| 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 | 51.5 | Low | 51.4 | Low | 252 Ų | 252 | 181.2 Ų | 181.2 | 100% | 1.241 | 89% | 0.89 | S | S | * | * | 0 | 101.3 | 0 | -123 | 163.6 | 131.1 | 0 | 0 | 107.1 | |||||
| 2 | V | 43 | Very low | 51.8 | Low | 127 Ų | 127 | 177.3 Ų | 177.3 | 77% | 0.77 | 88% | 0.884 | S | S | * | * | trans | -104.3 | 159.6 | -171.6 | -179.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | L | 43.1 | Very low | 52.3 | Low | 151 Ų | 151 | 180.6 Ų | 180.6 | 79% | 0.791 | 88% | 0.883 | S | S | * | * | trans | 83.5 | 108.8 | 170.7 | -68.5 | 100.9 | 0 | 0 | 0 | 116.9 | ||||
| 4 | R | 50.8 | Low | 52.4 | Low | 228 Ų | 228 | 174.9 Ų | 174.9 | 86% | 0.86 | 88% | 0.879 | S | S | * | * | 160.3 | 111.8 | 108.6 | -91.9 | -177.8 | 171.2 | -177.5 | -2.8 | 110.5 | |||||
| 5 | Q | 55.7 | Low | 52.4 | Low | 197 Ų | 197 | 171.4 Ų | 171.4 | 92% | 0.921 | 88% | 0.875 | S | S | * | * | 166.6 | 98.8 | 115.8 | -99.1 | 169 | -29.3 | 0 | 0 | 109.7 | |||||
| 6 | R | 49.3 | Very low | 52.8 | Low | 238 Ų | 238 | 167.3 Ų | 167.3 | 90% | 0.898 | 87% | 0.866 | S | S | * | * | trans | -83.3 | 170 | 151.5 | -74.2 | -179.1 | 170.3 | -179.1 | -3.6 | 107.7 | ||||
| 7 | V | 56 | Low | 53 | Low | 140 Ų | 140 | 169.2 Ų | 169.2 | 85% | 0.848 | 87% | 0.866 | S | S | * | * | trans | 99.3 | 83.2 | 173.7 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 8 | V | 57.7 | Low | 53.2 | Low | 141 Ų | 141 | 168.9 Ų | 168.9 | 86% | 0.855 | 87% | 0.866 | S | S | * | * | -169.4 | 83.8 | 126.5 | -177.7 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 9 | L | 53.3 | Low | 53.6 | Low | 160 Ų | 160 | 166.9 Ų | 166.9 | 84% | 0.838 | 86% | 0.856 | S | S | * | * | trans | -150.5 | 56.3 | -179.3 | -138.8 | 149.2 | 0 | 0 | 0 | 109.8 | ||||
| 10 | L | 50.9 | Low | 53.9 | Low | 170 Ų | 170 | 164.5 Ų | 164.5 | 89% | 0.89 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -165.1 | 55.6 | 176.1 | -130.3 | 111.9 | 0 | 0 | 0 | 114 | ||
| 11 | Q | 54.6 | Low | 54.3 | Low | 189 Ų | 189 | 165.4 Ų | 165.4 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -151 | 7.5 | 165.9 | -95.3 | -146.4 | -23.2 | 0 | 0 | 117.9 | ||
| 12 | V | 56.3 | Low | 54.8 | Low | 134 Ų | 134 | 160.4 Ų | 160.4 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -114.7 | 25.1 | -175.6 | -160 | 0 | 0 | 0 | 0 | 113.8 | ||
| 13 | Y | 57.2 | Low | 55.6 | Low | 221 Ų | 221 | 159.3 Ų | 159.3 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -109.8 | 9.4 | 179.7 | -88.6 | -81.2 | 0 | 0 | 0 | 115.2 | ||
| 14 | A | 54.4 | Low | 56.2 | Low | 101 Ų | 101 | 163 Ų | 163 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -113.5 | 11.8 | -175 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 15 | C | 52.7 | Low | 56.6 | Low | 122 Ų | 122 | 158.1 Ų | 158.1 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -111.4 | 5.8 | 176.3 | -94.1 | 0 | 0 | 0 | 0 | 115 | ||
| 16 | C | 58.4 | Low | 56.9 | Low | 106 Ų | 106 | 155.5 Ų | 155.5 | 72% | 0.716 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 9.9 | -170.6 | -71.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 17 | F | 56.3 | Low | 57.7 | Low | 199 Ų | 199 | 149.3 Ų | 149.3 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 5.6 | -171.5 | -99.2 | -84.8 | 0 | 0 | 0 | 117 | ||
| 18 | L | 56.9 | Low | 58.4 | Low | 164 Ų | 164 | 151.8 Ų | 151.8 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -141 | 40.2 | -175.1 | -76.4 | 172.9 | 0 | 0 | 0 | 116 | ||
| 19 | I | 59.7 | Low | 59.7 | Low | 132 Ų | 132 | 149.7 Ų | 149.7 | 68% | 0.677 | 81% | 0.806 | S | S | * | * | trans | -137.2 | 83.9 | 166.2 | -50.6 | 177.8 | 0 | 0 | 0 | 110.7 | F21 | I19-F21 PolarHBondContact O-N 3.38Š| ||
| 20 | S | 60.6 | Low | 61.6 | Low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 15.9 | 170 | -34.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 21 | F | 61 | Low | 63.6 | Low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | -119.3 | 64.8 | 176.8 | -73.4 | -85.8 | 0 | 0 | 0 | 109.4 | I19 P23 | I19-F21 PolarHBondContact O-N 3.38Å; F21-P23 WeakPolarHBondContact O-CD 3.41Å | ||
| 22 | I | 62.4 | Low | 65.6 | Low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -74 | 109.6 | 157.4 | -57.7 | 176.2 | 0 | 0 | 0 | 104.2 | R24 | I22-R24 PolarHBondContact O-N 2.71Š| ||
| 23 | P | 60.9 | Low | 67.5 | Low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | -54.3 | 121.4 | 170.4 | 23.9 | -30.8 | 0 | 0 | 0 | 105.4 | F21 C25 | F21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-C25 PolarHBondContact O-N 3.4Å | ||
| 24 | R | 55 | Low | 69.4 | Low | 229 Ų | 229 | 127.1 Ų | 127.1 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -46.2 | 116.9 | 162 | -72.2 | 178.8 | -179.9 | 169.8 | 0.1 | 103.6 | I22 D26 | I22-R24 PolarHBondContact O-N 2.71Å; R24-D26 PolarHBondContact O-N 2.78Å | ||
| 25 | C | 59.7 | Low | 71.5 | Confident | 124 Ų | 124 | 127 Ų | 127 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | trans | -63.7 | 81.9 | 167.4 | -73.1 | 0 | 0 | 0 | 0 | 104 | P23 S27 | P23-C25 PolarHBondContact O-N 3.4Å; C25-S27 PolarHBondContact O-N 3.27Å | ||
| 26 | D | 61.1 | Low | 73.6 | Confident | 143 Ų | 143 | 123.7 Ų | 123.7 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | trans | -50.9 | 113.4 | 167.1 | -133.5 | 0.8 | 0 | 0 | 0 | 102.2 | R24 Q28 | R24-D26 PolarHBondContact O-N 2.78Å; D26-Q28 PolarHBondContact O-N 3.06Å | ||
| 27 | S | 65.8 | Low | 75.4 | Confident | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -51.5 | 96.9 | -172.2 | 49.9 | 0 | 0 | 0 | 0 | 106.7 | C25 S29 | C25-S27 PolarHBondContact O-N 3.27Å; S27-S29 VanDerWaalsContact C-N 3.31Å; S27-S29 PolarHBondContact O-N 3.43Å | ||
| 28 | Q | 71.7 | Confident | 77.3 | Confident | 191 Ų | 191 | 117.1 Ų | 117.1 | 89% | 0.893 | 64% | 0.635 | S | S | * | * | trans | -59.8 | 104.9 | -175.3 | -109.8 | 177.8 | -5.1 | 0 | 0 | 104.2 | D26 C30 | D26-Q28 PolarHBondContact O-N 3.06Å; Q28-C30 PolarHBondContact O-N 2.69Å | ||
| 29 | S | 85.3 | Confident | 79.1 | Confident | 98 Ų | 98 | 114 Ų | 114 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 116.7 | -179.2 | 67.2 | 0 | 0 | 0 | 0 | 105.4 | S27 | S27-S29 VanDerWaalsContact C-N 3.31Å; S27-S29 PolarHBondContact O-N 3.43Å |
| 30 | C | 91.8 | Very high | 80.8 | Confident | 26 Ų | 26 | 112.1 Ų | 112.1 | 18% | 0.176 | 62% | 0.615 | C | S | . | * | P | Polyproline II helix | trans | -60 | 149.3 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 108.8 | Q28 E32 C45 | Q28-C30 PolarHBondContact O-N 2.69Å; C30-E32 PolarHBondContact O-N 3.32Å; C30-C45 VanDerWaalsContact CA-SG 3.56Å; C30-C45 HydrophobicContact CB-CB 3.55Å; C30-C45 WeakPolarHBondContact CB-SG 3.32Å; C30-C45 PolarHBondContact O-SG 3.44Å; C30-C45 WeakPolarHBondContact SG-CB 3.44Å; C30-C45 CovalentContact SG-SG 2.02Å; C30-C45 PolarHBondContact SG-SG 3.15Å |
| 31 | Q | 94.9 | Very high | 82.5 | Confident | 155 Ų | 155 | 107.2 Ų | 107.2 | 72% | 0.724 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.2 | 174.8 | -76.8 | -177.3 | -21.7 | 0 | 0 | 109.1 | G33 T34 C45 | Q31-G33 PolarHBondContact O-N 3.18Å; Q31-T34 HydrophobicContact CB-CG2 3.56Å; Q31-T34 WeakPolarHBondContact O-CB 3.32Å; Q31-T34 WeakPolarHBondContact O-CG2 3.37Å; Q31-T34 PolarHBondContact O-N 3.29Å; Q31-T34 PolarHBondContact O-OG1 3.39Å; Q31-C45 WeakPolarHBondContact O-CB 3.48Å |
| 32 | E | 96 | Very high | 84.3 | Confident | 125 Ų | 125 | 98.5 Ų | 98.5 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 130.2 | -177.7 | -170.5 | 63.7 | -160.1 | 0 | 0 | 111.2 | C30 T34 Q46 G47 | C30-E32 PolarHBondContact O-N 3.32Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.86Å; E32-Q46 WeakPolarHBondContact OE1-CA 3.33Å; E32-Q46 WeakPolarHBondContact OE2-CA 3.37Å; E32-G47 PolarHBondContact OE2-N 3.13Å |
| 33 | G | 96.3 | Very high | 85.9 | Confident | 42 Ų | 42 | 93.5 Ų | 93.5 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q31 C45 | Q31-G33 PolarHBondContact O-N 3.18Å; G33-C45 PolarHBondContact N-O 2.89Å |
| 34 | T | 97.1 | Very high | 87.7 | Confident | 51 Ų | 51 | 92.9 Ų | 92.9 | 31% | 0.313 | 50% | 0.497 | S | S | . | . | trans | -62.1 | 140.3 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | Q31 E32 R44 C45 | Q31-T34 HydrophobicContact CB-CG2 3.56Å; Q31-T34 WeakPolarHBondContact O-CB 3.32Å; Q31-T34 WeakPolarHBondContact O-CG2 3.37Å; Q31-T34 PolarHBondContact O-N 3.29Å; Q31-T34 PolarHBondContact O-OG1 3.39Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.86Å; T34-R44 WeakPolarHBondContact O-CA 3.33Å; T34-C45 PolarHBondContact O-N 3.49Å | ||
| 35 | Q | 97.7 | Very high | 89.7 | Confident | 100 Ų | 100 | 82 Ų | 82 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.6 | 176.5 | -64.6 | -176.9 | 21.1 | 0 | 0 | 110.3 | V42 Y43 I53 | Q35-V42 HydrophobicContact CB-CG1 4.34Å; Q35-Y43 CarbonylContact C-O 3.57Å; Q35-Y43 WeakPolarHBondContact CA-O 3.46Å; Q35-I53 HydrophobicContact CG-CD1 4.39Å |
| 36 | T | 96.9 | Very high | 91.4 | Very high | 51 Ų | 51 | 80.2 Ų | 80.2 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.7 | 175.6 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | Y43 | T36-Y43 PolarHBondContact N-O 3.35Å; T36-Y43 PolarHBondContact O-N 3.44Å |
| 37 | V | 96.9 | Very high | 93 | Very high | 80 Ų | 80 | 76.7 Ų | 76.7 | 49% | 0.485 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.2 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | S39 I41 V42 V56 | V37-S39 WeakPolarHBondContact CG1-O 3.39Å; V37-I41 WeakPolarHBondContact CA-O 3.26Å; V37-V42 HydrophobicContact CG2-CG2 4.27Å; V37-V56 HydrophobicContact CG1-CG2 3.82Å |
| 38 | I | 94.9 | Very high | 94.3 | Very high | 87 Ų | 87 | 73.4 Ų | 73.4 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 112.1 | 174.8 | -54.2 | 174.3 | 0 | 0 | 0 | 106.5 | F40 I41 Y43 | I38-F40 PolarHBondContact O-N 3.18Å; I38-I41 PolarHBondContact N-O 3.05Å; I38-I41 PolarHBondContact O-N 3.15Å; I38-Y43 HydrophobicContact CB-CD2 4.22Å; I38-Y43 HydrophobicContact CB-CE2 3.86Å; I38-Y43 HydrophobicContact CD1-CD2 4.14Å; I38-Y43 HydrophobicContact CD1-CE2 4.2Å; I38-Y43 HydrophobicContact CG1-CD2 4.18Å; I38-Y43 HydrophobicContact CG1-CE2 4.26Å |
| 39 | S | 94.8 | Very high | 95.4 | Very high | 100 Ų | 100 | 73.8 Ų | 73.8 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -125.5 | -170.8 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | V37 | V37-S39 WeakPolarHBondContact CG1-O 3.39Š|
| 40 | F | 95.4 | Very high | 95.8 | Very high | 92 Ų | 92 | 73.6 Ų | 73.6 | 40% | 0.404 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 15.7 | 179.1 | 58.6 | -92.4 | 0 | 0 | 0 | 113.5 | I38 C55 V56 | I38-F40 PolarHBondContact O-N 3.18Å; F40-C55 CarbonylContact O-C 3.59Å; F40-C55 WeakPolarHBondContact O-CA 3.04Å; F40-V56 PolarHBondContact O-N 3.06Å |
| 41 | I | 97.5 | Very high | 96 | Very high | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.2 | -175.5 | -55.2 | 176.2 | 0 | 0 | 0 | 110.2 | V37 I38 Y43 P52 L86 | V37-I41 WeakPolarHBondContact CA-O 3.26Å; I38-I41 PolarHBondContact N-O 3.05Å; I38-I41 PolarHBondContact O-N 3.15Å; I41-Y43 HydrophobicContact CB-CD2 4.45Å; I41-Y43 HydrophobicContact CB-CE2 3.69Å; I41-Y43 HydrophobicContact CG2-CD2 4.06Å; I41-Y43 HydrophobicContact CG2-CE1 4.28Å; I41-Y43 HydrophobicContact CG2-CE2 3.51Å; I41-P52 HydrophobicContact CG2-CB 3.65Å; I41-L86 HydrophobicContact CD1-CB 4.35Å; I41-L86 WeakPolarHBondContact CD1-O 3.1Å; I41-L86 HydrophobicContact CG1-CB 4.43Å; I41-L86 HydrophobicContact CG2-CB 4.35Å; I41-L86 HydrophobicContact CG2-CD1 4.31Å |
| 42 | V | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.2 | 170.9 | -168.7 | 0 | 0 | 0 | 0 | 109 | Q35 V37 P52 I53 A54 V56 H62 | Q35-V42 HydrophobicContact CB-CG1 4.34Å; V37-V42 HydrophobicContact CG2-CG2 4.27Å; V42-P52 WeakPolarHBondContact O-CA 2.92Å; V42-I53 HydrophobicContact CB-CG1 4.24Å; V42-I53 HydrophobicContact CG1-CD1 4.12Å; V42-I53 HydrophobicContact CG1-CG1 4.12Å; V42-I53 WeakPolarHBondContact O-CG1 3.27Å; V42-I53 PolarHBondContact O-N 2.8Å; V42-A54 HydrophobicContact CB-CB 3.99Å; V42-A54 HydrophobicContact CG2-CB 3.97Å; V42-A54 PolarHBondContact N-O 3.44Å; V42-A54 PolarHBondContact O-N 3.21Å; V42-V56 HydrophobicContact CG2-CG2 3.51Å; V42-H62 HydrophobicContact CG2-CB 4.42Å |
| 43 | Y | 97.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 63 Ų | 63 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 148.8 | 174.4 | -63.7 | -95.7 | 0 | 0 | 0 | 110.2 | Q35 T36 I38 I41 Q50 V51 P52 | Q35-Y43 CarbonylContact C-O 3.57Å; Q35-Y43 WeakPolarHBondContact CA-O 3.46Å; T36-Y43 PolarHBondContact N-O 3.35Å; T36-Y43 PolarHBondContact O-N 3.44Å; I38-Y43 HydrophobicContact CB-CD2 4.22Å; I38-Y43 HydrophobicContact CB-CE2 3.86Å; I38-Y43 HydrophobicContact CD1-CD2 4.14Å; I38-Y43 HydrophobicContact CD1-CE2 4.2Å; I38-Y43 HydrophobicContact CG1-CD2 4.18Å; I38-Y43 HydrophobicContact CG1-CE2 4.26Å; I41-Y43 HydrophobicContact CB-CD2 4.45Å; I41-Y43 HydrophobicContact CB-CE2 3.69Å; I41-Y43 HydrophobicContact CG2-CD2 4.06Å; I41-Y43 HydrophobicContact CG2-CE1 4.28Å; I41-Y43 HydrophobicContact CG2-CE2 3.51Å; Y43-Q50 HydrophobicContact CD1-CB 3.94Å; Y43-Q50 HydrophobicContact CG-CB 4.31Å; Y43-V51 CarbonylContact C-O 3.58Å; Y43-V51 WeakPolarHBondContact CA-O 3.35Å; Y43-P52 HydrophobicContact CD1-CB 3.9Å; Y43-P52 HydrophobicContact CD1-CG 4.47Å; Y43-P52 HydrophobicContact CE1-CB 3.75Å; Y43-P52 HydrophobicContact CE1-CG 4.18Å |
| 44 | R | 97.6 | Very high | 96.3 | Very high | 90 Ų | 90 | 61.4 Ų | 61.4 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.9 | 168.3 | -179.3 | 178.7 | -67.3 | 159.9 | 1 | 108.9 | T34 Q46 V51 I53 | T34-R44 WeakPolarHBondContact O-CA 3.33Å; R44-Q46 HydrophobicContact CG-CG 4.21Å; R44-Q46 PolarHBondContact O-N 3.35Å; R44-V51 PolarHBondContact N-O 2.81Å; R44-V51 PolarHBondContact O-N 3.02Å; R44-I53 HydrophobicContact CB-CD1 3.85Å; R44-I53 HydrophobicContact CB-CG1 4.14Å; R44-I53 HydrophobicContact CB-CG2 3.8Å |
| 45 | C | 97 | Very high | 96.3 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.2 | 172.5 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | C30 Q31 G33 T34 R49 | C30-C45 VanDerWaalsContact CA-SG 3.56Å; C30-C45 HydrophobicContact CB-CB 3.55Å; C30-C45 WeakPolarHBondContact CB-SG 3.32Å; C30-C45 PolarHBondContact O-SG 3.44Å; C30-C45 WeakPolarHBondContact SG-CB 3.44Å; C30-C45 CovalentContact SG-SG 2.02Å; C30-C45 PolarHBondContact SG-SG 3.15Å; Q31-C45 WeakPolarHBondContact O-CB 3.48Å; G33-C45 PolarHBondContact N-O 2.89Å; T34-C45 PolarHBondContact O-N 3.49Å; C45-R49 WeakPolarHBondContact CA-O 3.33Å |
