarHBondContact NH1-OE1 3.32Å; R62-E381 VanDerWaalsContact NH1-OE1 3.1Å; R62-E381 IonicContact NH2-OE1 2.66Å; R62-E381 PolarHBondContact NH2-OE1 2.88Å; G371-E381 CarbonylContact C-O 3.33Å; G371-E381 VanDerWaalsContact CA-O 3.31Å; G371-E381 WeakPolarHBondContact CA-O 3.4Å; T372-E381 PolarHBondContact N-O 3.02Å; L374-E381 HydrophobicContact CD2-CG 3.49Å; L374-E381 VanDerWaalsContact CD2-CG 3.49Å; L374-E381 HydrophobicContact CG-CG 4.14Å | ||
| 382 | E | 98.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 47.6 Ų | 47.6 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -72.1 | 142.9 | 179.9 | -71.8 | 77.5 | 177.2 | 0 | 0 | 111.9 | G371 E380 | G371-E382 WeakPolarHBondContact CA-O 3.49Å; E380-E382 WeakPolarHBondContact CB-OE2 3.17Å |
| 383 | D | 98.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | trans | -69.3 | 134.5 | 174.7 | -63.5 | -20.1 | 0 | 0 | 0 | 110.7 | Y322 G369 M370 G371 | Y322-D383 WeakPolarHBondContact CD1-OD2 3.36Å; G369-D383 WeakPolarHBondContact O-CA 3.42Å; M370-D383 VanDerWaalsContact CA-OD1 3.26Å; M370-D383 WeakPolarHBondContact CA-OD1 3.31Å; G371-D383 PolarHBondContact N-OD1 3.36Å | ||
| 384 | E | 98.6 | Very high | 97.4 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.3 | 175.8 | -67.2 | -66.8 | 175.5 | 0 | 0 | 109.9 | W368 G369 L376 T378 V388 | W368-E384 HydrophobicContact CB-CB 4.44Å; G369-E384 PolarHBondContact N-O 3.3Å; G369-E384 PolarHBondContact O-N 3.39Å; L376-E384 HydrophobicContact CD1-CB 3.82Å; L376-E384 HydrophobicContact CD1-CG 3.55Å; T378-E384 HydrophobicContact CG2-CG 4.21Å; E384-V388 HydrophobicContact CB-CG2 4.2Å; E384-V388 HydrophobicContact CG-CG2 3.94Å; E384-V388 VanDerWaalsContact OE2-CG2 3.32Å; E384-V388 WeakPolarHBondContact OE2-CG2 3.44Å |
| 385 | W | 98.6 | Very high | 97.3 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -11.7 | -176.9 | -66.5 | 76.6 | 0 | 0 | 0 | 113.6 | G326 L327 G328 E329 | G326-W385 CarbonylContact C-O 2.93Å; G326-W385 VanDerWaalsContact CA-O 3.28Å; G326-W385 WeakPolarHBondContact CA-O 3.27Å; L327-W385 PolarHBondContact N-O 2.85Å; G328-W385 WeakPolarHBondContact CA-O 3.28Å; G328-W385 PolarHBondContact N-O 2.66Å; E329-W385 HydrophobicContact CG-CB 4Å; E329-W385 HydrophobicContact CG-CD2 4.49Å; E329-W385 HydrophobicContact CG-CG 3.96Å |
| 386 | S | 98.6 | Very high | 97.2 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 156.1 | 174.8 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | V388 | S386-V388 PolarHBondContact O-N 3.45Å |
| 387 | P | 98.8 | Very high | 97 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 13% | 0.13 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 123.2 | 176.5 | -24.4 | 34.7 | 0 | 0 | 0 | 112.4 | G326 V340 I343 Y366 W368 | G326-P387 WeakPolarHBondContact O-CD 3.43Å; V340-P387 HydrophobicContact CG1-CG 3.39Å; I343-P387 HydrophobicContact CD1-CB 3.88Å; I343-P387 HydrophobicContact CD1-CG 3.64Å; I343-P387 HydrophobicContact CG1-CB 3.61Å; I343-P387 HydrophobicContact CG1-CG 3.66Å; Y366-P387 HydrophobicContact CD1-CB 4.02Å; Y366-P387 HydrophobicContact CG-CB 4.46Å; W368-P387 HydrophobicContact CD2-CB 4.39Å; W368-P387 HydrophobicContact CD2-CG 4.15Å; W368-P387 HydrophobicContact CE3-CB 3.72Å; W368-P387 HydrophobicContact CE3-CG 3.87Å; W368-P387 HydrophobicContact CZ3-CB 4.12Å; W368-P387 HydrophobicContact CZ3-CG 4.22Å |