| 46 | Q | 96.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 117.3 | 175.2 | -64.9 | -174.3 | -28.5 | 0 | 0 | 110.5 | E32 R44 G48 R49 V51 | E32-Q46 WeakPolarHBondContact OE1-CA 3.33Å; E32-Q46 WeakPolarHBondContact OE2-CA 3.37Å; R44-Q46 HydrophobicContact CG-CG 4.21Å; R44-Q46 PolarHBondContact O-N 3.35Å; Q46-G48 VanDerWaalsContact C-N 3.26Å; Q46-G48 PolarHBondContact O-N 2.52Å; Q46-R49 PolarHBondContact N-O 2.89Å; Q46-R49 PolarHBondContact O-N 3.26Å; Q46-R49 VanDerWaalsContact O-N 3.1Å; Q46-V51 HydrophobicContact CB-CG2 4.03Å |
| 47 | G | 94.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 37.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E32 R49 | E32-G47 PolarHBondContact OE2-N 3.13Å; G47-R49 PolarHBondContact O-N 3.08Å |
| 48 | G | 93 | Very high | 96.3 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q46 | Q46-G48 VanDerWaalsContact C-N 3.26Å; Q46-G48 PolarHBondContact O-N 2.52Å |
| 49 | R | 93.3 | Very high | 96.3 | Very high | 198 Ų | 198 | 58.5 Ų | 58.5 | 75% | 0.747 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.5 | 176.5 | -64.7 | -177.5 | 177.5 | 179.2 | -0.4 | 110.8 | C45 Q46 G47 V51 | C45-R49 WeakPolarHBondContact CA-O 3.33Å; Q46-R49 PolarHBondContact N-O 2.89Å; Q46-R49 PolarHBondContact O-N 3.26Å; Q46-R49 VanDerWaalsContact O-N 3.1Å; G47-R49 PolarHBondContact O-N 3.08Å; R49-V51 PolarHBondContact O-N 2.87Å |
| 50 | Q | 94.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 113.5 | 173.2 | -72 | -175.5 | -9 | 0 | 0 | 110.1 | Y43 | Y43-Q50 HydrophobicContact CD1-CB 3.94Å; Y43-Q50 HydrophobicContact CG-CB 4.31Å |
| 51 | V | 95.4 | Very high | 96.5 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.8 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 109 | Y43 R44 Q46 R49 I53 | Y43-V51 CarbonylContact C-O 3.58Å; Y43-V51 WeakPolarHBondContact CA-O 3.35Å; R44-V51 PolarHBondContact N-O 2.81Å; R44-V51 PolarHBondContact O-N 3.02Å; Q46-V51 HydrophobicContact CB-CG2 4.03Å; R49-V51 PolarHBondContact O-N 2.87Å; V51-I53 PolarHBondContact O-N 3.24Å |
| 52 | P | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.1 | 178.7 | 28.2 | -29.4 | 0 | 0 | 0 | 110.6 | I41 V42 Y43 S84 L86 | I41-P52 HydrophobicContact CG2-CB 3.65Å; V42-P52 WeakPolarHBondContact O-CA 2.92Å; Y43-P52 HydrophobicContact CD1-CB 3.9Å; Y43-P52 HydrophobicContact CD1-CG 4.47Å; Y43-P52 HydrophobicContact CE1-CB 3.75Å; Y43-P52 HydrophobicContact CE1-CG 4.18Å; P52-S84 WeakPolarHBondContact CG-O 3.45Å; P52-L86 HydrophobicContact CB-CD1 3.75Å; P52-L86 HydrophobicContact CB-CG 3.86Å; P52-L86 HydrophobicContact CG-CG 4.3Å |
| 53 | I | 97.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.185 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -19.9 | -170.2 | 55.9 | 155.8 | 0 | 0 | 0 | 114.4 | Q35 V42 R44 V51 V65 | Q35-I53 HydrophobicContact CG-CD1 4.39Å; V42-I53 HydrophobicContact CB-CG1 4.24Å; V42-I53 HydrophobicContact CG1-CD1 4.12Å; V42-I53 HydrophobicContact CG1-CG1 4.12Å; V42-I53 WeakPolarHBondContact O-CG1 3.27Å; V42-I53 PolarHBondContact O-N 2.8Å; R44-I53 HydrophobicContact CB-CD1 3.85Å; R44-I53 HydrophobicContact CB-CG1 4.14Å; R44-I53 HydrophobicContact CB-CG2 3.8Å; V51-I53 PolarHBondContact O-N 3.24Å; I53-V65 WeakPolarHBondContact O-CG2 3.21Å; I53-V65 PolarHBondContact O-N 2.84Å |
| 54 | A | 98.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 62.2 Ų | 62.2 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V42 H62 L63 | V42-A54 HydrophobicContact CB-CB 3.99Å; V42-A54 HydrophobicContact CG2-CB 3.97Å; V42-A54 PolarHBondContact N-O 3.44Å; V42-A54 PolarHBondContact O-N 3.21Å; A54-H62 HydrophobicContact CB-CB 4.36Å; A54-L63 CarbonylContact C-O 3.6Å; A54-L63 WeakPolarHBondContact CA-O 3.38Å; A54-L63 WeakPolarHBondContact CB-O 3.45Å |
| 55 | C | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 152.7 | 166 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | F40 H62 L63 C78 L88 | F40-C55 CarbonylContact O-C 3.59Å; F40-C55 WeakPolarHBondContact O-CA 3.04Å; C55-H62 CarbonylContact O-C 3.53Å; C55-L63 PolarHBondContact N-O 2.88Å; C55-L63 PolarHBondContact O-N 2.89Å; C55-C78 HydrophobicContact CB-CB 3.7Å; C55-C78 WeakPolarHBondContact CB-SG 2.95Å; C55-C78 PolarHBondContact N-SG 2.84Å; C55-C78 VanDerWaalsContact SG-CA 3.54Å; C55-C78 WeakPolarHBondContact SG-CB 3.33Å; C55-C78 CovalentContact SG-SG 2.05Å; C55-C78 PolarHBondContact SG-SG 2.82Å; C55-L88 HydrophobicContact CB-CB 4.18Å; C55-L88 HydrophobicContact CB-CD1 4.18Å |
| 56 | V | 97.9 | Very high | 96.6 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.8 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | V37 F40 V42 Q61 | V37-V56 HydrophobicContact CG1-CG2 3.82Å; F40-V56 PolarHBondContact O-N 3.06Å; V42-V56 HydrophobicContact CG2-CG2 3.51Å; V56-Q61 WeakPolarHBondContact CA-O 3.13Å |
| 57 | T | 97.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 167 | 176.2 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | N59 G60 Q61 L63 T69 | T57-N59 PolarHBondContact O-N 3.4Å; T57-N59 PolarHBondContact OG1-N 3.35Å; T57-G60 WeakPolarHBondContact O-CA 3.47Å; T57-G60 PolarHBondContact O-N 3.34Å; T57-Q61 HydrophobicContact CG2-CB 4.3Å; T57-Q61 PolarHBondContact N-O 2.73Å; T57-Q61 WeakPolarHBondContact OG1-CB 3.3Å; T57-Q61 PolarHBondContact OG1-N 3.15Å; T57-L63 HydrophobicContact CG2-CB 4.23Å; T57-T69 HydrophobicContact CG2-CG2 3.76Å |
| 58 | D | 95.2 | Very high | 96.9 | Very high | 134 Ų | 134 | 61.7 Ų | 61.7 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.3 | 178.5 | -43.5 | -20.1 | 0 | 0 | 0 | 113.1 | G60 Q71 | D58-G60 VanDerWaalsContact C-N 3.28Å; D58-Q71 VanDerWaalsContact OD2-CD 3.31Å; D58-Q71 PolarHBondContact OD2-NE2 2.78Å |
| 59 | N | 95.8 | Very high | 97.1 | Very high | 143 Ų | 143 | 61.1 Ų | 61.1 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.6 | 172.6 | -64.7 | -18.9 | 0 | 0 | 0 | 112.9 | T57 Q61 | T57-N59 PolarHBondContact O-N 3.4Å; T57-N59 PolarHBondContact OG1-N 3.35Å; N59-Q61 VanDerWaalsContact C-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.96Å |
| 60 | G | 96.4 | Very high | 97.3 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | trans | 78 | 5.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T57 D58 | T57-G60 WeakPolarHBondContact O-CA 3.47Å; T57-G60 PolarHBondContact O-N 3.34Å; D58-G60 VanDerWaalsContact C-N 3.28Å | ||
| 61 | Q | 97.2 | Very high | 97.4 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 51% | 0.505 | 31% | 0.309 | S | S | . | . | trans | -74 | 135.4 | -179.6 | -173.5 | -176.8 | -2.3 | 0 | 0 | 110.6 | V56 T57 N59 L63 | V56-Q61 WeakPolarHBondContact CA-O 3.13Å; T57-Q61 HydrophobicContact CG2-CB 4.3Å; T57-Q61 PolarHBondContact N-O 2.73Å; T57-Q61 WeakPolarHBondContact OG1-CB 3.3Å; T57-Q61 PolarHBondContact OG1-N 3.15Å; N59-Q61 VanDerWaalsContact C-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.96Å; Q61-L63 PolarHBondContact O-N 2.92Å | ||
| 62 | H | 97.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 108.6 | 173.4 | -61.4 | -177.6 | 0 | 0 | 0 | 109.6 | V42 A54 C55 | V42-H62 HydrophobicContact CG2-CB 4.42Å; A54-H62 HydrophobicContact CB-CB 4.36Å; C55-H62 CarbonylContact O-C 3.53Å |
| 63 | L | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.8 | 176.9 | -167.6 | 64.9 | 0 | 0 | 0 | 109 | A54 C55 T57 Q61 G67 T69 C78 L88 | A54-L63 CarbonylContact C-O 3.6Å; A54-L63 WeakPolarHBondContact CA-O 3.38Å; A54-L63 WeakPolarHBondContact CB-O 3.45Å; C55-L63 PolarHBondContact N-O 2.88Å; C55-L63 PolarHBondContact O-N 2.89Å; T57-L63 HydrophobicContact CG2-CB 4.23Å; Q61-L63 PolarHBondContact O-N 2.92Å; L63-G67 VanDerWaalsContact CD2-O 3.29Å; L63-G67 WeakPolarHBondContact CD2-O 3.14Å; L63-G67 WeakPolarHBondContact CG-O 3.34Å; L63-T69 HydrophobicContact CD1-CG2 4.45Å; L63-T69 HydrophobicContact CD2-CG2 3.83Å; L63-C78 HydrophobicContact CB-CB 4.5Å; L63-C78 HydrophobicContact CD2-CB 4.09Å; L63-C78 HydrophobicContact CG-CB 4.21Å; L63-L88 HydrophobicContact CD2-CD1 3.65Å |
| 64 | P | 98.2 | Very high | 97.3 | Very high | 79 Ų | 79 | 58 Ų | 58 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 160.6 | -179.9 | 26.2 | -34.8 | 0 | 0 | 0 | 111 | D66 G67 C78 | P64-D66 PolarHBondContact O-N 3.24Å; P64-G67 WeakPolarHBondContact O-CA 3.04Å; P64-G67 PolarHBondContact O-N 2.91Å; P64-C78 WeakPolarHBondContact O-CB 3.28Å |
| 65 | V | 97.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 24% | 0.242 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 133.2 | 170.7 | -175 | 0 | 0 | 0 | 0 | 109.3 | I53 G67 L86 | I53-V65 WeakPolarHBondContact O-CG2 3.21Å; I53-V65 PolarHBondContact O-N 2.84Å; V65-G67 PolarHBondContact O-N 2.98Å; V65-L86 HydrophobicContact CG1-CD2 4.39Å; V65-L86 HydrophobicContact CG2-CD1 3.79Å; V65-L86 HydrophobicContact CG2-CD2 3.78Å; V65-L86 HydrophobicContact CG2-CG 4.47Å |
| 66 | D | 97.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 60.4 Ų | 60.4 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -2.5 | -171.7 | -67.8 | -64.2 | 0 | 0 | 0 | 117.1 | P64 K77 C78 | P64-D66 PolarHBondContact O-N 3.24Å; D66-K77 WeakPolarHBondContact O-CE 3.46Å; D66-K77 WeakPolarHBondContact OD1-CE 3.5Å; D66-K77 IonicContact OD1-NZ 2.85Å; D66-K77 PolarHBondContact OD1-NZ 3.24Å; D66-C78 PolarHBondContact N-O 2.88Å |
| 67 | G | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | trans | -61.9 | 146.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 P64 V65 K77 C78 | L63-G67 VanDerWaalsContact CD2-O 3.29Å; L63-G67 WeakPolarHBondContact CD2-O 3.14Å; L63-G67 WeakPolarHBondContact CG-O 3.34Å; P64-G67 WeakPolarHBondContact O-CA 3.04Å; P64-G67 PolarHBondContact O-N 2.91Å; V65-G67 PolarHBondContact O-N 2.98Å; G67-K77 WeakPolarHBondContact O-CA 3.34Å; G67-C78 PolarHBondContact O-N 3.4Å; G67-C78 VanDerWaalsContact O-N 3.12Å | ||
| 68 | V | 98.1 | Very high | 97.3 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.6 | 176 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | E75 M76 K77 | V68-E75 HydrophobicContact CB-CG 4.27Å; V68-M76 CarbonylContact C-O 3.59Å; V68-M76 VanDerWaalsContact CA-O 3.28Å; V68-M76 WeakPolarHBondContact CA-O 2.96Å; V68-K77 HydrophobicContact CG1-CB 4.13Å; V68-K77 HydrophobicContact CG1-CD 4.11Å; V68-K77 HydrophobicContact CG1-CG 3.93Å |
| 69 | T | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 17% | 0.172 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 168.8 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | T57 L63 E75 M76 | T57-T69 HydrophobicContact CG2-CG2 3.76Å; L63-T69 HydrophobicContact CD1-CG2 4.45Å; L63-T69 HydrophobicContact CD2-CG2 3.83Å; T69-E75 CarbonylContact O-C 3.51Å; T69-E75 WeakPolarHBondContact O-CA 3.05Å; T69-M76 HydrophobicContact CG2-CB 3.88Å; T69-M76 PolarHBondContact N-O 3.24Å; T69-M76 PolarHBondContact O-N 2.91Å |
| 70 | T | 97.5 | Very high | 97.5 | Very high | 97 Ų | 97 | 57 Ų | 57 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.5 | -179.5 | 62 | 0 | 0 | 0 | 0 | 111.2 | Y74 L94 | T70-Y74 CarbonylContact C-O 3.49Å; T70-Y74 WeakPolarHBondContact CA-O 3.05Å; T70-L94 HydrophobicContact CG2-CD1 3.52Å |
| 71 | Q | 96.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 131.1 | -176.8 | -178.3 | 156.5 | 37.2 | 0 | 0 | 111.7 | D58 G73 Y74 M76 | D58-Q71 VanDerWaalsContact OD2-CD 3.31Å; D58-Q71 PolarHBondContact OD2-NE2 2.78Å; Q71-G73 PolarHBondContact O-N 3.01Å; Q71-Y74 PolarHBondContact N-O 2.95Å; Q71-Y74 PolarHBondContact O-N 2.93Å; Q71-M76 HydrophobicContact CB-CG 3.86Å |
| 72 | G | 95.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 56 Ų | 56 | 76% | 0.763 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 22.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y74 | G72-Y74 WeakPolarHBondContact O-CD2 3.23Å; G72-Y74 WeakPolarHBondContact O-CE2 3.38Å |
| 73 | G | 96.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 19.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q71 L94 | Q71-G73 PolarHBondContact O-N 3.01Å; G73-L94 WeakPolarHBondContact O-CA 3.35Å; G73-L94 WeakPolarHBondContact O-CB 3.33Å; G73-L94 PolarHBondContact O-N 3.41Å |
| 74 | Y | 97.9 | Very high | 96.2 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 26% | 0.263 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.3 | 175.2 | -56.3 | -81.1 | 0 | 0 | 0 | 111.1 | T70 Q71 G72 P90 A92 L94 L122 | T70-Y74 CarbonylContact C-O 3.49Å; T70-Y74 WeakPolarHBondContact CA-O 3.05Å; Q71-Y74 PolarHBondContact N-O 2.95Å; Q71-Y74 PolarHBondContact O-N 2.93Å; G72-Y74 WeakPolarHBondContact O-CD2 3.23Å; G72-Y74 WeakPolarHBondContact O-CE2 3.38Å; Y74-P90 HydrophobicContact CD1-CB 4.37Å; Y74-P90 HydrophobicContact CG-CB 4.36Å; Y74-A92 CarbonylContact C-O 3.56Å; Y74-A92 WeakPolarHBondContact CA-O 3.49Å; Y74-L94 VanDerWaalsContact C-CD1 3.47Å; Y74-L94 WeakPolarHBondContact O-CD1 3.43Å; Y74-L122 HydrophobicContact CD1-CB 4.35Å; Y74-L122 HydrophobicContact CD1-CD2 4.21Å; Y74-L122 HydrophobicContact CD1-CG 4.43Å; Y74-L122 HydrophobicContact CE1-CB 4.39Å; Y74-L122 VanDerWaalsContact CE1-O 3.24Å; Y74-L122 WeakPolarHBondContact CE1-O 3.2Å |
| 75 | E | 98.1 | Very high | 96 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 118 | 162.9 | -174 | -179.5 | 88.1 | 0 | 0 | 108.1 | V68 T69 P90 V91 A92 L94 R99 | V68-E75 HydrophobicContact CB-CG 4.27Å; T69-E75 CarbonylContact O-C 3.51Å; T69-E75 WeakPolarHBondContact O-CA 3.05Å; E75-P90 CarbonylContact O-C 3.54Å; E75-P90 WeakPolarHBondContact O-CA 3.37Å; E75-V91 HydrophobicContact CB-CG2 4.26Å; E75-V91 HydrophobicContact CG-CG2 4.05Å; E75-V91 WeakPolarHBondContact O-CG2 3.35Å; E75-V91 PolarHBondContact O-N 2.87Å; E75-V91 WeakPolarHBondContact OE1-CG2 3.31Å; E75-A92 HydrophobicContact CB-CB 4.01Å; E75-A92 PolarHBondContact N-O 3.12Å; E75-L94 HydrophobicContact CB-CD1 4.46Å; E75-R99 IonicContact OE1-CZ 2.83Å; E75-R99 IonicContact OE1-NE 3.4Å; E75-R99 PolarHBondContact OE1-NE 2.02Å; E75-R99 IonicContact OE1-NH2 2.91Å; E75-R99 PolarHBondContact OE1-NH2 3.01Å; E75-R99 VanDerWaalsContact OE2-CD 3.28Å; E75-R99 WeakPolarHBondContact OE2-CD 2.99Å; E75-R99 IonicContact OE2-CZ 3.98Å; E75-R99 IonicContact OE2-NE 2.89Å; E75-R99 PolarHBondContact OE2-NE 3.03Å |