| 388 | V | 98.5 | Very high | 97.1 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.3 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | Y366 A367 T378 E384 S386 M390 | Y366-V388 CarbonylContact C-O 3.59Å; Y366-V388 VanDerWaalsContact CA-O 3.27Å; Y366-V388 WeakPolarHBondContact CA-O 3.23Å; A367-V388 PolarHBondContact N-O 2.82Å; A367-V388 PolarHBondContact O-N 2.9Å; T378-V388 HydrophobicContact CG2-CG1 4.18Å; E384-V388 HydrophobicContact CB-CG2 4.2Å; E384-V388 HydrophobicContact CG-CG2 3.94Å; E384-V388 VanDerWaalsContact OE2-CG2 3.32Å; E384-V388 WeakPolarHBondContact OE2-CG2 3.44Å; S386-V388 PolarHBondContact O-N 3.45Å; V388-M390 PolarHBondContact O-N 2.65Å |
| 389 | K | 98.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 121.1 | 175.7 | -171.1 | 172.1 | -173.6 | 150.1 | 0 | 109.8 | S364 Y366 M391 | S364-K389 VanDerWaalsContact OG-CE 3.28Å; S364-K389 WeakPolarHBondContact OG-CE 3.44Å; S364-K389 PolarHBondContact OG-NZ 3.02Å; Y366-K389 HydrophobicContact CD1-CB 4.04Å; Y366-K389 HydrophobicContact CE1-CB 3.64Å; Y366-K389 HydrophobicContact CE1-CG 4.29Å; Y366-K389 HydrophobicContact CE2-CG 4.46Å; K389-M391 HydrophobicContact CD-SD 4.12Å; K389-M391 HydrophobicContact CG-SD 4.02Å |
| 390 | M | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | trans | -72.5 | 134 | 177.2 | -51.6 | 175.2 | 66.5 | 0 | 0 | 109.9 | L44 P64 Y357 V365 A367 V388 L395 L412 | L44-M390 HydrophobicContact CD1-CE 3.72Å; L44-M390 HydrophobicContact CD2-CE 4.06Å; P64-M390 HydrophobicContact CG-CE 4.28Å; Y357-M390 HydrophobicContact CD1-SD 4.1Å; Y357-M390 HydrophobicContact CE1-SD 4.01Å; V365-M390 HydrophobicContact CB-SD 4.43Å; V365-M390 HydrophobicContact CG1-CB 3.81Å; V365-M390 HydrophobicContact CG1-CG 3.98Å; V365-M390 HydrophobicContact CG1-SD 3.66Å; V365-M390 HydrophobicContact CG2-SD 3.9Å; V365-M390 PolarHBondContact O-N 2.83Å; A367-M390 HydrophobicContact CB-CG 3.8Å; A367-M390 HydrophobicContact CB-SD 3.92Å; V388-M390 PolarHBondContact O-N 2.65Å; M390-L395 HydrophobicContact CB-CD1 4Å; M390-L412 HydrophobicContact CE-CD1 4.26Å | ||
| 391 | M | 96.1 | Very high | 97.6 | Very high | 113 Ų | 113 | 63.6 Ų | 63.6 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | trans | -131.4 | 155.3 | -178.4 | -59.8 | -61 | -67.3 | 0 | 0 | 110.7 | K389 | K389-M391 HydrophobicContact CD-SD 4.12Å; K389-M391 HydrophobicContact CG-SD 4.02Å | ||
| 392 | G | 94.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | trans | 160 | 164.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q394 L395 E396 | G392-Q394 PolarHBondContact O-N 3.09Å; G392-L395 WeakPolarHBondContact O-CA 3.48Å; G392-L395 PolarHBondContact O-N 2.85Å; G392-E396 PolarHBondContact O-N 2.84Å; G392-E396 VanDerWaalsContact O-N 3.15Å | ||