| 76 | M | 97.6 | Very high | 96 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135 | 179.4 | -53.6 | -59.7 | -72.8 | 0 | 0 | 109.1 | V68 T69 Q71 L88 R89 P90 | V68-M76 CarbonylContact C-O 3.59Å; V68-M76 VanDerWaalsContact CA-O 3.28Å; V68-M76 WeakPolarHBondContact CA-O 2.96Å; T69-M76 HydrophobicContact CG2-CB 3.88Å; T69-M76 PolarHBondContact N-O 3.24Å; T69-M76 PolarHBondContact O-N 2.91Å; Q71-M76 HydrophobicContact CB-CG 3.86Å; M76-L88 HydrophobicContact CB-CD1 3.95Å; M76-L88 HydrophobicContact CB-CG 4.26Å; M76-L88 HydrophobicContact CE-CD2 4.48Å; M76-L88 HydrophobicContact CE-CG 4.1Å; M76-R89 WeakPolarHBondContact CA-O 3.24Å; M76-P90 HydrophobicContact CE-CB 4.46Å; M76-P90 HydrophobicContact SD-CB 3.78Å |
| 77 | K | 98 | Very high | 95.9 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.5 | 176.7 | -169.8 | 172 | 175.4 | -166.3 | 0 | 110.8 | D66 G67 V68 L79 R89 V91 | D66-K77 WeakPolarHBondContact O-CE 3.46Å; D66-K77 WeakPolarHBondContact OD1-CE 3.5Å; D66-K77 IonicContact OD1-NZ 2.85Å; D66-K77 PolarHBondContact OD1-NZ 3.24Å; G67-K77 WeakPolarHBondContact O-CA 3.34Å; V68-K77 HydrophobicContact CG1-CB 4.13Å; V68-K77 HydrophobicContact CG1-CD 4.11Å; V68-K77 HydrophobicContact CG1-CG 3.93Å; K77-L79 HydrophobicContact CB-CD2 4.49Å; K77-L79 HydrophobicContact CB-CG 4.33Å; K77-L79 HydrophobicContact CD-CD2 3.7Å; K77-L79 HydrophobicContact CD-CG 4.44Å; K77-L79 HydrophobicContact CG-CD2 3.9Å; K77-L79 HydrophobicContact CG-CG 4.18Å; K77-L79 PolarHBondContact O-N 2.77Å; K77-R89 PolarHBondContact N-O 2.89Å; K77-R89 PolarHBondContact O-N 3.49Å; K77-V91 HydrophobicContact CB-CB 4.39Å; K77-V91 HydrophobicContact CB-CG1 3.63Å; K77-V91 HydrophobicContact CB-CG2 3.82Å; K77-V91 HydrophobicContact CD-CG1 4.48Å |
| 78 | C | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 105.3 | 172.2 | -172 | 0 | 0 | 0 | 0 | 109.6 | C55 L63 P64 D66 G67 | C55-C78 HydrophobicContact CB-CB 3.7Å; C55-C78 WeakPolarHBondContact CB-SG 2.95Å; C55-C78 PolarHBondContact N-SG 2.84Å; C55-C78 VanDerWaalsContact SG-CA 3.54Å; C55-C78 WeakPolarHBondContact SG-CB 3.33Å; C55-C78 CovalentContact SG-SG 2.05Å; C55-C78 PolarHBondContact SG-SG 2.82Å; L63-C78 HydrophobicContact CB-CB 4.5Å; L63-C78 HydrophobicContact CD2-CB 4.09Å; L63-C78 HydrophobicContact CG-CB 4.21Å; P64-C78 WeakPolarHBondContact O-CB 3.28Å; D66-C78 PolarHBondContact N-O 2.88Å; G67-C78 PolarHBondContact O-N 3.4Å; G67-C78 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 97.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.5 | -174.4 | -67.3 | 174.4 | 0 | 0 | 0 | 111.3 | K77 L86 S87 R89 V91 | K77-L79 HydrophobicContact CB-CD2 4.49Å; K77-L79 HydrophobicContact CB-CG 4.33Å; K77-L79 HydrophobicContact CD-CD2 3.7Å; K77-L79 HydrophobicContact CD-CG 4.44Å; K77-L79 HydrophobicContact CG-CD2 3.9Å; K77-L79 HydrophobicContact CG-CG 4.18Å; K77-L79 PolarHBondContact O-N 2.77Å; L79-L86 CarbonylContact O-C 3.51Å; L79-L86 WeakPolarHBondContact O-CA 2.99Å; L79-S87 PolarHBondContact N-O 3.49Å; L79-S87 PolarHBondContact O-N 2.91Å; L79-R89 HydrophobicContact CD1-CB 4.26Å; L79-V91 HydrophobicContact CD1-CG1 4.15Å |
| 80 | R | 96.7 | Very high | 95.7 | Very high | 131 Ų | 131 | 55.5 Ų | 55.5 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117 | 169.5 | -171 | 178.3 | -65.7 | -104.1 | -4.5 | 109.4 | L86 | R80-L86 HydrophobicContact CB-CD2 3.93Å; R80-L86 HydrophobicContact CG-CD2 4.22Å |
| 81 | G | 93.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | trans | -80.6 | -168.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G83 N85 | G81-G83 PolarHBondContact O-N 2.94Å; G81-N85 PolarHBondContact N-O 3.19Å | ||
| 82 | A | 91.4 | Very high | 95.8 | Very high | 99 Ų | 99 | 50.7 Ų | 50.7 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -60.5 | 126.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 83 | G | 89.7 | Confident | 96 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 68% | 0.68 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -142.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G81 | G81-G83 PolarHBondContact O-N 2.94Š|
| 84 | S | 88.7 | Confident | 96.1 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 49% | 0.49 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.7 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | P52 L86 | P52-S84 WeakPolarHBondContact CG-O 3.45Å; S84-L86 PolarHBondContact O-N 3.17Å |
| 85 | N | 93.2 | Very high | 96 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | trans | -74.8 | 127.9 | -173.8 | -66.1 | -20.4 | 0 | 0 | 0 | 111.2 | G81 | G81-N85 PolarHBondContact N-O 3.19Š| ||
| 86 | L | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.1 | 169.1 | -63.7 | -175.8 | 0 | 0 | 0 | 110 | I41 P52 V65 L79 R80 S84 | I41-L86 HydrophobicContact CD1-CB 4.35Å; I41-L86 WeakPolarHBondContact CD1-O 3.1Å; I41-L86 HydrophobicContact CG1-CB 4.43Å; I41-L86 HydrophobicContact CG2-CB 4.35Å; I41-L86 HydrophobicContact CG2-CD1 4.31Å; P52-L86 HydrophobicContact CB-CD1 3.75Å; P52-L86 HydrophobicContact CB-CG 3.86Å; P52-L86 HydrophobicContact CG-CG 4.3Å; V65-L86 HydrophobicContact CG1-CD2 4.39Å; V65-L86 HydrophobicContact CG2-CD1 3.79Å; V65-L86 HydrophobicContact CG2-CD2 3.78Å; V65-L86 HydrophobicContact CG2-CG 4.47Å; L79-L86 CarbonylContact O-C 3.51Å; L79-L86 WeakPolarHBondContact O-CA 2.99Å; R80-L86 HydrophobicContact CB-CD2 3.93Å; R80-L86 HydrophobicContact CG-CD2 4.22Å; S84-L86 PolarHBondContact O-N 3.17Å |
| 87 | S | 96 | Very high | 95.8 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 136.8 | 173.3 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | L79 R89 | L79-S87 PolarHBondContact N-O 3.49Å; L79-S87 PolarHBondContact O-N 2.91Å; S87-R89 PolarHBondContact OG-NE 3.09Å |
| 88 | L | 96.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 18% | 0.183 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.8 | 170.8 | -171.9 | 64.9 | 0 | 0 | 0 | 108.1 | C55 L63 M76 | C55-L88 HydrophobicContact CB-CB 4.18Å; C55-L88 HydrophobicContact CB-CD1 4.18Å; L63-L88 HydrophobicContact CD2-CD1 3.65Å; M76-L88 HydrophobicContact CB-CD1 3.95Å; M76-L88 HydrophobicContact CB-CG 4.26Å; M76-L88 HydrophobicContact CE-CD2 4.48Å; M76-L88 HydrophobicContact CE-CG 4.1Å |
| 89 | R | 96.6 | Very high | 95.8 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144 | -175.4 | -62.4 | -174.7 | -179.7 | -145.6 | -11.4 | 111.7 | M76 K77 L79 S87 V91 N120 | M76-R89 WeakPolarHBondContact CA-O 3.24Å; K77-R89 PolarHBondContact N-O 2.89Å; K77-R89 PolarHBondContact O-N 3.49Å; L79-R89 HydrophobicContact CD1-CB 4.26Å; S87-R89 PolarHBondContact OG-NE 3.09Å; R89-V91 PolarHBondContact O-N 3.46Å; R89-N120 PolarHBondContact NH1-OD1 3.11Å; R89-N120 PolarHBondContact NH2-OD1 2.99Å; R89-N120 VanDerWaalsContact NH2-OD1 3.11Å |
| 90 | P | 97.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.9 | 168.5 | 30 | -33.1 | 0 | 0 | 0 | 109.5 | Y74 E75 M76 L122 | Y74-P90 HydrophobicContact CD1-CB 4.37Å; Y74-P90 HydrophobicContact CG-CB 4.36Å; E75-P90 CarbonylContact O-C 3.54Å; E75-P90 WeakPolarHBondContact O-CA 3.37Å; M76-P90 HydrophobicContact CE-CB 4.46Å; M76-P90 HydrophobicContact SD-CB 3.78Å; P90-L122 HydrophobicContact CB-CB 3.78Å; P90-L122 HydrophobicContact CB-CD2 4.16Å; P90-L122 HydrophobicContact CG-CB 3.74Å |
| 91 | V | 97.9 | Very high | 95.9 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -17.9 | -179.8 | -66 | 0 | 0 | 0 | 0 | 113.3 | E75 K77 L79 R89 | E75-V91 HydrophobicContact CB-CG2 4.26Å; E75-V91 HydrophobicContact CG-CG2 4.05Å; E75-V91 WeakPolarHBondContact O-CG2 3.35Å; E75-V91 PolarHBondContact O-N 2.87Å; E75-V91 WeakPolarHBondContact OE1-CG2 3.31Å; K77-V91 HydrophobicContact CB-CB 4.39Å; K77-V91 HydrophobicContact CB-CG1 3.63Å; K77-V91 HydrophobicContact CB-CG2 3.82Å; K77-V91 HydrophobicContact CD-CG1 4.48Å; L79-V91 HydrophobicContact CD1-CG1 4.15Å; R89-V91 PolarHBondContact O-N 3.46Å |
| 92 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 151.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y74 E75 R99 M100 L122 | Y74-A92 CarbonylContact C-O 3.56Å; Y74-A92 WeakPolarHBondContact CA-O 3.49Å; E75-A92 HydrophobicContact CB-CB 4.01Å; E75-A92 PolarHBondContact N-O 3.12Å; A92-R99 HydrophobicContact CB-CG 3.65Å; A92-M100 CarbonylContact C-O 3.52Å; A92-M100 VanDerWaalsContact CA-O 3.25Å; A92-M100 WeakPolarHBondContact CA-O 3.09Å; A92-M100 VanDerWaalsContact CB-O 3.27Å; A92-M100 WeakPolarHBondContact CB-O 3.44Å; A92-L122 VanDerWaalsContact CA-CD2 3.45Å |
| 93 | C | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 148.7 | 168.9 | -54 | 0 | 0 | 0 | 0 | 109.8 | R99 M100 C115 L124 | C93-R99 CarbonylContact O-C 3.49Å; C93-M100 HydrophobicContact CB-CB 4.22Å; C93-M100 PolarHBondContact N-O 2.76Å; C93-M100 PolarHBondContact O-N 2.03Å; C93-C115 HydrophobicContact CB-CB 3.79Å; C93-C115 WeakPolarHBondContact CB-SG 3.32Å; C93-C115 PolarHBondContact N-SG 2.84Å; C93-C115 VanDerWaalsContact N-SG 3.37Å; C93-C115 VanDerWaalsContact SG-CA 3.52Å; C93-C115 WeakPolarHBondContact SG-CB 3.36Å; C93-C115 CovalentContact SG-SG 2.05Å; C93-C115 PolarHBondContact SG-SG 2.95Å; C93-L124 HydrophobicContact CB-CB 4.31Å; C93-L124 HydrophobicContact CB-CD1 3.95Å |
| 94 | L | 98.1 | Very high | 96.8 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.5 | 176.3 | -60.6 | 170.9 | 0 | 0 | 0 | 109.7 | T70 G73 Y74 E75 R98 R99 | T70-L94 HydrophobicContact CG2-CD1 3.52Å; G73-L94 WeakPolarHBondContact O-CA 3.35Å; G73-L94 WeakPolarHBondContact O-CB 3.33Å; G73-L94 PolarHBondContact O-N 3.41Å; Y74-L94 VanDerWaalsContact C-CD1 3.47Å; Y74-L94 WeakPolarHBondContact O-CD1 3.43Å; E75-L94 HydrophobicContact CB-CD1 4.46Å; L94-R98 WeakPolarHBondContact CA-O 3.19Å; L94-R99 HydrophobicContact CD2-CB 4.06Å; L94-R99 HydrophobicContact CD2-CG 4.33Å |
| 95 | K | 97.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 122.1 | 174.6 | -174.2 | 66.7 | 171.7 | -175.1 | 0 | 110.1 | G97 R98 L106 L124 | K95-G97 PolarHBondContact O-N 2.92Å; K95-R98 PolarHBondContact N-O 3.47Å; K95-R98 WeakPolarHBondContact O-CB 3.44Å; K95-R98 PolarHBondContact O-N 3.29Å; K95-L106 HydrophobicContact CB-CD2 3.57Å; K95-L106 HydrophobicContact CG-CD2 3.61Å; K95-L124 HydrophobicContact CB-CD2 3.89Å; K95-L124 HydrophobicContact CD-CD2 3.93Å; K95-L124 HydrophobicContact CG-CD2 4.14Å |
| 96 | N | 95.4 | Very high | 97.5 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42.4 | -177 | -56.3 | -14.8 | 0 | 0 | 0 | 112.5 | R98 | N96-R98 PolarHBondContact O-N 3.26Š|
| 97 | G | 95.4 | Very high | 97.5 | Very high | 81 Ų | 81 | 54 Ų | 54 | 84% | 0.835 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K95 | K95-G97 PolarHBondContact O-N 2.92Š|
| 98 | R | 97.5 | Very high | 97.6 | Very high | 128 Ų | 128 | 54.1 Ų | 54.1 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.8 | 177.1 | -176.3 | 174 | 167 | -179.3 | -0.4 | 111.2 | L94 K95 N96 L106 | L94-R98 WeakPolarHBondContact CA-O 3.19Å; K95-R98 PolarHBondContact N-O 3.47Å; K95-R98 WeakPolarHBondContact O-CB 3.44Å; K95-R98 PolarHBondContact O-N 3.29Å; N96-R98 PolarHBondContact O-N 3.26Å; R98-L106 VanDerWaalsContact NH1-CD1 3.3Å |
| 99 | R | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.1 | 170.6 | -171.6 | -178.9 | -177.9 | -75.9 | -7.6 | 110.9 | E75 A92 C93 L94 N101 | E75-R99 IonicContact OE1-CZ 2.83Å; E75-R99 IonicContact OE1-NE 3.4Å; E75-R99 PolarHBondContact OE1-NE 2.02Å; E75-R99 IonicContact OE1-NH2 2.91Å; E75-R99 PolarHBondContact OE1-NH2 3.01Å; E75-R99 VanDerWaalsContact OE2-CD 3.28Å; E75-R99 WeakPolarHBondContact OE2-CD 2.99Å; E75-R99 IonicContact OE2-CZ 3.98Å; E75-R99 IonicContact OE2-NE 2.89Å; E75-R99 PolarHBondContact OE2-NE 3.03Å; A92-R99 HydrophobicContact CB-CG 3.65Å; C93-R99 CarbonylContact O-C 3.49Å; L94-R99 HydrophobicContact CD2-CB 4.06Å; L94-R99 HydrophobicContact CD2-CG 4.33Å; R99-N101 PolarHBondContact NH1-OD1 2.75Å |
| 100 | M | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.6 | 178.8 | -61.5 | 173.1 | 61.4 | 0 | 0 | 110 | A92 C93 E104 L106 C115 L124 | A92-M100 CarbonylContact C-O 3.52Å; A92-M100 VanDerWaalsContact CA-O 3.25Å; A92-M100 WeakPolarHBondContact CA-O 3.09Å; A92-M100 VanDerWaalsContact CB-O 3.27Å; A92-M100 WeakPolarHBondContact CB-O 3.44Å; C93-M100 HydrophobicContact CB-CB 4.22Å; C93-M100 PolarHBondContact N-O 2.76Å; C93-M100 PolarHBondContact O-N 2.03Å; M100-E104 VanDerWaalsContact CA-OE2 3.25Å; M100-E104 WeakPolarHBondContact CA-OE2 3.37Å; M100-E104 HydrophobicContact CB-CB 4.23Å; M100-E104 WeakPolarHBondContact CE-O 3.21Å; M100-L106 HydrophobicContact CE-CB 3.72Å; M100-L106 HydrophobicContact SD-CB 3.45Å; M100-L106 WeakPolarHBondContact SD-CB 3.38Å; M100-L106 HydrophobicContact SD-CD2 4.07Å; M100-L106 HydrophobicContact SD-CG 4.41Å; M100-C115 HydrophobicContact CB-CB 4.01Å; M100-C115 HydrophobicContact CE-CB 4.14Å; M100-C115 PolarHBondContact O-SG 2.82Å; M100-L124 HydrophobicContact CE-CD1 4.09Å; M100-L124 HydrophobicContact SD-CD1 3.92Å |
| 101 | N | 98.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | trans | -69.4 | 159.8 | 171.1 | -64.1 | -60 | 0 | 0 | 0 | 111.2 | R99 G103 E104 C115 | R99-N101 PolarHBondContact NH1-OD1 2.75Å; N101-G103 PolarHBondContact O-N 2.82Å; N101-E104 HydrophobicContact CB-CG 3.99Å; N101-E104 VanDerWaalsContact N-CD 3.3Å; N101-E104 PolarHBondContact N-OE2 3.13Å; N101-E104 PolarHBondContact ND2-OE1 2.87Å; N101-E104 VanDerWaalsContact O-CB 3.26Å; N101-E104 WeakPolarHBondContact O-CB 3.39Å; N101-E104 PolarHBondContact O-N 2.81Å; N101-C115 WeakPolarHBondContact O-CB 3.32Å | ||
| 102 | P | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 129.2 | 171 | -22.6 | 30.8 | 0 | 0 | 0 | 111.5 | E104 C115 L122 | P102-E104 VanDerWaalsContact C-N 3.34Å; P102-C115 CarbonylContact C-O 3.56Å; P102-C115 WeakPolarHBondContact CA-O 3.26Å; P102-L122 HydrophobicContact CB-CD1 4.13Å; P102-L122 HydrophobicContact CG-CD1 3.76Å |
| 103 | G | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -16.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N101 C115 | N101-G103 PolarHBondContact O-N 2.82Å; G103-C115 PolarHBondContact N-O 3.09Å |
| 104 | E | 98.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -73.8 | 156.8 | 176.9 | -68.5 | -178.1 | -178.4 | 0 | 0 | 112.2 | M100 N101 P102 C115 | M100-E104 VanDerWaalsContact CA-OE2 3.25Å; M100-E104 WeakPolarHBondContact CA-OE2 3.37Å; M100-E104 HydrophobicContact CB-CB 4.23Å; M100-E104 WeakPolarHBondContact CE-O 3.21Å; N101-E104 HydrophobicContact CB-CG 3.99Å; N101-E104 VanDerWaalsContact N-CD 3.3Å; N101-E104 PolarHBondContact N-OE2 3.13Å; N101-E104 PolarHBondContact ND2-OE1 2.87Å; N101-E104 VanDerWaalsContact O-CB 3.26Å; N101-E104 WeakPolarHBondContact O-CB 3.39Å; N101-E104 PolarHBondContact O-N 2.81Å; P102-E104 VanDerWaalsContact C-N 3.34Å; E104-C115 PolarHBondContact O-N 2.84Å | ||