| 393 | K | 96.6 | Very high | 97.7 | Very high | 172 Ų | 172 | 55.4 Ų | 55.4 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -36.3 | -176 | -175.7 | 178.2 | 178.6 | 179.5 | 0 | 113.8 | L395 | K393-L395 VanDerWaalsContact C-N 3.31Š|
| 394 | Q | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 54 Ų | 54 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.9 | -179.6 | -65.5 | -61.2 | -29.7 | 0 | 0 | 114.3 | L42 P64 G392 R398 | L42-Q394 HydrophobicContact CD1-CB 3.86Å; L42-Q394 HydrophobicContact CD2-CB 3.93Å; L42-Q394 HydrophobicContact CD2-CG 4.44Å; P64-Q394 WeakPolarHBondContact O-CG 3.31Å; G392-Q394 PolarHBondContact O-N 3.09Å; Q394-R398 WeakPolarHBondContact O-CD 3.22Å; Q394-R398 PolarHBondContact O-NH1 2.87Å |
| 395 | L | 97.5 | Very high | 97.7 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -14.4 | 174.7 | -65.7 | 177.1 | 0 | 0 | 0 | 112.4 | L42 P64 V365 M390 G392 K393 N397 R398 V400 L412 V414 | L42-L395 HydrophobicContact CD1-CD2 3.68Å; L42-L395 HydrophobicContact CD1-CG 4.34Å; P64-L395 HydrophobicContact CG-CD1 3.98Å; P64-L395 HydrophobicContact CG-CG 4.26Å; V365-L395 HydrophobicContact CG1-CD1 4.4Å; M390-L395 HydrophobicContact CB-CD1 4Å; G392-L395 WeakPolarHBondContact O-CA 3.48Å; G392-L395 PolarHBondContact O-N 2.85Å; K393-L395 VanDerWaalsContact C-N 3.31Å; L395-N397 PolarHBondContact O-N 3.12Å; L395-R398 PolarHBondContact O-N 3.07Å; L395-V400 HydrophobicContact CD2-CG2 3.88Å; L395-L412 HydrophobicContact CD2-CD1 4.16Å; L395-V414 HydrophobicContact CD2-CG1 4.07Å |
| 396 | E | 95.8 | Very high | 97.6 | Very high | 123 Ų | 123 | 48.7 Ų | 48.7 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 134 | 173.2 | -72.7 | 169.2 | -156.8 | 0 | 0 | 110.6 | G392 R398 | G392-E396 PolarHBondContact O-N 2.84Å; G392-E396 VanDerWaalsContact O-N 3.15Å; E396-R398 PolarHBondContact O-N 3.36Å; E396-R398 VanDerWaalsContact O-N 3.1Å |
| 397 | N | 95.1 | Very high | 97.5 | Very high | 135 Ų | 135 | 47 Ų | 47 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 22.9 | -177.8 | -57.1 | -34 | 0 | 0 | 0 | 115 | L395 K417 | L395-N397 PolarHBondContact O-N 3.12Å; N397-K417 WeakPolarHBondContact O-CB 3.36Å; N397-K417 PolarHBondContact O-N 3.04Å |
| 398 | R | 97.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154.4 | 174.5 | -61.6 | -161.4 | 177.1 | 139.1 | -8.3 | 112.1 | Q394 L395 E396 V414 K415 D416 K417 | Q394-R398 WeakPolarHBondContact O-CD 3.22Å; Q394-R398 PolarHBondContact O-NH1 2.87Å; L395-R398 PolarHBondContact O-N 3.07Å; E396-R398 PolarHBondContact O-N 3.36Å; E396-R398 VanDerWaalsContact O-N 3.1Å; R398-V414 HydrophobicContact CB-CB 4.36Å; R398-K415 CarbonylContact C-O 3.5Å; R398-K415 WeakPolarHBondContact CA-O 3.31Å; R398-K415 WeakPolarHBondContact CB-O 3.25Å; R398-D416 WeakPolarHBondContact CD-OD1 3.29Å; R398-D416 WeakPolarHBondContact CG-OD1 3.41Å; R398-D416 IonicContact CZ-OD1 2.94Å; R398-D416 IonicContact NE-OD1 3.03Å; R398-D416 PolarHBondContact NE-OD1 2.95Å; R398-D416 IonicContact NH2-OD1 3.41Å; R398-K417 WeakPolarHBondContact O-CE 3.49Å |