| 105 | T | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.8 | -174.3 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | W112 Y113 T114 R136 | T105-W112 HydrophobicContact CG2-CE3 4.19Å; T105-W112 HydrophobicContact CG2-CZ3 4Å; T105-Y113 CarbonylContact C-O 3.56Å; T105-Y113 WeakPolarHBondContact CA-O 3.34Å; T105-Y113 WeakPolarHBondContact CB-O 3.42Å; T105-T114 HydrophobicContact CG2-CG2 4.13Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.43Å; T105-R136 VanDerWaalsContact CB-NH2 3.35Å; T105-R136 PolarHBondContact OG1-NH1 2.62Å; T105-R136 PolarHBondContact OG1-NH2 2.77Å |
| 106 | L | 98 | Very high | 97.6 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.8 | 178.4 | 174.1 | 60.1 | 0 | 0 | 0 | 110.4 | K95 R98 M100 T108 W112 Y113 | K95-L106 HydrophobicContact CB-CD2 3.57Å; K95-L106 HydrophobicContact CG-CD2 3.61Å; R98-L106 VanDerWaalsContact NH1-CD1 3.3Å; M100-L106 HydrophobicContact CE-CB 3.72Å; M100-L106 HydrophobicContact SD-CB 3.45Å; M100-L106 WeakPolarHBondContact SD-CB 3.38Å; M100-L106 HydrophobicContact SD-CD2 4.07Å; M100-L106 HydrophobicContact SD-CG 4.41Å; L106-T108 HydrophobicContact CG-CG2 4.5Å; L106-W112 CarbonylContact O-C 3.57Å; L106-W112 VanDerWaalsContact O-CA 3.24Å; L106-W112 WeakPolarHBondContact O-CA 3.11Å; L106-Y113 PolarHBondContact N-O 2.91Å; L106-Y113 PolarHBondContact O-N 2.67Å |
| 107 | T | 97.9 | Very high | 97.6 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 34% | 0.337 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130 | 174.8 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | V130 R136 | T107-V130 HydrophobicContact CG2-CG1 4.02Å; T107-V130 HydrophobicContact CG2-CG2 3.65Å; T107-R136 PolarHBondContact OG1-NE 2.83Å; T107-R136 PolarHBondContact OG1-NH2 3.26Å |
| 108 | T | 96.9 | Very high | 97.6 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | trans | -114.8 | 173.2 | 169.9 | 69.7 | 0 | 0 | 0 | 0 | 109.5 | L106 N110 F111 Y113 V130 | L106-T108 HydrophobicContact CG-CG2 4.5Å; T108-N110 PolarHBondContact O-N 3.18Å; T108-F111 WeakPolarHBondContact CA-O 3.01Å; T108-F111 WeakPolarHBondContact CB-O 3.08Å; T108-F111 PolarHBondContact N-O 2.83Å; T108-F111 PolarHBondContact OG1-N 3.22Å; T108-F111 PolarHBondContact OG1-O 2.9Å; T108-Y113 HydrophobicContact CG2-CD2 4.05Å; T108-Y113 HydrophobicContact CG2-CE2 3.57Å; T108-V130 WeakPolarHBondContact O-CG2 3.19Å | ||
| 109 | P | 96.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -58.5 | -21.2 | -177.8 | -28.8 | 36.9 | 0 | 0 | 0 | 116.2 | ||
| 110 | N | 96.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -122 | -27.7 | -176.9 | -63.1 | -56.3 | 0 | 0 | 0 | 113.9 | T108 C129 V130 K145 | T108-N110 PolarHBondContact O-N 3.18Å; N110-C129 CarbonylContact O-C 3.49Å; N110-C129 WeakPolarHBondContact O-CA 3.38Å; N110-V130 PolarHBondContact O-N 2.9Å; N110-K145 PolarHBondContact OD1-NZ 3.01Å; N110-K145 VanDerWaalsContact OD1-NZ 3.12Å |
| 111 | F | 97.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.2 | -173.5 | -55.7 | -71.6 | 0 | 0 | 0 | 111.3 | T108 Y113 V126 G128 V130 V159 | T108-F111 WeakPolarHBondContact CA-O 3.01Å; T108-F111 WeakPolarHBondContact CB-O 3.08Å; T108-F111 PolarHBondContact N-O 2.83Å; T108-F111 PolarHBondContact OG1-N 3.22Å; T108-F111 PolarHBondContact OG1-O 2.9Å; F111-Y113 HydrophobicContact CB-CE2 4.21Å; F111-V126 HydrophobicContact CB-CG1 3.84Å; F111-V126 HydrophobicContact CD1-CG1 4.07Å; F111-V126 HydrophobicContact CG-CG1 4.13Å; F111-G128 WeakPolarHBondContact CA-O 3.16Å; F111-V130 VanDerWaalsContact C-CG2 3.42Å; F111-V159 HydrophobicContact CD1-CG1 4.33Å; F111-V159 HydrophobicContact CE1-CG1 4.41Å; F111-V159 WeakPolarHBondContact CE1-O 3.24Å |
| 112 | W | 98.1 | Very high | 96.7 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.2 | 167.8 | 66.5 | -82 | 0 | 0 | 0 | 110.3 | T105 L106 T114 S127 G128 C129 V130 R136 V137 | T105-W112 HydrophobicContact CG2-CE3 4.19Å; T105-W112 HydrophobicContact CG2-CZ3 4Å; L106-W112 CarbonylContact O-C 3.57Å; L106-W112 VanDerWaalsContact O-CA 3.24Å; L106-W112 WeakPolarHBondContact O-CA 3.11Å; W112-T114 VanDerWaalsContact CZ3-OG1 3.26Å; W112-T114 WeakPolarHBondContact CZ3-OG1 3.37Å; W112-S127 VanDerWaalsContact CE3-CB 3.49Å; W112-S127 VanDerWaalsContact CZ2-CB 3.45Å; W112-S127 WeakPolarHBondContact CZ2-O 3.18Å; W112-S127 PolarHBondContact O-N 3.14Å; W112-G128 VanDerWaalsContact CD1-C 3.44Å; W112-G128 PolarHBondContact N-O 2.89Å; W112-G128 VanDerWaalsContact N-O 3.08Å; W112-G128 VanDerWaalsContact NE1-CA 3.28Å; W112-G128 PolarHBondContact O-N 2.8Å; W112-C129 VanDerWaalsContact CD1-O 3.26Å; W112-V130 HydrophobicContact CB-CG2 4.12Å; W112-R136 HydrophobicContact CB-CG 4.18Å; W112-R136 HydrophobicContact CD2-CB 4.38Å; W112-R136 HydrophobicContact CD2-CG 4.12Å; W112-R136 HydrophobicContact CG-CB 4.21Å; W112-R136 HydrophobicContact CG-CG 3.79Å; W112-V137 PolarHBondContact NE1-O 3.3Å |
| 113 | Y | 97.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 13% | 0.129 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.9 | -172.9 | -57.8 | -98.6 | 0 | 0 | 0 | 109.8 | T105 L106 T108 F111 L124 E125 V126 | T105-Y113 CarbonylContact C-O 3.56Å; T105-Y113 WeakPolarHBondContact CA-O 3.34Å; T105-Y113 WeakPolarHBondContact CB-O 3.42Å; L106-Y113 PolarHBondContact N-O 2.91Å; L106-Y113 PolarHBondContact O-N 2.67Å; T108-Y113 HydrophobicContact CG2-CD2 4.05Å; T108-Y113 HydrophobicContact CG2-CE2 3.57Å; F111-Y113 HydrophobicContact CB-CE2 4.21Å; Y113-L124 HydrophobicContact CD1-CD2 4.32Å; Y113-L124 HydrophobicContact CD1-CG 4.19Å; Y113-E125 CarbonylContact C-O 3.55Å; Y113-E125 WeakPolarHBondContact CA-O 3.39Å; Y113-V126 HydrophobicContact CD1-CG2 3.95Å; Y113-V126 HydrophobicContact CE1-CG2 3.58Å |
| 114 | T | 97.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.6 | 169.7 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | T105 W112 I116 E125 S127 | T105-T114 HydrophobicContact CG2-CG2 4.13Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.43Å; W112-T114 VanDerWaalsContact CZ3-OG1 3.26Å; W112-T114 WeakPolarHBondContact CZ3-OG1 3.37Å; T114-I116 HydrophobicContact CG2-CG1 4.06Å; T114-I116 PolarHBondContact O-N 2.87Å; T114-E125 PolarHBondContact N-O 2.84Å; T114-E125 PolarHBondContact O-N 3.31Å; T114-S127 WeakPolarHBondContact CB-OG 3.43Å; T114-S127 PolarHBondContact N-OG 3.2Å; T114-S127 PolarHBondContact OG1-OG 3.3Å |
| 115 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 104.4 | 170.6 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | C93 M100 N101 P102 G103 E104 L122 S123 | C93-C115 HydrophobicContact CB-CB 3.79Å; C93-C115 WeakPolarHBondContact CB-SG 3.32Å; C93-C115 PolarHBondContact N-SG 2.84Å; C93-C115 VanDerWaalsContact N-SG 3.37Å; C93-C115 VanDerWaalsContact SG-CA 3.52Å; C93-C115 WeakPolarHBondContact SG-CB 3.36Å; C93-C115 CovalentContact SG-SG 2.05Å; C93-C115 PolarHBondContact SG-SG 2.95Å; M100-C115 HydrophobicContact CB-CB 4.01Å; M100-C115 HydrophobicContact CE-CB 4.14Å; M100-C115 PolarHBondContact O-SG 2.82Å; N101-C115 WeakPolarHBondContact O-CB 3.32Å; P102-C115 CarbonylContact C-O 3.56Å; P102-C115 WeakPolarHBondContact CA-O 3.26Å; G103-C115 PolarHBondContact N-O 3.09Å; E104-C115 PolarHBondContact O-N 2.84Å; C115-L122 VanDerWaalsContact SG-CD1 3.53Å; C115-L122 VanDerWaalsContact SG-CG 3.59Å; C115-S123 CarbonylContact C-O 3.59Å |
| 116 | I | 97.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 36% | 0.359 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118 | -174.7 | -56.1 | -175.9 | 0 | 0 | 0 | 109.1 | T114 L122 S123 E125 | T114-I116 HydrophobicContact CG2-CG1 4.06Å; T114-I116 PolarHBondContact O-N 2.87Å; I116-L122 WeakPolarHBondContact O-CA 3.18Å; I116-S123 PolarHBondContact N-O 2.9Å; I116-S123 PolarHBondContact O-N 3.13Å; I116-E125 HydrophobicContact CD1-CB 3.95Å; I116-E125 VanDerWaalsContact CD1-CD 3.45Å; I116-E125 HydrophobicContact CD1-CG 3.91Å; I116-E125 WeakPolarHBondContact CD1-OE2 3.3Å |
| 117 | G | 96.8 | Very high | 96.4 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 118 | G | 95 | Very high | 96.4 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | trans | -105.8 | -176.5 | 164 | 0 | 0 | 0 | 0 | 0 | 111.3 | N120 S121 | G118-N120 VanDerWaalsContact C-N 3.3Å; G118-N120 PolarHBondContact O-N 2.87Å; G118-S121 PolarHBondContact N-O 3.29Å | ||
| 119 | A | 91.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 48 Ų | 48 | 79% | 0.785 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -59.3 | -38 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 120 | N | 89.1 | Confident | 96.5 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -140.2 | 14.5 | 179.1 | -61.4 | -51.1 | 0 | 0 | 0 | 112.4 | R89 G118 | R89-N120 PolarHBondContact NH1-OD1 3.11Å; R89-N120 PolarHBondContact NH2-OD1 2.99Å; R89-N120 VanDerWaalsContact NH2-OD1 3.11Å; G118-N120 VanDerWaalsContact C-N 3.3Å; G118-N120 PolarHBondContact O-N 2.87Å |
| 121 | S | 94.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | trans | -134.2 | 155.6 | -176.5 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | G118 | G118-S121 PolarHBondContact N-O 3.29Š| ||
| 122 | L | 97.2 | Very high | 96.5 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.9 | 174.1 | -165.1 | 65.9 | 0 | 0 | 0 | 106.6 | Y74 P90 A92 P102 C115 I116 | Y74-L122 HydrophobicContact CD1-CB 4.35Å; Y74-L122 HydrophobicContact CD1-CD2 4.21Å; Y74-L122 HydrophobicContact CD1-CG 4.43Å; Y74-L122 HydrophobicContact CE1-CB 4.39Å; Y74-L122 VanDerWaalsContact CE1-O 3.24Å; Y74-L122 WeakPolarHBondContact CE1-O 3.2Å; P90-L122 HydrophobicContact CB-CB 3.78Å; P90-L122 HydrophobicContact CB-CD2 4.16Å; P90-L122 HydrophobicContact CG-CB 3.74Å; A92-L122 VanDerWaalsContact CA-CD2 3.45Å; P102-L122 HydrophobicContact CB-CD1 4.13Å; P102-L122 HydrophobicContact CG-CD1 3.76Å; C115-L122 VanDerWaalsContact SG-CD1 3.53Å; C115-L122 VanDerWaalsContact SG-CG 3.59Å; I116-L122 WeakPolarHBondContact O-CA 3.18Å |
| 123 | S | 96.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 48 Ų | 48 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.7 | 176.2 | 77.5 | 0 | 0 | 0 | 0 | 110.5 | C115 I116 E125 | C115-S123 CarbonylContact C-O 3.59Å; I116-S123 PolarHBondContact N-O 2.9Å; I116-S123 PolarHBondContact O-N 3.13Å; S123-E125 PolarHBondContact OG-OE1 2.96Å |
| 124 | L | 96.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 104.5 | 169.1 | -174.9 | 70.3 | 0 | 0 | 0 | 108.8 | C93 K95 M100 Y113 | C93-L124 HydrophobicContact CB-CB 4.31Å; C93-L124 HydrophobicContact CB-CD1 3.95Å; K95-L124 HydrophobicContact CB-CD2 3.89Å; K95-L124 HydrophobicContact CD-CD2 3.93Å; K95-L124 HydrophobicContact CG-CD2 4.14Å; M100-L124 HydrophobicContact CE-CD1 4.09Å; M100-L124 HydrophobicContact SD-CD1 3.92Å; Y113-L124 HydrophobicContact CD1-CD2 4.32Å; Y113-L124 HydrophobicContact CD1-CG 4.19Å |
| 125 | E | 96.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.4 | -178.3 | -69.7 | -169.3 | -161.8 | 0 | 0 | 112.1 | Y113 T114 I116 S123 S127 | Y113-E125 CarbonylContact C-O 3.55Å; Y113-E125 WeakPolarHBondContact CA-O 3.39Å; T114-E125 PolarHBondContact N-O 2.84Å; T114-E125 PolarHBondContact O-N 3.31Å; I116-E125 HydrophobicContact CD1-CB 3.95Å; I116-E125 VanDerWaalsContact CD1-CD 3.45Å; I116-E125 HydrophobicContact CD1-CG 3.91Å; I116-E125 WeakPolarHBondContact CD1-OE2 3.3Å; S123-E125 PolarHBondContact OG-OE1 2.96Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 PolarHBondContact O-OG 2.85Å |
| 126 | V | 97.2 | Very high | 96.3 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 114.2 | 166.9 | -169.4 | 0 | 0 | 0 | 0 | 107.8 | F111 Y113 V159 | F111-V126 HydrophobicContact CB-CG1 3.84Å; F111-V126 HydrophobicContact CD1-CG1 4.07Å; F111-V126 HydrophobicContact CG-CG1 4.13Å; Y113-V126 HydrophobicContact CD1-CG2 3.95Å; Y113-V126 HydrophobicContact CE1-CG2 3.58Å; V126-V159 HydrophobicContact CB-CB 3.99Å; V126-V159 HydrophobicContact CB-CG2 3.91Å; V126-V159 HydrophobicContact CG1-CB 3.61Å; V126-V159 HydrophobicContact CG1-CG1 4.08Å; V126-V159 HydrophobicContact CG1-CG2 3.95Å; V126-V159 WeakPolarHBondContact O-CG2 3.34Å |
| 127 | S | 97.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -17.3 | -174.3 | -53.6 | 0 | 0 | 0 | 0 | 113.1 | W112 T114 E125 | W112-S127 VanDerWaalsContact CE3-CB 3.49Å; W112-S127 VanDerWaalsContact CZ2-CB 3.45Å; W112-S127 WeakPolarHBondContact CZ2-O 3.18Å; W112-S127 PolarHBondContact O-N 3.14Å; T114-S127 WeakPolarHBondContact CB-OG 3.43Å; T114-S127 PolarHBondContact N-OG 3.2Å; T114-S127 PolarHBondContact OG1-OG 3.3Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 PolarHBondContact O-OG 2.85Å |
| 128 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -166.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F111 W112 V137 | F111-G128 WeakPolarHBondContact CA-O 3.16Å; W112-G128 VanDerWaalsContact CD1-C 3.44Å; W112-G128 PolarHBondContact N-O 2.89Å; W112-G128 VanDerWaalsContact N-O 3.08Å; W112-G128 VanDerWaalsContact NE1-CA 3.28Å; W112-G128 PolarHBondContact O-N 2.8Å; G128-V137 WeakPolarHBondContact CA-O 2.97Å |
| 129 | C | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 165.7 | -175.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | N110 W112 V137 F143 C152 | N110-C129 CarbonylContact O-C 3.49Å; N110-C129 WeakPolarHBondContact O-CA 3.38Å; W112-C129 VanDerWaalsContact CD1-O 3.26Å; C129-V137 HydrophobicContact CB-CB 4.3Å; C129-V137 PolarHBondContact N-O 3.38Å; C129-V137 PolarHBondContact O-N 2.81Å; C129-F143 HydrophobicContact CB-CD1 4.48Å; C129-F143 HydrophobicContact CB-CE1 3.68Å; C129-F143 HydrophobicContact CB-CZ 3.84Å; C129-C152 HydrophobicContact CB-CB 3.76Å; C129-C152 WeakPolarHBondContact CB-SG 3.36Å; C129-C152 PolarHBondContact N-SG 2.95Å; C129-C152 WeakPolarHBondContact SG-CA 3.32Å; C129-C152 WeakPolarHBondContact SG-CB 3.4Å; C129-C152 CovalentContact SG-SG 2.05Å; C129-C152 PolarHBondContact SG-SG 3.09Å |
| 130 | V | 97.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.7 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | T107 T108 N110 F111 W112 N135 | T107-V130 HydrophobicContact CG2-CG1 4.02Å; T107-V130 HydrophobicContact CG2-CG2 3.65Å; T108-V130 WeakPolarHBondContact O-CG2 3.19Å; N110-V130 PolarHBondContact O-N 2.9Å; F111-V130 VanDerWaalsContact C-CG2 3.42Å; W112-V130 HydrophobicContact CB-CG2 4.12Å; V130-N135 WeakPolarHBondContact CA-O 3.02Å |
| 131 | D | 97.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | trans | -78.7 | 178.9 | 178.4 | 79.2 | 4.5 | 0 | 0 | 0 | 112.3 | N133 G134 N135 V137 F143 | D131-N133 PolarHBondContact O-N 3.42Å; D131-N133 VanDerWaalsContact O-N 3.15Å; D131-N133 WeakPolarHBondContact OD1-CA 3.42Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 2.88Å; D131-G134 PolarHBondContact O-N 2.97Å; D131-G134 VanDerWaalsContact O-N 3.13Å; D131-G134 PolarHBondContact OD1-N 2.84Å; D131-N135 PolarHBondContact N-O 3.28Å; D131-N135 PolarHBondContact OD1-N 3.36Å; D131-N135 PolarHBondContact OD1-ND2 3.41Å; D131-N135 WeakPolarHBondContact OD2-CB 3.43Å; D131-N135 PolarHBondContact OD2-ND2 3.19Å; D131-V137 HydrophobicContact CB-CG2 4.16Å; D131-F143 HydrophobicContact CB-CB 4.15Å; D131-F143 HydrophobicContact CB-CD2 3.89Å; D131-F143 HydrophobicContact CB-CG 4.39Å | ||
| 132 | K | 95.2 | Very high | 97.5 | Very high | 129 Ų | 129 | 50.8 Ų | 50.8 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.8 | 179.5 | 69 | 177.9 | -175.9 | -180 | 0 | 114.4 | ||
| 133 | N | 96.5 | Very high | 97.5 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -2 | -178.1 | -60.6 | -31.8 | 0 | 0 | 0 | 111.8 | D131 | D131-N133 PolarHBondContact O-N 3.42Å; D131-N133 VanDerWaalsContact O-N 3.15Å; D131-N133 WeakPolarHBondContact OD1-CA 3.42Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 2.88Å |
| 134 | G | 96.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 87.4 | 6.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D131 | D131-G134 PolarHBondContact O-N 2.97Å; D131-G134 VanDerWaalsContact O-N 3.13Å; D131-G134 PolarHBondContact OD1-N 2.84Å |
| 135 | N | 97.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | trans | -74.1 | 144.1 | 178.7 | -55.6 | -51.3 | 0 | 0 | 0 | 110.9 | V130 D131 | V130-N135 WeakPolarHBondContact CA-O 3.02Å; D131-N135 PolarHBondContact N-O 3.28Å; D131-N135 PolarHBondContact OD1-N 3.36Å; D131-N135 PolarHBondContact OD1-ND2 3.41Å; D131-N135 WeakPolarHBondContact OD2-CB 3.43Å; D131-N135 PolarHBondContact OD2-ND2 3.19Å | ||
| 136 | R | 98.1 | Very high | 97.3 | Very high | 113 Ų | 113 | 52.7 Ų | 52.7 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.1 | 176.4 | -64.9 | -179.7 | -179.3 | 176.3 | 0.2 | 110.3 | T105 T107 W112 | T105-R136 VanDerWaalsContact CB-NH2 3.35Å; T105-R136 PolarHBondContact OG1-NH1 2.62Å; T105-R136 PolarHBondContact OG1-NH2 2.77Å; T107-R136 PolarHBondContact OG1-NE 2.83Å; T107-R136 PolarHBondContact OG1-NH2 3.26Å; W112-R136 HydrophobicContact CB-CG 4.18Å; W112-R136 HydrophobicContact CD2-CB 4.38Å; W112-R136 HydrophobicContact CD2-CG 4.12Å; W112-R136 HydrophobicContact CG-CB 4.21Å; W112-R136 HydrophobicContact CG-CG 3.79Å |
| 137 | V | 98.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.4 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | W112 G128 C129 D131 F143 C152 | W112-V137 PolarHBondContact NE1-O 3.3Å; G128-V137 WeakPolarHBondContact CA-O 2.97Å; C129-V137 HydrophobicContact CB-CB 4.3Å; C129-V137 PolarHBondContact N-O 3.38Å; C129-V137 PolarHBondContact O-N 2.81Å; D131-V137 HydrophobicContact CB-CG2 4.16Å; V137-F143 HydrophobicContact CB-CD1 4.27Å; V137-F143 HydrophobicContact CG1-CB 4.17Å; V137-F143 HydrophobicContact CG1-CD1 3.81Å; V137-F143 HydrophobicContact CG1-CG 4.29Å; V137-F143 HydrophobicContact CG2-CB 3.74Å; V137-F143 HydrophobicContact CG2-CD1 4.19Å; V137-F143 HydrophobicContact CG2-CG 3.94Å; V137-C152 HydrophobicContact CG1-CB 4.41Å |
| 138 | S | 98.1 | Very high | 97.2 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 150.6 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | G140 S141 | S138-G140 PolarHBondContact O-N 2.59Å; S138-S141 WeakPolarHBondContact O-CB 3.39Å; S138-S141 PolarHBondContact O-N 2.88Å; S138-S141 VanDerWaalsContact O-N 3.1Å |
| 139 | V | 98.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 55 Ų | 55 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 134.1 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | K154 V159 | V139-K154 HydrophobicContact CG1-CB 3.57Å; V139-K154 HydrophobicContact CG2-CB 4.3Å; V139-V159 HydrophobicContact CG2-CG1 4.34Å; V139-V159 HydrophobicContact CG2-CG2 4.25Å |
| 140 | G | 98.1 | Very high | 97.2 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -24 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S138 C152 | S138-G140 PolarHBondContact O-N 2.59Å; G140-C152 WeakPolarHBondContact CA-O 3.48Å; G140-C152 PolarHBondContact N-O 3.34Å |
| 141 | S | 98.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | trans | -80.5 | 155.6 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | S138 C152 | S138-S141 WeakPolarHBondContact O-CB 3.39Å; S138-S141 PolarHBondContact O-N 2.88Å; S138-S141 VanDerWaalsContact O-N 3.1Å; S141-C152 PolarHBondContact O-N 3.35Å | ||
| 142 | T | 98.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 153.6 | 173.6 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | F150 R151 Y164 | T142-F150 CarbonylContact C-O 3.56Å; T142-F150 WeakPolarHBondContact CA-O 3.42Å; T142-F150 WeakPolarHBondContact CB-O 3.4Å; T142-R151 HydrophobicContact CG2-CB 4.1Å; T142-R151 HydrophobicContact CG2-CG 4.27Å; T142-Y164 HydrophobicContact CG2-CD1 4.1Å; T142-Y164 HydrophobicContact CG2-CE1 4.41Å; T142-Y164 HydrophobicContact CG2-CG 4.41Å |
| 143 | F | 98 | Very high | 97.4 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 153.5 | 179.5 | 65.5 | -80 | 0 | 0 | 0 | 111.1 | C129 D131 V137 F150 C152 | C129-F143 HydrophobicContact CB-CD1 4.48Å; C129-F143 HydrophobicContact CB-CE1 3.68Å; C129-F143 HydrophobicContact CB-CZ 3.84Å; D131-F143 HydrophobicContact CB-CB 4.15Å; D131-F143 HydrophobicContact CB-CD2 3.89Å; D131-F143 HydrophobicContact CB-CG 4.39Å; V137-F143 HydrophobicContact CB-CD1 4.27Å; V137-F143 HydrophobicContact CG1-CB 4.17Å; V137-F143 HydrophobicContact CG1-CD1 3.81Å; V137-F143 HydrophobicContact CG1-CG 4.29Å; V137-F143 HydrophobicContact CG2-CB 3.74Å; V137-F143 HydrophobicContact CG2-CD1 4.19Å; V137-F143 HydrophobicContact CG2-CG 3.94Å; F143-F150 HydrophobicContact CD1-CB 4.26Å; F143-F150 HydrophobicContact CE1-CB 3.81Å; F143-F150 HydrophobicContact CE2-CB 4.17Å; F143-F150 HydrophobicContact CZ-CB 3.77Å; F143-F150 PolarHBondContact N-O 2.76Å; F143-F150 PolarHBondContact O-N 2.8Å; F143-C152 HydrophobicContact CE1-CB 4.32Å |
| 144 | T | 96.8 | Very high | 97.5 | Very high | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.6 | -177.7 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | F148 L149 V167 | T144-F148 WeakPolarHBondContact CA-O 3.48Å; T144-L149 HydrophobicContact CG2-CD1 3.71Å; T144-V167 HydrophobicContact CG2-CG2 4.49Å |
| 145 | K | 95.3 | Very high | 97.5 | Very high | 88 Ų | 88 | 56 Ų | 56 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 100 | 171.9 | -170.9 | 172.5 | -176.8 | 170.2 | 0 | 108.3 | N110 F148 F150 | N110-K145 PolarHBondContact OD1-NZ 3.01Å; N110-K145 VanDerWaalsContact OD1-NZ 3.12Å; K145-F148 PolarHBondContact N-O 2.95Å; K145-F148 PolarHBondContact O-N 3.39Å; K145-F150 HydrophobicContact CB-CD2 3.8Å; K145-F150 HydrophobicContact CB-CE2 3.82Å |
| 146 | G | 93.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | -135.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F148 | G146-F148 PolarHBondContact O-N 2.99Š|
| 147 | P | 95.3 | Very high | 97 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 41% | 0.409 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 20.7 | 178.8 | 37.1 | -36.2 | 0 | 0 | 0 | 113 | V167 | P147-V167 PolarHBondContact O-N 2.86Š|
| 148 | F | 97.6 | Very high | 96.8 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 18% | 0.175 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146 | -173.6 | -51.4 | -65.8 | 0 | 0 | 0 | 111.1 | T144 K145 G146 F150 I196 T198 | T144-F148 WeakPolarHBondContact CA-O 3.48Å; K145-F148 PolarHBondContact N-O 2.95Å; K145-F148 PolarHBondContact O-N 3.39Å; G146-F148 PolarHBondContact O-N 2.99Å; F148-F150 HydrophobicContact CB-CD2 4.23Å; F148-F150 HydrophobicContact CB-CE2 3.63Å; F148-F150 HydrophobicContact CB-CZ 4.34Å; F148-I196 HydrophobicContact CB-CG2 3.79Å; F148-I196 HydrophobicContact CD1-CG1 4.43Å; F148-I196 HydrophobicContact CD1-CG2 3.75Å; F148-I196 HydrophobicContact CE1-CG2 4.49Å; F148-I196 HydrophobicContact CG-CG2 3.79Å; F148-T198 HydrophobicContact CE1-CG2 4.04Å |
| 149 | L | 98.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.3 | 171.6 | -170.3 | 66.6 | 0 | 0 | 0 | 108.2 | T144 Y164 A165 V167 Q172 | T144-L149 HydrophobicContact CG2-CD1 3.71Å; L149-Y164 HydrophobicContact CD2-CD1 3.73Å; L149-Y164 HydrophobicContact CD2-CE1 4.27Å; L149-Y164 HydrophobicContact CG-CD1 4.21Å; L149-Y164 WeakPolarHBondContact O-CA 3.4Å; L149-Y164 WeakPolarHBondContact O-CB 3.36Å; L149-Y164 PolarHBondContact O-N 2.99Å; L149-A165 HydrophobicContact CB-CB 4.15Å; L149-A165 HydrophobicContact CD2-CB 4.36Å; L149-A165 PolarHBondContact N-O 3.44Å; L149-A165 PolarHBondContact O-N 2.05Å; L149-A165 VanDerWaalsContact O-N 3.15Å; L149-V167 HydrophobicContact CB-CG2 4.01Å; L149-Q172 VanDerWaalsContact CD2-CD 3.42Å; L149-Q172 HydrophobicContact CD2-CG 4Å |
| 150 | F | 98.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 154.4 | 176.2 | -72.3 | -95.8 | 0 | 0 | 0 | 109.9 | T142 F143 K145 F148 E162 I196 | T142-F150 CarbonylContact C-O 3.56Å; T142-F150 WeakPolarHBondContact CA-O 3.42Å; T142-F150 WeakPolarHBondContact CB-O 3.4Å; F143-F150 HydrophobicContact CD1-CB 4.26Å; F143-F150 HydrophobicContact CE1-CB 3.81Å; F143-F150 HydrophobicContact CE2-CB 4.17Å; F143-F150 HydrophobicContact CZ-CB 3.77Å; F143-F150 PolarHBondContact N-O 2.76Å; F143-F150 PolarHBondContact O-N 2.8Å; K145-F150 HydrophobicContact CB-CD2 3.8Å; K145-F150 HydrophobicContact CB-CE2 3.82Å; F148-F150 HydrophobicContact CB-CD2 4.23Å; F148-F150 HydrophobicContact CB-CE2 3.63Å; F148-F150 HydrophobicContact CB-CZ 4.34Å; F150-E162 CarbonylContact C-O 3.58Å; F150-E162 VanDerWaalsContact CA-O 3.24Å; F150-E162 WeakPolarHBondContact CA-O 3.5Å; F150-I196 HydrophobicContact CE1-CG2 4.41Å; F150-I196 HydrophobicContact CZ-CG2 4.07Å |
| 151 | R | 98.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.9 | 168.5 | -174.5 | 176.2 | -72.8 | -174.6 | -8.9 | 109.2 | T142 V153 S161 E162 Y164 | T142-R151 HydrophobicContact CG2-CB 4.1Å; T142-R151 HydrophobicContact CG2-CG 4.27Å; R151-V153 HydrophobicContact CB-CG2 4.21Å; R151-V153 HydrophobicContact CG-CG2 3.88Å; R151-V153 PolarHBondContact O-N 3.22Å; R151-S161 WeakPolarHBondContact O-CA 3.36Å; R151-E162 PolarHBondContact N-O 3.3Å; R151-E162 PolarHBondContact O-N 3.21Å; R151-Y164 VanDerWaalsContact CZ-CE2 3.43Å; R151-Y164 VanDerWaalsContact NH2-CZ 3.25Å; R151-Y164 PolarHBondContact NH2-OH 2.84Å |
| 152 | C | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.3 | 171.4 | -161.1 | 0 | 0 | 0 | 0 | 109.2 | C129 V137 G140 S141 F143 | C129-C152 HydrophobicContact CB-CB 3.76Å; C129-C152 WeakPolarHBondContact CB-SG 3.36Å; C129-C152 PolarHBondContact N-SG 2.95Å; C129-C152 WeakPolarHBondContact SG-CA 3.32Å; C129-C152 WeakPolarHBondContact SG-CB 3.4Å; C129-C152 CovalentContact SG-SG 2.05Å; C129-C152 PolarHBondContact SG-SG 3.09Å; V137-C152 HydrophobicContact CG1-CB 4.41Å; G140-C152 WeakPolarHBondContact CA-O 3.48Å; G140-C152 PolarHBondContact N-O 3.34Å; S141-C152 PolarHBondContact O-N 3.35Å; F143-C152 HydrophobicContact CE1-CB 4.32Å |
| 153 | V | 98.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 53 Ų | 53 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.3 | -174.1 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | R151 V159 T160 E162 | R151-V153 HydrophobicContact CB-CG2 4.21Å; R151-V153 HydrophobicContact CG-CG2 3.88Å; R151-V153 PolarHBondContact O-N 3.22Å; V153-V159 WeakPolarHBondContact O-CA 3.36Å; V153-T160 PolarHBondContact N-O 2.83Å; V153-T160 PolarHBondContact O-N 3.06Å; V153-E162 HydrophobicContact CB-CG 4.23Å; V153-E162 HydrophobicContact CG2-CB 4.26Å; V153-E162 HydrophobicContact CG2-CG 4.04Å |
| 154 | K | 97.6 | Very high | 96.7 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125 | 173.1 | -176 | 171.7 | -178.4 | 173.7 | 0 | 109.1 | V139 G156 L158 V159 | V139-K154 HydrophobicContact CG1-CB 3.57Å; V139-K154 HydrophobicContact CG2-CB 4.3Å; K154-G156 WeakPolarHBondContact CE-O 3.12Å; K154-G156 VanDerWaalsContact CG-O 3.28Å; K154-G156 WeakPolarHBondContact CG-O 3.31Å; K154-L158 WeakPolarHBondContact CA-O 3.42Å; K154-V159 HydrophobicContact CB-CG2 4.22Å; K154-V159 HydrophobicContact CD-CG2 4.36Å; K154-V159 HydrophobicContact CG-CG2 4.11Å |
| 155 | S | 96.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 102.3 | 173 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | N157 L158 | S155-N157 PolarHBondContact O-N 2.96Å; S155-L158 PolarHBondContact N-O 2.77Å; S155-L158 PolarHBondContact O-N 2.88Å; S155-L158 VanDerWaalsContact O-N 3.11Å |
| 156 | G | 94.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | -123.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K154 | K154-G156 WeakPolarHBondContact CE-O 3.12Å; K154-G156 VanDerWaalsContact CG-O 3.28Å; K154-G156 WeakPolarHBondContact CG-O 3.31Å |
| 157 | N | 91.9 | Very high | 97.1 | Very high | 157 Ų | 157 | 49.8 Ų | 49.8 | 84% | 0.84 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.4 | 177.9 | -65.5 | -19.9 | 0 | 0 | 0 | 113.4 | S155 | S155-N157 PolarHBondContact O-N 2.96Š|
| 158 | L | 94.6 | Very high | 97.2 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.5 | -178.9 | -176.1 | 67 | 0 | 0 | 0 | 110.2 | K154 S155 T160 | K154-L158 WeakPolarHBondContact CA-O 3.42Å; S155-L158 PolarHBondContact N-O 2.77Å; S155-L158 PolarHBondContact O-N 2.88Å; S155-L158 VanDerWaalsContact O-N 3.11Å; L158-T160 HydrophobicContact CD1-CG2 4.27Å; L158-T160 HydrophobicContact CD2-CG2 3.81Å; L158-T160 HydrophobicContact CG-CG2 3.79Å |
| 159 | V | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.9 | 168.2 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | F111 V126 V139 V153 K154 | F111-V159 HydrophobicContact CD1-CG1 4.33Å; F111-V159 HydrophobicContact CE1-CG1 4.41Å; F111-V159 WeakPolarHBondContact CE1-O 3.24Å; V126-V159 HydrophobicContact CB-CB 3.99Å; V126-V159 HydrophobicContact CB-CG2 3.91Å; V126-V159 HydrophobicContact CG1-CB 3.61Å; V126-V159 HydrophobicContact CG1-CG1 4.08Å; V126-V159 HydrophobicContact CG1-CG2 3.95Å; V126-V159 WeakPolarHBondContact O-CG2 3.34Å; V139-V159 HydrophobicContact CG2-CG1 4.34Å; V139-V159 HydrophobicContact CG2-CG2 4.25Å; V153-V159 WeakPolarHBondContact O-CA 3.36Å; K154-V159 HydrophobicContact CB-CG2 4.22Å; K154-V159 HydrophobicContact CD-CG2 4.36Å; K154-V159 HydrophobicContact CG-CG2 4.11Å |