| 399 | E | 97.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135 | 166.4 | 60.8 | -176.4 | -179.3 | 0 | 0 | 109.4 | L401 V414 K415 K417 | E399-L401 HydrophobicContact CG-CD2 4.01Å; E399-V414 CarbonylContact O-C 3.22Å; E399-V414 VanDerWaalsContact O-CA 3.28Å; E399-V414 WeakPolarHBondContact O-CA 3.12Å; E399-K415 HydrophobicContact CG-CB 4Å; E399-K415 HydrophobicContact CG-CG 4.47Å; E399-K415 PolarHBondContact N-O 3.13Å; E399-K415 PolarHBondContact O-N 3.39Å; E399-K415 WeakPolarHBondContact OE1-CD 3.28Å; E399-K415 WeakPolarHBondContact OE1-CE 3.46Å; E399-K415 IonicContact OE1-NZ 2.77Å; E399-K415 PolarHBondContact OE1-NZ 2.81Å; E399-K417 HydrophobicContact CB-CG 4.48Å |
| 400 | V | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | K347 V359 G363 V365 L395 V414 | K347-V400 WeakPolarHBondContact CE-O 3.44Å; K347-V400 PolarHBondContact NZ-O 2.81Å; V359-V400 HydrophobicContact CG1-CB 4.05Å; V359-V400 HydrophobicContact CG1-CG1 4Å; V359-V400 VanDerWaalsContact CG1-O 3.25Å; V359-V400 WeakPolarHBondContact CG1-O 3.38Å; V359-V400 HydrophobicContact CG2-CG1 3.93Å; G363-V400 PolarHBondContact O-N 3.15Å; V365-V400 HydrophobicContact CB-CB 4.24Å; V365-V400 HydrophobicContact CB-CG1 4.17Å; V365-V400 HydrophobicContact CB-CG2 3.99Å; V365-V400 HydrophobicContact CG1-CG2 3.77Å; L395-V400 HydrophobicContact CD2-CG2 3.88Å; V400-V414 HydrophobicContact CG2-CG1 4.1Å |
| 401 | L | 98.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -42.8 | 178.1 | -55.6 | -173.4 | 0 | 0 | 0 | 110.8 | E37 E399 L413 K415 | E37-L401 HydrophobicContact CB-CD1 3.8Å; E37-L401 WeakPolarHBondContact OE2-CD2 3.19Å; E399-L401 HydrophobicContact CG-CD2 4.01Å; L401-L413 HydrophobicContact CB-CB 4.31Å; L401-L413 HydrophobicContact CB-CD2 4.12Å; L401-L413 HydrophobicContact CB-CG 4.18Å; L401-L413 WeakPolarHBondContact CB-O 3.35Å; L401-L413 HydrophobicContact CD1-CD2 4.1Å; L401-L413 HydrophobicContact CD1-CG 4.15Å; L401-L413 PolarHBondContact N-O 2.84Å; L401-K415 HydrophobicContact CD1-CB 3.94Å; L401-K415 HydrophobicContact CD2-CB 4.24Å; L401-K415 HydrophobicContact CG-CB 4.18Å |
| 402 | Q | 98.4 | Very high | 97.7 | Very high | 36 Ų | 36 | 37 Ų | 37 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.3 | -175.3 | -164 | -166.7 | -12.1 | 0 | 0 | 110.1 | V76 L412 L413 | V76-Q402 VanDerWaalsContact N-OE1 3.11Å; V76-Q402 VanDerWaalsContact O-CD 3.32Å; V76-Q402 PolarHBondContact O-NE2 3.03Å; V76-Q402 PolarHBondContact O-OE1 3.03Å; Q402-L412 CarbonylContact O-C 3.59Å; Q402-L412 WeakPolarHBondContact O-CA 3.42Å; Q402-L413 HydrophobicContact CB-CB 3.93Å; Q402-L413 PolarHBondContact N-O 3.21Å; Q402-L413 PolarHBondContact O-N 2.9Å |
| 403 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 148.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | S350 Y357 V359 V365 L412 | S350-A403 PolarHBondContact OG-O 3.07Å; Y357-A403 HydrophobicContact CG-CB 4.43Å; V359-A403 HydrophobicContact CG2-CB 3.98Å; V365-A403 HydrophobicContact CG2-CB 4.45Å; A403-L412 HydrophobicContact CB-CD2 3.54Å |