| 160 | T | 97.3 | Very high | 97 | Very high | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.4 | 176.4 | 56.2 | 0 | 0 | 0 | 0 | 112 | V153 L158 K194 | V153-T160 PolarHBondContact N-O 2.83Å; V153-T160 PolarHBondContact O-N 3.06Å; L158-T160 HydrophobicContact CD1-CG2 4.27Å; L158-T160 HydrophobicContact CD2-CG2 3.81Å; L158-T160 HydrophobicContact CG-CG2 3.79Å; T160-K194 HydrophobicContact CG2-CD 4.42Å; T160-K194 PolarHBondContact OG1-NZ 3.26Å |
| 161 | S | 97.2 | Very high | 97 | Very high | 38 Ų | 38 | 59 Ų | 59 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121 | 167.4 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | R151 | R151-S161 WeakPolarHBondContact O-CA 3.36Å |
| 162 | E | 97.7 | Very high | 97 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.1 | 177.8 | -63.1 | -173.7 | 173.8 | 0 | 0 | 110.6 | F150 R151 V153 Y164 K194 | F150-E162 CarbonylContact C-O 3.58Å; F150-E162 VanDerWaalsContact CA-O 3.24Å; F150-E162 WeakPolarHBondContact CA-O 3.5Å; R151-E162 PolarHBondContact N-O 3.3Å; R151-E162 PolarHBondContact O-N 3.21Å; V153-E162 HydrophobicContact CB-CG 4.23Å; V153-E162 HydrophobicContact CG2-CB 4.26Å; V153-E162 HydrophobicContact CG2-CG 4.04Å; E162-Y164 PolarHBondContact O-N 3.46Å; E162-K194 HydrophobicContact CG-CB 4.42Å; E162-K194 HydrophobicContact CG-CD 4.14Å; E162-K194 HydrophobicContact CG-CG 4.08Å |
| 163 | G | 97.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 123.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K194 | G163-K194 PolarHBondContact N-O 3.49Å |
| 164 | Y | 98 | Very high | 97 | Very high | 102 Ų | 102 | 62.7 Ų | 62.7 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -45.1 | -171.9 | -176.9 | -107.1 | 0 | 0 | 0 | 112.6 | T142 L149 R151 E162 | T142-Y164 HydrophobicContact CG2-CD1 4.1Å; T142-Y164 HydrophobicContact CG2-CE1 4.41Å; T142-Y164 HydrophobicContact CG2-CG 4.41Å; L149-Y164 HydrophobicContact CD2-CD1 3.73Å; L149-Y164 HydrophobicContact CD2-CE1 4.27Å; L149-Y164 HydrophobicContact CG-CD1 4.21Å; L149-Y164 WeakPolarHBondContact O-CA 3.4Å; L149-Y164 WeakPolarHBondContact O-CB 3.36Å; L149-Y164 PolarHBondContact O-N 2.99Å; R151-Y164 VanDerWaalsContact CZ-CE2 3.43Å; R151-Y164 VanDerWaalsContact NH2-CZ 3.25Å; R151-Y164 PolarHBondContact NH2-OH 2.84Å; E162-Y164 PolarHBondContact O-N 3.46Å |
| 165 | A | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 159.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | L149 I173 | L149-A165 HydrophobicContact CB-CB 4.15Å; L149-A165 HydrophobicContact CD2-CB 4.36Å; L149-A165 PolarHBondContact N-O 3.44Å; L149-A165 PolarHBondContact O-N 2.05Å; L149-A165 VanDerWaalsContact O-N 3.15Å; A165-I173 CarbonylContact C-O 3.58Å; A165-I173 WeakPolarHBondContact CA-O 3.38Å; A165-I173 VanDerWaalsContact CB-O 3.27Å; A165-I173 WeakPolarHBondContact CB-O 3.35Å |
| 166 | C | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 155.8 | 165.3 | -59.8 | 0 | 0 | 0 | 0 | 109 | I173 F179 C188 T198 | C166-I173 HydrophobicContact CB-CB 4.31Å; C166-I173 PolarHBondContact N-O 3.23Å; C166-I173 PolarHBondContact O-N 2.93Å; C166-F179 HydrophobicContact CB-CE1 4.48Å; C166-C188 HydrophobicContact CB-CB 3.75Å; C166-C188 WeakPolarHBondContact CB-SG 3.48Å; C166-C188 PolarHBondContact N-SG 3.31Å; C166-C188 WeakPolarHBondContact SG-CA 3.38Å; C166-C188 WeakPolarHBondContact SG-CB 3.26Å; C166-C188 CovalentContact SG-SG 2.04Å; C166-C188 PolarHBondContact SG-SG 2.8Å; C166-T198 HydrophobicContact CB-CG2 4.07Å |
| 167 | V | 97.7 | Very high | 97.3 | Very high | 38 Ų | 38 | 57 Ų | 57 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.9 | 176.4 | -176 | 0 | 0 | 0 | 0 | 108.6 | T144 P147 L149 Q171 | T144-V167 HydrophobicContact CG2-CG2 4.49Å; P147-V167 PolarHBondContact O-N 2.86Å; L149-V167 HydrophobicContact CB-CG2 4.01Å; V167-Q171 WeakPolarHBondContact CA-O 3.4Å |
| 168 | S | 97.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.9 | 172.5 | -165.3 | 0 | 0 | 0 | 0 | 109 | G170 Q171 F179 | S168-G170 PolarHBondContact O-N 3.4Å; S168-G170 VanDerWaalsContact O-N 3.11Å; S168-Q171 PolarHBondContact N-O 2.89Å; S168-Q171 WeakPolarHBondContact O-CA 3.35Å; S168-Q171 WeakPolarHBondContact O-CB 3.37Å; S168-Q171 PolarHBondContact O-N 2.99Å; S168-F179 VanDerWaalsContact CB-CD2 3.44Å; S168-F179 WeakPolarHBondContact OG-CD2 3.17Å; S168-F179 WeakPolarHBondContact OG-CE2 3.2Å |
| 169 | D | 95.7 | Very high | 97.8 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 66% | 0.658 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38 | 175.7 | -46.8 | -48.4 | 0 | 0 | 0 | 113.2 | Q171 R181 | D169-Q171 PolarHBondContact O-N 2.91Å; D169-R181 IonicContact OD1-NH2 3.5Å |
| 170 | G | 96 | Very high | 97.7 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -12.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | S168 | S168-G170 PolarHBondContact O-N 3.4Å; S168-G170 VanDerWaalsContact O-N 3.11Å |
| 171 | Q | 97.8 | Very high | 97.6 | Very high | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.5 | 179.3 | -170.9 | 177.7 | -2.9 | 0 | 0 | 111.9 | V167 S168 D169 I173 | V167-Q171 WeakPolarHBondContact CA-O 3.4Å; S168-Q171 PolarHBondContact N-O 2.89Å; S168-Q171 WeakPolarHBondContact O-CA 3.35Å; S168-Q171 WeakPolarHBondContact O-CB 3.37Å; S168-Q171 PolarHBondContact O-N 2.99Å; D169-Q171 PolarHBondContact O-N 2.91Å; Q171-I173 HydrophobicContact CG-CD1 4.06Å |
| 172 | Q | 98.1 | Very high | 97.4 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.8 | 172.1 | -60.6 | -179.5 | 28.4 | 0 | 0 | 110 | L149 | L149-Q172 VanDerWaalsContact CD2-CD 3.42Å; L149-Q172 HydrophobicContact CD2-CG 4Å |
| 173 | I | 98.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.046 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 112.5 | 176.7 | -50 | -60.8 | 0 | 0 | 0 | 108 | A165 C166 Q171 F179 C188 | A165-I173 CarbonylContact C-O 3.58Å; A165-I173 WeakPolarHBondContact CA-O 3.38Å; A165-I173 VanDerWaalsContact CB-O 3.27Å; A165-I173 WeakPolarHBondContact CB-O 3.35Å; C166-I173 HydrophobicContact CB-CB 4.31Å; C166-I173 PolarHBondContact N-O 3.23Å; C166-I173 PolarHBondContact O-N 2.93Å; Q171-I173 HydrophobicContact CG-CD1 4.06Å; I173-F179 HydrophobicContact CB-CD1 4.35Å; I173-F179 HydrophobicContact CD1-CB 4.01Å; I173-F179 HydrophobicContact CG1-CB 4.1Å; I173-F179 HydrophobicContact CG1-CD1 3.92Å; I173-F179 HydrophobicContact CG1-CG 4.15Å; I173-F179 HydrophobicContact CG2-CD1 4.09Å; I173-C188 HydrophobicContact CG2-CB 4.16Å |
| 174 | P | 98.5 | Very high | 97 | Very high | 84 Ų | 84 | 62 Ų | 62 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 158 | -180 | 28.3 | -35.2 | 0 | 0 | 0 | 110.9 | G176 G177 | P174-G176 PolarHBondContact O-N 2.8Å; P174-G177 WeakPolarHBondContact O-CA 3.46Å; P174-G177 PolarHBondContact O-N 2.81Å |
| 175 | I | 98.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 57.6 Ų | 57.6 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.7 | 172.4 | -61.2 | 170.4 | 0 | 0 | 0 | 109.3 | G177 R190 I196 | I175-G177 VanDerWaalsContact C-N 3.31Å; I175-R190 HydrophobicContact CG2-CB 4.28Å; I175-I196 HydrophobicContact CD1-CD1 4.19Å; I175-I196 HydrophobicContact CG1-CD1 3.73Å; I175-I196 HydrophobicContact CG1-CG1 4.46Å |
| 176 | G | 98.2 | Very high | 96.8 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -21.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P174 Q187 C188 | P174-G176 PolarHBondContact O-N 2.8Å; G176-Q187 PolarHBondContact O-NE2 2.76Å; G176-C188 WeakPolarHBondContact CA-O 3.43Å; G176-C188 PolarHBondContact N-O 3.32Å |
| 177 | G | 98.5 | Very high | 96.8 | Very high | 20 Ų | 20 | 62 Ų | 62 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | trans | -67.9 | 155 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P174 I175 Q187 C188 | P174-G177 WeakPolarHBondContact O-CA 3.46Å; P174-G177 PolarHBondContact O-N 2.81Å; I175-G177 VanDerWaalsContact C-N 3.31Å; G177-Q187 WeakPolarHBondContact O-CA 3.27Å; G177-C188 PolarHBondContact O-N 2.79Å | ||
| 178 | T | 98.2 | Very high | 96.8 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 155.3 | 179.3 | 69 | 0 | 0 | 0 | 0 | 111.5 | W185 Y186 Q187 Q209 | T178-W185 HydrophobicContact CG2-CE3 3.99Å; T178-W185 HydrophobicContact CG2-CZ3 3.6Å; T178-Y186 CarbonylContact C-O 3.57Å; T178-Y186 WeakPolarHBondContact CA-O 3Å; T178-Y186 WeakPolarHBondContact CB-O 3.44Å; T178-Q187 HydrophobicContact CG2-CB 4.25Å; T178-Q187 HydrophobicContact CG2-CG 4.21Å; T178-Q209 PolarHBondContact OG1-NE2 3.1Å; T178-Q209 PolarHBondContact OG1-OE1 2.88Å |
| 179 | F | 98 | Very high | 96.8 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 10% | 0.101 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.9 | 175.7 | 63.8 | -80.6 | 0 | 0 | 0 | 110.5 | C166 S168 I173 W185 Y186 T198 | C166-F179 HydrophobicContact CB-CE1 4.48Å; S168-F179 VanDerWaalsContact CB-CD2 3.44Å; S168-F179 WeakPolarHBondContact OG-CD2 3.17Å; S168-F179 WeakPolarHBondContact OG-CE2 3.2Å; I173-F179 HydrophobicContact CB-CD1 4.35Å; I173-F179 HydrophobicContact CD1-CB 4.01Å; I173-F179 HydrophobicContact CG1-CB 4.1Å; I173-F179 HydrophobicContact CG1-CD1 3.92Å; I173-F179 HydrophobicContact CG1-CG 4.15Å; I173-F179 HydrophobicContact CG2-CD1 4.09Å; F179-W185 CarbonylContact O-C 3.51Å; F179-W185 VanDerWaalsContact O-CA 3.31Å; F179-W185 WeakPolarHBondContact O-CA 3.41Å; F179-Y186 HydrophobicContact CD2-CD2 4.46Å; F179-Y186 HydrophobicContact CE2-CD2 4.02Å; F179-Y186 HydrophobicContact CE2-CG 4.11Å; F179-Y186 VanDerWaalsContact CZ-CB 3.47Å; F179-Y186 HydrophobicContact CZ-CD2 4.39Å; F179-Y186 AromaticContact CZ-CG 4Å; F179-Y186 HydrophobicContact CZ-CG 4Å; F179-Y186 PolarHBondContact N-O 3.34Å; F179-Y186 PolarHBondContact O-N 3.34Å; F179-T198 HydrophobicContact CE1-CG2 4Å; F179-T198 HydrophobicContact CZ-CG2 3.65Å |
| 180 | V | 96.5 | Very high | 96.9 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.418 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134.7 | -179.6 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | F184 W185 A204 Q209 | V180-F184 WeakPolarHBondContact CA-O 3.42Å; V180-W185 HydrophobicContact CG2-CB 4Å; V180-A204 HydrophobicContact CB-CB 4.37Å; V180-A204 HydrophobicContact CG1-CB 3.45Å; V180-A204 VanDerWaalsContact CG1-CB 3.45Å; V180-A204 HydrophobicContact CG2-CB 4Å; V180-Q209 HydrophobicContact CG2-CG 4.45Å |
| 181 | R | 94.6 | Very high | 96.8 | Very high | 135 Ų | 135 | 62.2 Ų | 62.2 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 111.3 | 171.4 | -162.2 | 177.8 | -146.2 | 178.2 | 6.2 | 109.4 | D169 Q183 F184 Y186 | D169-R181 IonicContact OD1-NH2 3.5Å; R181-Q183 PolarHBondContact O-N 3.38Å; R181-F184 PolarHBondContact N-O 3.36Å; R181-F184 PolarHBondContact O-N 3.38Å; R181-Y186 HydrophobicContact CB-CD2 4.17Å; R181-Y186 HydrophobicContact CB-CE2 3.77Å |
| 182 | G | 93.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 59 Ų | 59 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -128.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F184 | G182-F184 VanDerWaalsContact C-N 3.28Å; G182-F184 PolarHBondContact O-N 3.42Å |
| 183 | Q | 92.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 12.8 | 179.8 | -65.8 | -179.2 | -17.3 | 0 | 0 | 113.3 | R181 C203 A204 H243 | R181-Q183 PolarHBondContact O-N 3.38Å; Q183-C203 CarbonylContact O-C 3.6Å; Q183-C203 WeakPolarHBondContact O-CA 3.47Å; Q183-A204 PolarHBondContact O-N 2.77Å; Q183-H243 PolarHBondContact OE1-NE2 2.88Å |
| 184 | F | 94.2 | Very high | 96.3 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.4 | -170.4 | -45.4 | -46 | 0 | 0 | 0 | 110.7 | V180 R181 G182 Y186 L200 G202 V241 | V180-F184 WeakPolarHBondContact CA-O 3.42Å; R181-F184 PolarHBondContact N-O 3.36Å; R181-F184 PolarHBondContact O-N 3.38Å; G182-F184 VanDerWaalsContact C-N 3.28Å; G182-F184 PolarHBondContact O-N 3.42Å; F184-Y186 HydrophobicContact CB-CE2 3.82Å; F184-L200 HydrophobicContact CB-CD1 3.75Å; F184-L200 HydrophobicContact CG-CD1 4.36Å; F184-G202 WeakPolarHBondContact CA-O 3.49Å; F184-V241 HydrophobicContact CB-CG2 4.36Å; F184-V241 HydrophobicContact CD1-CB 3.32Å; F184-V241 HydrophobicContact CD1-CG1 3.66Å; F184-V241 HydrophobicContact CD1-CG2 3.35Å; F184-V241 HydrophobicContact CE1-CB 3.28Å; F184-V241 HydrophobicContact CE1-CG1 3.65Å; F184-V241 HydrophobicContact CE1-CG2 3.87Å; F184-V241 HydrophobicContact CG-CB 4.2Å; F184-V241 HydrophobicContact CG-CG2 3.84Å; F184-V241 HydrophobicContact CZ-CB 4.02Å |
| 185 | W | 96.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 3% | 0.034 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.1 | 171.8 | 75 | -87.2 | 0 | 0 | 0 | 111.2 | T178 F179 V180 Q187 R201 G202 C203 Q209 L210 H211 | T178-W185 HydrophobicContact CG2-CE3 3.99Å; T178-W185 HydrophobicContact CG2-CZ3 3.6Å; F179-W185 CarbonylContact O-C 3.51Å; F179-W185 VanDerWaalsContact O-CA 3.31Å; F179-W185 WeakPolarHBondContact O-CA 3.41Å; V180-W185 HydrophobicContact CG2-CB 4Å; W185-Q187 HydrophobicContact CZ3-CB 4.47Å; W185-R201 HydrophobicContact CD2-CB 3.75Å; W185-R201 HydrophobicContact CE3-CB 3.57Å; W185-R201 HydrophobicContact CE3-CG 4.06Å; W185-R201 HydrophobicContact CH2-CB 3.16Å; W185-R201 HydrophobicContact CH2-CG 3.63Å; W185-R201 HydrophobicContact CZ2-CB 3.31Å; W185-R201 HydrophobicContact CZ2-CG 4.28Å; W185-R201 HydrophobicContact CZ3-CB 3.27Å; W185-R201 HydrophobicContact CZ3-CG 3.47Å; W185-R201 VanDerWaalsContact CZ3-CG 3.47Å; W185-R201 PolarHBondContact O-N 3Å; W185-G202 PolarHBondContact N-O 3.18Å; W185-G202 VanDerWaalsContact N-O 3.08Å; W185-G202 PolarHBondContact O-N 3.04Å; W185-C203 VanDerWaalsContact CD1-O 3.27Å; W185-Q209 HydrophobicContact CB-CG 3.96Å; W185-Q209 HydrophobicContact CD2-CB 4.03Å; W185-Q209 HydrophobicContact CD2-CG 4.14Å; W185-Q209 HydrophobicContact CG-CB 3.9Å; W185-Q209 HydrophobicContact CG-CG 3.78Å; W185-L210 PolarHBondContact NE1-O 3.11Å; W185-H211 AromaticContact CH2-CE1 3.55Å; W185-H211 AromaticContact CH2-ND1 3.93Å; W185-H211 AromaticContact CZ2-CE1 3.46Å; W185-H211 VanDerWaalsContact CZ2-CE1 3.46Å; W185-H211 WeakPolarHBondContact CZ2-CE1 3.04Å; W185-H211 AromaticContact CZ2-ND1 3.49Å; W185-H211 WeakPolarHBondContact CZ2-ND1 3.36Å |