| 404 | S | 98.8 | Very high | 98 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 137.6 | 171 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | V77 A78 A411 | V77-S404 WeakPolarHBondContact CA-OG 3.39Å; A78-S404 PolarHBondContact N-OG 2.68Å; S404-A411 PolarHBondContact N-O 2.84Å; S404-A411 PolarHBondContact O-N 3.41Å; S404-A411 VanDerWaalsContact O-O 3.12Å |
| 405 | S | 98.8 | Very high | 98 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.1 | -173.5 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | G352 V355 Y357 Q375 H409 T410 | G352-S405 VanDerWaalsContact CA-CB 3.48Å; G352-S405 VanDerWaalsContact CA-OG 3.27Å; G352-S405 WeakPolarHBondContact CA-OG 3.3Å; V355-S405 WeakPolarHBondContact CG2-OG 3.36Å; Y357-S405 VanDerWaalsContact CE2-CB 3.44Å; Q375-S405 PolarHBondContact NE2-OG 3.42Å; S405-H409 PolarHBondContact OG-O 3.28Å; S405-T410 PolarHBondContact OG-OG1 3.34Å |
| 406 | G | 97.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | trans | -96.9 | -151.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | G79 A353 Q375 H409 | G79-G406 WeakPolarHBondContact O-CA 3.28Å; A353-G406 PolarHBondContact N-O 2.86Å; Q375-G406 PolarHBondContact NE2-O 3.29Å; G406-H409 PolarHBondContact N-O 2.86Å | ||
| 407 | G | 96.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 22% | 0.216 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -66.4 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G80 N373 Q375 | G80-G407 PolarHBondContact O-N 3.12Å; N373-G407 PolarHBondContact ND2-O 2.84Å; Q375-G407 PolarHBondContact OE1-O 2.93Å |
| 408 | Q | 98.3 | Very high | 96.9 | Very high | 60 Ų | 60 | 32.9 Ų | 32.9 | 28% | 0.28 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -134.9 | 3.1 | -172.8 | -56.2 | 177.9 | -33.9 | 0 | 0 | 114.3 | Q46 M81 N373 Q375 | Q46-Q408 HydrophobicContact CB-CB 3.88Å; Q46-Q408 HydrophobicContact CG-CB 4.19Å; Q46-Q408 PolarHBondContact N-O 3.12Å; M81-Q408 HydrophobicContact SD-CG 4.44Å; N373-Q408 HydrophobicContact CB-CB 4.32Å; Q375-Q408 VanDerWaalsContact CD-C 3.43Å; Q375-Q408 WeakPolarHBondContact CG-O 3.46Å |
| 409 | H | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 163.2 | -178.3 | 75.2 | -67.7 | 0 | 0 | 0 | 111 | L44 Q46 Q51 L52 A78 G79 T83 Q375 S405 G406 | L44-H409 CarbonylContact O-C 3.1Å; L44-H409 WeakPolarHBondContact O-CA 3.2Å; Q46-H409 WeakPolarHBondContact O-CB 3.45Å; Q51-H409 HydrophobicContact CG-CB 3.85Å; Q51-H409 PolarHBondContact O-CD2 3.3Å; L52-H409 HydrophobicContact CD2-CB 4.13Å; A78-H409 WeakPolarHBondContact CB-NE2 3.28Å; G79-H409 PolarHBondContact O-CE1 2.96Å; T83-H409 PolarHBondContact OG1-CD2 3.32Å; T83-H409 PolarHBondContact OG1-NE2 3.2Å; Q375-H409 PolarHBondContact NE2-O 2.86Å; Q375-H409 VanDerWaalsContact NE2-O 3.13Å; S405-H409 PolarHBondContact OG-O 3.28Å; G406-H409 PolarHBondContact N-O 2.86Å |