| 186 | Y | 96.6 | Very high | 96.2 | Very high | 51 Ų | 51 | 59 Ų | 59 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.3 | -171.4 | -60.9 | -96.3 | 0 | 0 | 0 | 109.1 | T178 F179 R181 F184 E199 L200 | T178-Y186 CarbonylContact C-O 3.57Å; T178-Y186 WeakPolarHBondContact CA-O 3Å; T178-Y186 WeakPolarHBondContact CB-O 3.44Å; F179-Y186 HydrophobicContact CD2-CD2 4.46Å; F179-Y186 HydrophobicContact CE2-CD2 4.02Å; F179-Y186 HydrophobicContact CE2-CG 4.11Å; F179-Y186 VanDerWaalsContact CZ-CB 3.47Å; F179-Y186 HydrophobicContact CZ-CD2 4.39Å; F179-Y186 AromaticContact CZ-CG 4Å; F179-Y186 HydrophobicContact CZ-CG 4Å; F179-Y186 PolarHBondContact N-O 3.34Å; F179-Y186 PolarHBondContact O-N 3.34Å; R181-Y186 HydrophobicContact CB-CD2 4.17Å; R181-Y186 HydrophobicContact CB-CE2 3.77Å; F184-Y186 HydrophobicContact CB-CE2 3.82Å; Y186-E199 CarbonylContact C-O 3.55Å; Y186-E199 WeakPolarHBondContact CA-O 3.44Å; Y186-L200 HydrophobicContact CD1-CB 4.13Å; Y186-L200 HydrophobicContact CD1-CD1 4.26Å; Y186-L200 HydrophobicContact CE1-CB 3.98Å; Y186-L200 HydrophobicContact CE1-CD1 3.83Å; Y186-L200 HydrophobicContact CE1-CG 4.48Å; Y186-L200 HydrophobicContact CE2-CD1 4.47Å |
| 187 | Q | 97.5 | Very high | 96.1 | Very high | 45 Ų | 45 | 60 Ų | 60 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.8 | 168.6 | -174 | 172.7 | 35.6 | 0 | 0 | 109.6 | G176 G177 T178 W185 S189 E199 R201 | G176-Q187 PolarHBondContact O-NE2 2.76Å; G177-Q187 WeakPolarHBondContact O-CA 3.27Å; T178-Q187 HydrophobicContact CG2-CB 4.25Å; T178-Q187 HydrophobicContact CG2-CG 4.21Å; W185-Q187 HydrophobicContact CZ3-CB 4.47Å; Q187-S189 PolarHBondContact O-N 2.97Å; Q187-E199 PolarHBondContact N-O 2.72Å; Q187-E199 PolarHBondContact O-N 3.4Å; Q187-R201 HydrophobicContact CB-CG 3.67Å |
| 188 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 116.5 | 170.7 | -165.4 | 0 | 0 | 0 | 0 | 109.5 | C166 I173 G176 G177 I196 | C166-C188 HydrophobicContact CB-CB 3.75Å; C166-C188 WeakPolarHBondContact CB-SG 3.48Å; C166-C188 PolarHBondContact N-SG 3.31Å; C166-C188 WeakPolarHBondContact SG-CA 3.38Å; C166-C188 WeakPolarHBondContact SG-CB 3.26Å; C166-C188 CovalentContact SG-SG 2.04Å; C166-C188 PolarHBondContact SG-SG 2.8Å; I173-C188 HydrophobicContact CG2-CB 4.16Å; G176-C188 WeakPolarHBondContact CA-O 3.43Å; G176-C188 PolarHBondContact N-O 3.32Å; G177-C188 PolarHBondContact O-N 2.79Å; C188-I196 VanDerWaalsContact SG-CD1 3.57Å |
| 189 | S | 97.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.1 | -174.5 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | Q187 I196 Q197 E199 | Q187-S189 PolarHBondContact O-N 2.97Å; S189-I196 WeakPolarHBondContact O-CA 3.35Å; S189-Q197 PolarHBondContact N-O 3.18Å; S189-Q197 PolarHBondContact O-N 2.92Å; S189-E199 WeakPolarHBondContact CB-OE1 3.43Å; S189-E199 PolarHBondContact OG-OE1 3.45Å; S189-E199 PolarHBondContact OG-OE2 3.47Å |
| 190 | R | 97.2 | Very high | 95.5 | Very high | 145 Ų | 145 | 61 Ų | 61 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.6 | 175.2 | -174.1 | 174.2 | -77.4 | -171.4 | -5.2 | 110.1 | I175 G192 G195 | I175-R190 HydrophobicContact CG2-CB 4.28Å; R190-G192 WeakPolarHBondContact CG-O 2.86Å; R190-G195 WeakPolarHBondContact CG-O 3.33Å |
| 191 | I | 95.1 | Very high | 95.5 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119 | 170.2 | -44.1 | 162.7 | 0 | 0 | 0 | 109 | G195 Q197 | I191-G195 PolarHBondContact N-O 2.82Å; I191-G195 CarbonylContact O-C 3.58Å; I191-G195 WeakPolarHBondContact O-CA 2.89Å; I191-G195 PolarHBondContact O-N 2.89Å; I191-Q197 HydrophobicContact CD1-CB 3.43Å; I191-Q197 VanDerWaalsContact CD1-CB 3.43Å; I191-Q197 HydrophobicContact CD1-CG 3.68Å; I191-Q197 HydrophobicContact CG1-CB 3.69Å; I191-Q197 HydrophobicContact CG1-CG 3.35Å |
| 192 | G | 95.5 | Very high | 95.6 | Very high | 64 Ų | 64 | 55 Ų | 55 | 66% | 0.66 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -149.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R190 | R190-G192 WeakPolarHBondContact CG-O 2.86Š|
| 193 | E | 94.6 | Very high | 95.7 | Very high | 165 Ų | 165 | 51.6 Ų | 51.6 | 77% | 0.771 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -37.7 | -175.9 | -64.4 | -173.6 | 165.3 | 0 | 0 | 113.3 | ||
| 194 | K | 94.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 48 Ų | 48 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -9.7 | -168.3 | -57.8 | -174.1 | 178.7 | -177 | 0 | 114.1 | T160 E162 G163 | T160-K194 HydrophobicContact CG2-CD 4.42Å; T160-K194 PolarHBondContact OG1-NZ 3.26Å; E162-K194 HydrophobicContact CG-CB 4.42Å; E162-K194 HydrophobicContact CG-CD 4.14Å; E162-K194 HydrophobicContact CG-CG 4.08Å; G163-K194 PolarHBondContact N-O 3.49Å |
| 195 | G | 95.7 | Very high | 96.1 | Very high | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 159.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | R190 I191 | R190-G195 WeakPolarHBondContact CG-O 3.33Å; I191-G195 PolarHBondContact N-O 2.82Å; I191-G195 CarbonylContact O-C 3.58Å; I191-G195 WeakPolarHBondContact O-CA 2.89Å; I191-G195 PolarHBondContact O-N 2.89Å |
| 196 | I | 97.4 | Very high | 96 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141 | 177.2 | -170 | 165.6 | 0 | 0 | 0 | 108.7 | F148 F150 I175 C188 S189 | F148-I196 HydrophobicContact CB-CG2 3.79Å; F148-I196 HydrophobicContact CD1-CG1 4.43Å; F148-I196 HydrophobicContact CD1-CG2 3.75Å; F148-I196 HydrophobicContact CE1-CG2 4.49Å; F148-I196 HydrophobicContact CG-CG2 3.79Å; F150-I196 HydrophobicContact CE1-CG2 4.41Å; F150-I196 HydrophobicContact CZ-CG2 4.07Å; I175-I196 HydrophobicContact CD1-CD1 4.19Å; I175-I196 HydrophobicContact CG1-CD1 3.73Å; I175-I196 HydrophobicContact CG1-CG1 4.46Å; C188-I196 VanDerWaalsContact SG-CD1 3.57Å; S189-I196 WeakPolarHBondContact O-CA 3.35Å |
| 197 | Q | 96.1 | Very high | 96 | Very high | 64 Ų | 64 | 53 Ų | 53 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161 | 175.8 | 62.9 | -177.2 | 11.5 | 0 | 0 | 112.1 | S189 I191 E199 | S189-Q197 PolarHBondContact N-O 3.18Å; S189-Q197 PolarHBondContact O-N 2.92Å; I191-Q197 HydrophobicContact CD1-CB 3.43Å; I191-Q197 VanDerWaalsContact CD1-CB 3.43Å; I191-Q197 HydrophobicContact CD1-CG 3.68Å; I191-Q197 HydrophobicContact CG1-CB 3.69Å; I191-Q197 HydrophobicContact CG1-CG 3.35Å; Q197-E199 HydrophobicContact CG-CG 3.98Å; Q197-E199 PolarHBondContact NE2-OE1 2.89Å |
| 198 | T | 95.4 | Very high | 96 | Very high | 54 Ų | 54 | 59.1 Ų | 59.1 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.3 | 164.7 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | F148 C166 F179 | F148-T198 HydrophobicContact CE1-CG2 4.04Å; C166-T198 HydrophobicContact CB-CG2 4.07Å; F179-T198 HydrophobicContact CE1-CG2 4Å; F179-T198 HydrophobicContact CZ-CG2 3.65Å |
| 199 | E | 93.6 | Very high | 96 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.1 | 175.5 | -72.8 | 174.4 | -168.3 | 0 | 0 | 110.3 | Y186 Q187 S189 Q197 R201 | Y186-E199 CarbonylContact C-O 3.55Å; Y186-E199 WeakPolarHBondContact CA-O 3.44Å; Q187-E199 PolarHBondContact N-O 2.72Å; Q187-E199 PolarHBondContact O-N 3.4Å; S189-E199 WeakPolarHBondContact CB-OE1 3.43Å; S189-E199 PolarHBondContact OG-OE1 3.45Å; S189-E199 PolarHBondContact OG-OE2 3.47Å; Q197-E199 HydrophobicContact CG-CG 3.98Å; Q197-E199 PolarHBondContact NE2-OE1 2.89Å; E199-R201 PolarHBondContact O-N 3.45Å; E199-R201 IonicContact OE2-CZ 2.95Å; E199-R201 IonicContact OE2-NE 3.09Å; E199-R201 IonicContact OE2-NH1 3.41Å; E199-R201 PolarHBondContact OE2-NH1 2.84Å; E199-R201 IonicContact OE2-NH2 3.93Å; E199-R201 PolarHBondContact OE2-NH2 3.45Å |
| 200 | L | 94.1 | Very high | 96 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 120.6 | 169 | 175.5 | 65.1 | 0 | 0 | 0 | 109.6 | F184 Y186 V227 A239 V241 | F184-L200 HydrophobicContact CB-CD1 3.75Å; F184-L200 HydrophobicContact CG-CD1 4.36Å; Y186-L200 HydrophobicContact CD1-CB 4.13Å; Y186-L200 HydrophobicContact CD1-CD1 4.26Å; Y186-L200 HydrophobicContact CE1-CB 3.98Å; Y186-L200 HydrophobicContact CE1-CD1 3.83Å; Y186-L200 HydrophobicContact CE1-CG 4.48Å; Y186-L200 HydrophobicContact CE2-CD1 4.47Å; L200-V227 HydrophobicContact CD2-CG1 3.87Å; L200-V227 HydrophobicContact CG-CG1 4.14Å; L200-A239 HydrophobicContact CB-CB 4.31Å; L200-A239 HydrophobicContact CD2-CB 3.59Å; L200-A239 WeakPolarHBondContact CD2-O 3.35Å; L200-V241 HydrophobicContact CD1-CG2 3.66Å; L200-V241 HydrophobicContact CD2-CG2 3.53Å; L200-V241 HydrophobicContact CG-CG2 3.95Å |
| 201 | R | 95.7 | Very high | 96 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -26.4 | -175.9 | -69.3 | -64.3 | -161.7 | -154.3 | -6.1 | 114.2 | W185 Q187 E199 | W185-R201 HydrophobicContact CD2-CB 3.75Å; W185-R201 HydrophobicContact CE3-CB 3.57Å; W185-R201 HydrophobicContact CE3-CG 4.06Å; W185-R201 HydrophobicContact CH2-CB 3.16Å; W185-R201 HydrophobicContact CH2-CG 3.63Å; W185-R201 HydrophobicContact CZ2-CB 3.31Å; W185-R201 HydrophobicContact CZ2-CG 4.28Å; W185-R201 HydrophobicContact CZ3-CB 3.27Å; W185-R201 HydrophobicContact CZ3-CG 3.47Å; W185-R201 VanDerWaalsContact CZ3-CG 3.47Å; W185-R201 PolarHBondContact O-N 3Å; Q187-R201 HydrophobicContact CB-CG 3.67Å; E199-R201 PolarHBondContact O-N 3.45Å; E199-R201 IonicContact OE2-CZ 2.95Å; E199-R201 IonicContact OE2-NE 3.09Å; E199-R201 IonicContact OE2-NH1 3.41Å; E199-R201 PolarHBondContact OE2-NH1 2.84Å; E199-R201 IonicContact OE2-NH2 3.93Å; E199-R201 PolarHBondContact OE2-NH2 3.45Å |
| 202 | G | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.9 | -149.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F184 W185 L210 | F184-G202 WeakPolarHBondContact CA-O 3.49Å; W185-G202 PolarHBondContact N-O 3.18Å; W185-G202 VanDerWaalsContact N-O 3.08Å; W185-G202 PolarHBondContact O-N 3.04Å; G202-L210 CarbonylContact C-O 3.57Å; G202-L210 VanDerWaalsContact CA-O 3.26Å; G202-L210 WeakPolarHBondContact CA-O 3.24Å |
| 203 | C | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.1 | -171.3 | -56 | 0 | 0 | 0 | 0 | 111.3 | Q183 W185 V205 L210 C225 V241 | Q183-C203 CarbonylContact O-C 3.6Å; Q183-C203 WeakPolarHBondContact O-CA 3.47Å; W185-C203 VanDerWaalsContact CD1-O 3.27Å; C203-V205 HydrophobicContact CB-CG2 4.2Å; C203-L210 HydrophobicContact CB-CB 4.25Å; C203-L210 PolarHBondContact N-O 3.08Å; C203-L210 PolarHBondContact O-N 3.34Å; C203-C225 HydrophobicContact CB-CB 3.85Å; C203-C225 WeakPolarHBondContact CB-SG 3.47Å; C203-C225 PolarHBondContact N-SG 2.86Å; C203-C225 WeakPolarHBondContact SG-CA 3.4Å; C203-C225 WeakPolarHBondContact SG-CB 3.49Å; C203-C225 CovalentContact SG-SG 2.03Å; C203-C225 PolarHBondContact SG-SG 2.83Å; C203-V241 HydrophobicContact CB-CG1 4.45Å; C203-V241 WeakPolarHBondContact SG-CG1 3.26Å |
| 204 | A | 97 | Very high | 96.3 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V180 Q183 R208 | V180-A204 HydrophobicContact CB-CB 4.37Å; V180-A204 HydrophobicContact CG1-CB 3.45Å; V180-A204 VanDerWaalsContact CG1-CB 3.45Å; V180-A204 HydrophobicContact CG2-CB 4Å; Q183-A204 PolarHBondContact O-N 2.77Å; A204-R208 CarbonylContact C-O 3.56Å; A204-R208 VanDerWaalsContact CA-O 3.32Å; A204-R208 WeakPolarHBondContact CA-O 3.09Å |
| 205 | V | 96.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.5 | -178.3 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | C203 G207 R208 L210 Y216 | C203-V205 HydrophobicContact CB-CG2 4.2Å; V205-G207 PolarHBondContact O-N 2.03Å; V205-R208 PolarHBondContact N-O 2.82Å; V205-R208 WeakPolarHBondContact O-CB 3.11Å; V205-R208 PolarHBondContact O-N 2.9Å; V205-L210 HydrophobicContact CB-CD1 4.2Å; V205-L210 HydrophobicContact CG2-CD1 3.99Å; V205-Y216 HydrophobicContact CB-CE2 4.47Å; V205-Y216 HydrophobicContact CG1-CD2 3.76Å; V205-Y216 HydrophobicContact CG1-CE2 3.66Å; V205-Y216 HydrophobicContact CG1-CG 4.35Å; V205-Y216 HydrophobicContact CG2-CD1 4.25Å; V205-Y216 HydrophobicContact CG2-CE1 3.85Å; V205-Y216 HydrophobicContact CG2-CE2 4.18Å |
| 206 | D | 95.5 | Very high | 96.5 | Very high | 121 Ų | 121 | 57.2 Ų | 57.2 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43.6 | 176 | -51.2 | -34.7 | 0 | 0 | 0 | 112.2 | R208 K218 | D206-R208 VanDerWaalsContact C-N 3.29Å; D206-R208 PolarHBondContact O-N 3.15Å; D206-K218 IonicContact OD1-NZ 2.67Å; D206-K218 PolarHBondContact OD1-NZ 3.32Å; D206-K218 IonicContact OD2-NZ 2.83Å; D206-K218 PolarHBondContact OD2-NZ 3.35Å |
| 207 | G | 95.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 89% | 0.887 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -7.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V205 | V205-G207 PolarHBondContact O-N 2.03Š|
| 208 | R | 97.5 | Very high | 96.5 | Very high | 173 Ų | 173 | 59.2 Ų | 59.2 | 65% | 0.653 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.8 | -179.9 | -61.2 | 174.4 | 60 | 176.4 | -2.2 | 111.5 | A204 V205 D206 L210 | A204-R208 CarbonylContact C-O 3.56Å; A204-R208 VanDerWaalsContact CA-O 3.32Å; A204-R208 WeakPolarHBondContact CA-O 3.09Å; V205-R208 PolarHBondContact N-O 2.82Å; V205-R208 WeakPolarHBondContact O-CB 3.11Å; V205-R208 PolarHBondContact O-N 2.9Å; D206-R208 VanDerWaalsContact C-N 3.29Å; D206-R208 PolarHBondContact O-N 3.15Å; R208-L210 HydrophobicContact CB-CD2 4.5Å |
| 209 | Q | 97.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118 | 169.9 | -65.6 | -179.5 | 7.9 | 0 | 0 | 108.6 | T178 V180 W185 | T178-Q209 PolarHBondContact OG1-NE2 3.1Å; T178-Q209 PolarHBondContact OG1-OE1 2.88Å; V180-Q209 HydrophobicContact CG2-CG 4.45Å; W185-Q209 HydrophobicContact CB-CG 3.96Å; W185-Q209 HydrophobicContact CD2-CB 4.03Å; W185-Q209 HydrophobicContact CD2-CG 4.14Å; W185-Q209 HydrophobicContact CG-CB 3.9Å; W185-Q209 HydrophobicContact CG-CG 3.78Å |
| 210 | L | 97.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.8 | 178.6 | -56.2 | 178 | 0 | 0 | 0 | 109.5 | W185 G202 C203 V205 R208 E214 Y216 C225 | W185-L210 PolarHBondContact NE1-O 3.11Å; G202-L210 CarbonylContact C-O 3.57Å; G202-L210 VanDerWaalsContact CA-O 3.26Å; G202-L210 WeakPolarHBondContact CA-O 3.24Å; C203-L210 HydrophobicContact CB-CB 4.25Å; C203-L210 PolarHBondContact N-O 3.08Å; C203-L210 PolarHBondContact O-N 3.34Å; V205-L210 HydrophobicContact CB-CD1 4.2Å; V205-L210 HydrophobicContact CG2-CD1 3.99Å; R208-L210 HydrophobicContact CB-CD2 4.5Å; L210-E214 WeakPolarHBondContact CA-OE2 3.36Å; L210-E214 HydrophobicContact CB-CB 4.21Å; L210-Y216 HydrophobicContact CD1-CD1 3.38Å; L210-Y216 HydrophobicContact CD1-CE1 4.16Å; L210-Y216 HydrophobicContact CD1-CG 3.83Å; L210-C225 HydrophobicContact CB-CB 4.32Å |