| 410 | T | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.3 | 179.5 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | V43 L44 Y357 S405 L412 | V43-T410 CarbonylContact C-O 3.55Å; V43-T410 WeakPolarHBondContact CA-O 3.34Å; L44-T410 HydrophobicContact CD2-CG2 4.12Å; L44-T410 PolarHBondContact N-O 2.8Å; L44-T410 PolarHBondContact O-N 2.92Å; Y357-T410 HydrophobicContact CE1-CG2 3.97Å; Y357-T410 HydrophobicContact CE2-CG2 4.11Å; Y357-T410 PolarHBondContact OH-OG1 2.97Å; S405-T410 PolarHBondContact OG-OG1 3.34Å; T410-L412 HydrophobicContact CG2-CD2 4.25Å |
| 411 | A | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L42 V43 V76 T83 S404 | L42-A411 CarbonylContact O-C 3.54Å; L42-A411 VanDerWaalsContact O-CA 3.29Å; L42-A411 WeakPolarHBondContact O-CA 3.35Å; V43-A411 HydrophobicContact CG1-CB 4.45Å; V76-A411 HydrophobicContact CG1-CB 4.29Å; V76-A411 HydrophobicContact CG2-CB 3.54Å; T83-A411 HydrophobicContact CG2-CB 4.33Å; S404-A411 PolarHBondContact N-O 2.84Å; S404-A411 PolarHBondContact O-N 3.41Å; S404-A411 VanDerWaalsContact O-O 3.12Å |
| 412 | L | 98.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.6 | 177.6 | -53.4 | 176.4 | 0 | 0 | 0 | 109.3 | V41 L42 L44 P64 M390 L395 Q402 A403 T410 V414 | V41-L412 CarbonylContact C-O 3.51Å; V41-L412 WeakPolarHBondContact CA-O 3.18Å; L42-L412 HydrophobicContact CB-CB 4.23Å; L42-L412 PolarHBondContact N-O 3.05Å; L42-L412 PolarHBondContact O-N 2.92Å; L44-L412 HydrophobicContact CD2-CD1 4.41Å; L44-L412 HydrophobicContact CD2-CG 4.44Å; P64-L412 HydrophobicContact CB-CD1 4.46Å; P64-L412 HydrophobicContact CG-CD1 4.21Å; M390-L412 HydrophobicContact CE-CD1 4.26Å; L395-L412 HydrophobicContact CD2-CD1 4.16Å; Q402-L412 CarbonylContact O-C 3.59Å; Q402-L412 WeakPolarHBondContact O-CA 3.42Å; A403-L412 HydrophobicContact CB-CD2 3.54Å; T410-L412 HydrophobicContact CG2-CD2 4.25Å; L412-V414 HydrophobicContact CB-CG1 4.26Å |
| 413 | L | 98.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.5 | 165.6 | -173.7 | 68.8 | 0 | 0 | 0 | 108.2 | Q40 V41 M73 V74 V76 L401 Q402 | Q40-L413 WeakPolarHBondContact O-CA 3.11Å; V41-L413 HydrophobicContact CG2-CD1 4.26Å; M73-L413 HydrophobicContact CB-CD1 3.84Å; V74-L413 WeakPolarHBondContact O-CD2 3.37Å; V76-L413 HydrophobicContact CG1-CB 3.96Å; L401-L413 HydrophobicContact CB-CB 4.31Å; L401-L413 HydrophobicContact CB-CD2 4.12Å; L401-L413 HydrophobicContact CB-CG 4.18Å; L401-L413 WeakPolarHBondContact CB-O 3.35Å; L401-L413 HydrophobicContact CD1-CD2 4.1Å; L401-L413 HydrophobicContact CD1-CG 4.15Å; L401-L413 PolarHBondContact N-O 2.84Å; Q402-L413 HydrophobicContact CB-CB 3.93Å; Q402-L413 PolarHBondContact N-O 3.21Å; Q402-L413 PolarHBondContact O-N 2.9Å |
| 414 | V | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 155 | -175.5 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | G39 Q40 L42 L395 R398 E399 V400 L412 | G39-V414 CarbonylContact C-O 3.42Å; G39-V414 WeakPolarHBondContact CA-O 3.28Å; Q40-V414 HydrophobicContact CB-CG2 4.33Å; Q40-V414 PolarHBondContact N-O 2.88Å; Q40-V414 PolarHBondContact O-N 3.28Å; L42-V414 HydrophobicContact CD1-CB 4.48Å; L42-V414 HydrophobicContact CD1-CG1 3.7Å; L42-V414 HydrophobicContact CD1-CG2 3.97Å; L42-V414 HydrophobicContact CD2-CG2 4.13Å; L42-V414 HydrophobicContact CG-CG1 4.05Å; L42-V414 HydrophobicContact CG-CG2 3.8Å; L395-V414 HydrophobicContact CD2-CG1 4.07Å; R398-V414 HydrophobicContact CB-CB 4.36Å; E399-V414 CarbonylContact O-C 3.22Å; E399-V414 VanDerWaalsContact O-CA 3.28Å; E399-V414 WeakPolarHBondContact O-CA 3.12Å; V400-V414 HydrophobicContact CG2-CG1 4.1Å; L412-V414 HydrophobicContact CB-CG1 4.26Å |
| 415 | K | 97.1 | Very high | 90.5 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 27% | 0.274 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.5 | 174.9 | 170 | 173.3 | 155.9 | -120.9 | 0 | 109.7 | R398 E399 L401 | R398-K415 CarbonylContact C-O 3.5Å; R398-K415 WeakPolarHBondContact CA-O 3.31Å; R398-K415 WeakPolarHBondContact CB-O 3.25Å; E399-K415 HydrophobicContact CG-CB 4Å; E399-K415 HydrophobicContact CG-CG 4.47Å; E399-K415 PolarHBondContact N-O 3.13Å; E399-K415 PolarHBondContact O-N 3.39Å; E399-K415 WeakPolarHBondContact OE1-CD 3.28Å; E399-K415 WeakPolarHBondContact OE1-CE 3.46Å; E399-K415 IonicContact OE1-NZ 2.77Å; E399-K415 PolarHBondContact OE1-NZ 2.81Å; L401-K415 HydrophobicContact CD1-CB 3.94Å; L401-K415 HydrophobicContact CD2-CB 4.24Å; L401-K415 HydrophobicContact CG-CB 4.18Å |
| 416 | D | 95.8 | Very high | 89.9 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.5 | 175.4 | -59.9 | -40.2 | 0 | 0 | 0 | 109.9 | R398 Q418 | R398-D416 WeakPolarHBondContact CD-OD1 3.29Å; R398-D416 WeakPolarHBondContact CG-OD1 3.41Å; R398-D416 IonicContact CZ-OD1 2.94Å; R398-D416 IonicContact NE-OD1 3.03Å; R398-D416 PolarHBondContact NE-OD1 2.95Å; R398-D416 IonicContact NH2-OD1 3.41Å; D416-Q418 PolarHBondContact O-N 3.49Å |
| 417 | K | 91.5 | Very high | 89.4 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 127.9 | 171 | -69.2 | -177.5 | 175.4 | -177.8 | 0 | 107.6 | N397 R398 E399 E419 | N397-K417 WeakPolarHBondContact O-CB 3.36Å; N397-K417 PolarHBondContact O-N 3.04Å; R398-K417 WeakPolarHBondContact O-CE 3.49Å; E399-K417 HydrophobicContact CB-CG 4.48Å; K417-E419 PolarHBondContact O-N 3.04Å |
| 418 | Q | 78.8 | Confident | 88.8 | Confident | 169 Ų | 169 | 68.1 Ų | 68.1 | 79% | 0.79 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -64 | 128.8 | 170.7 | -69.9 | -175.7 | -12.3 | 0 | 0 | 107.7 | D416 S420 | D416-Q418 PolarHBondContact O-N 3.49Å; Q418-S420 PolarHBondContact O-N 2.66Å |
| 419 | E | 57.1 | Low | 88 | Confident | 198 Ų | 198 | 68.8 Ų | 68.8 | 93% | 0.925 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 119.2 | 170.4 | -69.8 | -177.3 | 162.7 | 0 | 0 | 107.9 | K417 | K417-E419 PolarHBondContact O-N 3.04Š|
| 420 | S | 42.9 | Very low | 87 | Confident | 194 Ų | 194 | 75 Ų | 75 | 100% | 1.357 | 39% | 0.392 | S | S | * | . | trans | -70.4 | 0 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 113 | Q418 | Q418-S420 PolarHBondContact O-N 2.66Š|
Retrieved 420 of 420 residues in 226.5 ms
(Link to these results)