| 211 | H | 97.3 | Very high | 96.8 | Very high | 99 Ų | 99 | 62 Ų | 62 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 164.5 | 173.4 | -69.8 | -82.3 | 0 | 0 | 0 | 111.9 | W185 G213 E214 | W185-H211 AromaticContact CH2-CE1 3.55Å; W185-H211 AromaticContact CH2-ND1 3.93Å; W185-H211 AromaticContact CZ2-CE1 3.46Å; W185-H211 VanDerWaalsContact CZ2-CE1 3.46Å; W185-H211 WeakPolarHBondContact CZ2-CE1 3.04Å; W185-H211 AromaticContact CZ2-ND1 3.49Å; W185-H211 WeakPolarHBondContact CZ2-ND1 3.36Å; H211-G213 PolarHBondContact O-N 3.3Å; H211-E214 HydrophobicContact CB-CG 4.07Å; H211-E214 IonicContact CD2-OE1 2.82Å; H211-E214 PolarHBondContact N-OE2 2.78Å; H211-E214 WeakPolarHBondContact O-CB 3.36Å; H211-E214 PolarHBondContact O-N 2.76Å; H211-E214 VanDerWaalsContact O-N 3.1Å |
| 212 | D | 95.8 | Very high | 96.9 | Very high | 88 Ų | 88 | 58.5 Ų | 58.5 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.2 | 171.6 | -171.5 | 31.7 | 0 | 0 | 0 | 111.1 | K226 V227 | D212-K226 WeakPolarHBondContact OD1-CA 3.47Å; D212-V227 HydrophobicContact CB-CB 4.17Å; D212-V227 HydrophobicContact CB-CG2 3.83Å; D212-V227 PolarHBondContact OD1-N 3.28Å |
| 213 | G | 96.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -13.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H211 Q224 C225 | H211-G213 PolarHBondContact O-N 3.3Å; G213-Q224 WeakPolarHBondContact O-CG 3.11Å; G213-Q224 PolarHBondContact O-NE2 2.85Å; G213-C225 WeakPolarHBondContact CA-O 3.24Å; G213-C225 PolarHBondContact N-O 2.98Å |
| 214 | E | 98.1 | Very high | 96.9 | Very high | 79 Ų | 79 | 63.1 Ų | 63.1 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | trans | -70.5 | 147.7 | 178.5 | -69.3 | -172.1 | 155.9 | 0 | 0 | 112.1 | L210 H211 Q224 C225 | L210-E214 WeakPolarHBondContact CA-OE2 3.36Å; L210-E214 HydrophobicContact CB-CB 4.21Å; H211-E214 HydrophobicContact CB-CG 4.07Å; H211-E214 IonicContact CD2-OE1 2.82Å; H211-E214 PolarHBondContact N-OE2 2.78Å; H211-E214 WeakPolarHBondContact O-CB 3.36Å; H211-E214 PolarHBondContact O-N 2.76Å; H211-E214 VanDerWaalsContact O-N 3.1Å; E214-Q224 WeakPolarHBondContact O-CA 3.36Å; E214-C225 PolarHBondContact O-N 3.05Å | ||
| 215 | K | 97.7 | Very high | 97 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 46% | 0.457 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 152.1 | -176.8 | -57.6 | -177.8 | -170.9 | 170.4 | 0 | 111.7 | L222 F223 Q224 V246 E259 | K215-L222 HydrophobicContact CB-CD1 3.96Å; K215-L222 HydrophobicContact CB-CG 4.49Å; K215-L222 HydrophobicContact CD-CD1 4.28Å; K215-L222 HydrophobicContact CD-CD2 3.93Å; K215-L222 HydrophobicContact CD-CG 4.19Å; K215-F223 CarbonylContact C-O 3.57Å; K215-F223 WeakPolarHBondContact CA-O 3.49Å; K215-Q224 HydrophobicContact CG-CB 4.44Å; K215-Q224 HydrophobicContact CG-CG 4.35Å; K215-V246 HydrophobicContact CD-CG2 4.43Å; K215-E259 IonicContact NZ-OE2 3.61Å |
| 216 | Y | 97.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 66.8 Ų | 66.8 | 12% | 0.122 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151.2 | 172.1 | 70.1 | -85.6 | 0 | 0 | 0 | 111 | V205 L210 K218 F223 H243 | V205-Y216 HydrophobicContact CB-CE2 4.47Å; V205-Y216 HydrophobicContact CG1-CD2 3.76Å; V205-Y216 HydrophobicContact CG1-CE2 3.66Å; V205-Y216 HydrophobicContact CG1-CG 4.35Å; V205-Y216 HydrophobicContact CG2-CD1 4.25Å; V205-Y216 HydrophobicContact CG2-CE1 3.85Å; V205-Y216 HydrophobicContact CG2-CE2 4.18Å; L210-Y216 HydrophobicContact CD1-CD1 3.38Å; L210-Y216 HydrophobicContact CD1-CE1 4.16Å; L210-Y216 HydrophobicContact CD1-CG 3.83Å; Y216-K218 HydrophobicContact CD2-CB 4.22Å; Y216-K218 HydrophobicContact CE2-CB 4Å; Y216-K218 HydrophobicContact CE2-CD 4.31Å; Y216-F223 HydrophobicContact CD1-CB 3.83Å; Y216-F223 HydrophobicContact CD2-CB 4.2Å; Y216-F223 HydrophobicContact CD2-CD2 4.47Å; Y216-F223 HydrophobicContact CE1-CB 3.35Å; Y216-F223 HydrophobicContact CE1-CG 4.26Å; Y216-F223 HydrophobicContact CE2-CB 3.74Å; Y216-F223 AromaticContact CE2-CD2 3.88Å; Y216-F223 HydrophobicContact CE2-CD2 3.88Å; Y216-F223 AromaticContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CG-CB 4.25Å; Y216-F223 AromaticContact CZ-CG 3.71Å; Y216-F223 PolarHBondContact N-O 3.31Å; Y216-F223 PolarHBondContact O-N 2.8Å; Y216-H243 AromaticContact CE1-ND1 3.68Å; Y216-H243 AromaticContact CZ-ND1 3.71Å; Y216-H243 PolarHBondContact OH-ND1 3.07Å |
| 217 | S | 96.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.1 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | F221 T249 | S217-F221 WeakPolarHBondContact CA-O 3.01Å; S217-T249 WeakPolarHBondContact OG-CB 3.36Å; S217-T249 WeakPolarHBondContact OG-CG2 3.44Å; S217-T249 PolarHBondContact OG-OG1 2.85Å |
| 218 | K | 96.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 130.7 | 172.9 | -168.5 | 161.7 | -170.9 | 146.9 | 0 | 110.1 | D206 Y216 G220 F221 F223 | D206-K218 IonicContact OD1-NZ 2.67Å; D206-K218 PolarHBondContact OD1-NZ 3.32Å; D206-K218 IonicContact OD2-NZ 2.83Å; D206-K218 PolarHBondContact OD2-NZ 3.35Å; Y216-K218 HydrophobicContact CD2-CB 4.22Å; Y216-K218 HydrophobicContact CE2-CB 4Å; Y216-K218 HydrophobicContact CE2-CD 4.31Å; K218-G220 VanDerWaalsContact C-N 3.25Å; K218-G220 PolarHBondContact O-N 2.76Å; K218-F221 PolarHBondContact N-O 3.35Å; K218-F221 PolarHBondContact O-N 3.42Å; K218-F223 HydrophobicContact CB-CD2 4.09Å; K218-F223 HydrophobicContact CB-CE2 3.93Å |
| 219 | N | 95.6 | Very high | 96 | Very high | 123 Ų | 123 | 59.2 Ų | 59.2 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38 | 177.7 | -57.1 | -24.5 | 0 | 0 | 0 | 114.3 | F221 | N219-F221 VanDerWaalsContact C-N 3.28Å; N219-F221 WeakPolarHBondContact O-CD2 3.47Å; N219-F221 PolarHBondContact O-N 3.18Å |
| 220 | G | 96 | Very high | 95.3 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 9.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K218 T249 K290 | K218-G220 VanDerWaalsContact C-N 3.25Å; K218-G220 PolarHBondContact O-N 2.76Å; G220-T249 VanDerWaalsContact CA-OG1 3.32Å; G220-T249 WeakPolarHBondContact CA-OG1 3.45Å; G220-T249 PolarHBondContact O-N 3.45Å; G220-T249 PolarHBondContact O-OG1 2.78Å; G220-K290 WeakPolarHBondContact O-CE 3.36Å |
| 221 | F | 97.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 70.3 Ų | 70.3 | 16% | 0.158 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.2 | 176.2 | -62.6 | -76.5 | 0 | 0 | 0 | 111.3 | S217 K218 N219 F223 I245 T249 I288 | S217-F221 WeakPolarHBondContact CA-O 3.01Å; K218-F221 PolarHBondContact N-O 3.35Å; K218-F221 PolarHBondContact O-N 3.42Å; N219-F221 VanDerWaalsContact C-N 3.28Å; N219-F221 WeakPolarHBondContact O-CD2 3.47Å; N219-F221 PolarHBondContact O-N 3.18Å; F221-F223 HydrophobicContact CB-CD2 4.32Å; F221-F223 HydrophobicContact CB-CE2 3.72Å; F221-F223 HydrophobicContact CB-CZ 4.26Å; F221-I245 HydrophobicContact CB-CG2 4.16Å; F221-I245 HydrophobicContact CD1-CG2 4.27Å; F221-T249 PolarHBondContact N-OG1 3.03Å; F221-I288 HydrophobicContact CD1-CG2 4.2Å; F221-I288 HydrophobicContact CE1-CG2 4.27Å; F221-I288 WeakPolarHBondContact CE1-O 3.42Å |
| 222 | L | 97.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.8 | 174.9 | -172.1 | 61.9 | 0 | 0 | 0 | 108.6 | K215 I245 V246 G247 T249 E259 | K215-L222 HydrophobicContact CB-CD1 3.96Å; K215-L222 HydrophobicContact CB-CG 4.49Å; K215-L222 HydrophobicContact CD-CD1 4.28Å; K215-L222 HydrophobicContact CD-CD2 3.93Å; K215-L222 HydrophobicContact CD-CG 4.19Å; L222-I245 CarbonylContact O-C 3.51Å; L222-V246 HydrophobicContact CB-CG2 4.29Å; L222-V246 HydrophobicContact CD2-CG2 4.03Å; L222-V246 HydrophobicContact CG-CG2 3.81Å; L222-V246 WeakPolarHBondContact O-CG2 3.39Å; L222-V246 PolarHBondContact O-N 2.98Å; L222-G247 PolarHBondContact N-O 2.84Å; L222-G247 PolarHBondContact O-N 2.02Å; L222-T249 HydrophobicContact CB-CG2 3.79Å; L222-T249 HydrophobicContact CD1-CG2 4.02Å; L222-T249 HydrophobicContact CG-CG2 4.45Å; L222-E259 HydrophobicContact CD1-CG 3.83Å; L222-E259 HydrophobicContact CD2-CB 3.95Å; L222-E259 HydrophobicContact CD2-CG 3.87Å; L222-E259 WeakPolarHBondContact CD2-OE2 3.07Å; L222-E259 HydrophobicContact CG-CG 4.45Å |
| 223 | F | 97.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 149.3 | 175.5 | -67.1 | -96.8 | 0 | 0 | 0 | 110.1 | K215 Y216 K218 F221 H243 T244 I245 | K215-F223 CarbonylContact C-O 3.57Å; K215-F223 WeakPolarHBondContact CA-O 3.49Å; Y216-F223 HydrophobicContact CD1-CB 3.83Å; Y216-F223 HydrophobicContact CD2-CB 4.2Å; Y216-F223 HydrophobicContact CD2-CD2 4.47Å; Y216-F223 HydrophobicContact CE1-CB 3.35Å; Y216-F223 HydrophobicContact CE1-CG 4.26Å; Y216-F223 HydrophobicContact CE2-CB 3.74Å; Y216-F223 AromaticContact CE2-CD2 3.88Å; Y216-F223 HydrophobicContact CE2-CD2 3.88Å; Y216-F223 AromaticContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CG-CB 4.25Å; Y216-F223 AromaticContact CZ-CG 3.71Å; Y216-F223 PolarHBondContact N-O 3.31Å; Y216-F223 PolarHBondContact O-N 2.8Å; K218-F223 HydrophobicContact CB-CD2 4.09Å; K218-F223 HydrophobicContact CB-CE2 3.93Å; F221-F223 HydrophobicContact CB-CD2 4.32Å; F221-F223 HydrophobicContact CB-CE2 3.72Å; F221-F223 HydrophobicContact CB-CZ 4.26Å; F223-H243 HydrophobicContact CD1-CB 4.09Å; F223-T244 CarbonylContact C-O 3.52Å; F223-T244 WeakPolarHBondContact CA-O 3.49Å; F223-I245 HydrophobicContact CD1-CG1 3.7Å; F223-I245 HydrophobicContact CE1-CD1 4Å; F223-I245 HydrophobicContact CE1-CG1 3.29Å; F223-I245 HydrophobicContact CZ-CD1 4.19Å; F223-I245 HydrophobicContact CZ-CG1 3.79Å |
| 224 | Q | 97.6 | Very high | 89.5 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.3 | 169.3 | -171 | 172.9 | 29.1 | 0 | 0 | 109.2 | G213 E214 K215 K226 T244 V246 | G213-Q224 WeakPolarHBondContact O-CG 3.11Å; G213-Q224 PolarHBondContact O-NE2 2.85Å; E214-Q224 WeakPolarHBondContact O-CA 3.36Å; K215-Q224 HydrophobicContact CG-CB 4.44Å; K215-Q224 HydrophobicContact CG-CG 4.35Å; Q224-K226 PolarHBondContact O-N 2.8Å; Q224-T244 PolarHBondContact N-O 3.31Å; Q224-T244 PolarHBondContact O-N 2.86Å; Q224-V246 HydrophobicContact CB-CB 4.42Å; Q224-V246 HydrophobicContact CB-CG1 3.57Å; Q224-V246 HydrophobicContact CB-CG2 3.95Å |
| 225 | C | 97.8 | Very high | 88 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124.1 | 169 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | C203 L210 G213 E214 | C203-C225 HydrophobicContact CB-CB 3.85Å; C203-C225 WeakPolarHBondContact CB-SG 3.47Å; C203-C225 PolarHBondContact N-SG 2.86Å; C203-C225 WeakPolarHBondContact SG-CA 3.4Å; C203-C225 WeakPolarHBondContact SG-CB 3.49Å; C203-C225 CovalentContact SG-SG 2.03Å; C203-C225 PolarHBondContact SG-SG 2.83Å; L210-C225 HydrophobicContact CB-CB 4.32Å; G213-C225 WeakPolarHBondContact CA-O 3.24Å; G213-C225 PolarHBondContact N-O 2.98Å; E214-C225 PolarHBondContact O-N 3.05Å |
| 226 | K | 95.9 | Very high | 86.1 | Confident | 106 Ų | 106 | 79.9 Ų | 79.9 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 117 | 177.3 | -170.8 | 174.5 | -176.8 | 177.6 | 0 | 110.9 | D212 Q224 V228 V241 Q242 | D212-K226 WeakPolarHBondContact OD1-CA 3.47Å; Q224-K226 PolarHBondContact O-N 2.8Å; K226-V228 HydrophobicContact CD-CG2 4.48Å; K226-V228 HydrophobicContact CG-CG2 4.28Å; K226-V228 PolarHBondContact O-N 3.23Å; K226-V241 CarbonylContact O-C 3.53Å; K226-V241 WeakPolarHBondContact O-CA 3.34Å; K226-Q242 PolarHBondContact N-O 2.88Å; K226-Q242 PolarHBondContact O-N 2.85Å |
| 227 | V | 93.1 | Very high | 84.2 | Confident | 12 Ų | 12 | 83.5 Ų | 83.5 | 7% | 0.073 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 101.4 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | L200 D212 R229 V241 | L200-V227 HydrophobicContact CD2-CG1 3.87Å; L200-V227 HydrophobicContact CG-CG1 4.14Å; D212-V227 HydrophobicContact CB-CB 4.17Å; D212-V227 HydrophobicContact CB-CG2 3.83Å; D212-V227 PolarHBondContact OD1-N 3.28Å; V227-R229 HydrophobicContact CG1-CG 4.32Å; V227-R229 PolarHBondContact O-N 2.95Å; V227-V241 HydrophobicContact CG2-CG2 4.4Å |
| 228 | V | 90.3 | Very high | 82.8 | Confident | 42 Ų | 42 | 84.6 Ų | 84.6 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 98.1 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | K226 R230 A239 S240 Q242 | K226-V228 HydrophobicContact CD-CG2 4.48Å; K226-V228 HydrophobicContact CG-CG2 4.28Å; K226-V228 PolarHBondContact O-N 3.23Å; V228-R230 PolarHBondContact O-N 3.23Å; V228-A239 WeakPolarHBondContact O-CA 3.49Å; V228-S240 WeakPolarHBondContact CA-O 3.37Å; V228-S240 WeakPolarHBondContact CB-O 3.48Å; V228-S240 PolarHBondContact N-O 3.15Å; V228-S240 PolarHBondContact O-N 3.36Å; V228-Q242 HydrophobicContact CG2-CG 4.17Å |
| 229 | R | 86.7 | Confident | 81.7 | Confident | 168 Ų | 168 | 83.8 Ų | 83.8 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.4 | 167 | -62.4 | -177.6 | -174.7 | 159.8 | 4.4 | 107.6 | V227 N231 | V227-R229 HydrophobicContact CG1-CG 4.32Å; V227-R229 PolarHBondContact O-N 2.95Å; R229-N231 PolarHBondContact O-N 3.29Å |
| 230 | R | 82.3 | Confident | 81.1 | Confident | 149 Ų | 149 | 79.6 Ų | 79.6 | 56% | 0.562 | 42% | 0.415 | S | S | * | . | trans | -70.1 | 121.7 | 166.2 | -61.5 | -170.6 | -152.6 | -178 | 6.8 | 106.4 | V228 C232 | V228-R230 PolarHBondContact O-N 3.23Å; R230-C232 PolarHBondContact O-N 3.28Å | ||
| 231 | N | 69.8 | Low | 80.5 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 91% | 0.909 | 41% | 0.409 | S | S | * | . | trans | -67.4 | 74.5 | 166.3 | -72.3 | -6.2 | 0 | 0 | 0 | 107.7 | R229 | R229-N231 PolarHBondContact O-N 3.29Š| ||
| 232 | C | 70.4 | Confident | 80.1 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 30% | 0.297 | 42% | 0.424 | S | S | . | . | trans | -108.8 | 117.2 | 162.5 | 60.5 | 0 | 0 | 0 | 0 | 106.9 | R230 N234 C235 | R230-C232 PolarHBondContact O-N 3.28Å; C232-N234 PolarHBondContact O-N 2.83Å; C232-C235 HydrophobicContact CB-CB 4.26Å; C232-C235 WeakPolarHBondContact CB-SG 3.44Å; C232-C235 PolarHBondContact O-N 2.9Å; C232-C235 WeakPolarHBondContact SG-CB 3.14Å; C232-C235 CovalentContact SG-SG 2.02Å; C232-C235 PolarHBondContact SG-SG 2.79Å | ||
| 233 | E | 65.9 | Low | 79.9 | Confident | 192 Ų | 192 | 84.6 Ų | 84.6 | 90% | 0.897 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -8.9 | -174.8 | -152 | 166.3 | -178.4 | 0 | 0 | 112.6 | ||
| 234 | N | 61.1 | Low | 79.8 | Confident | 155 Ų | 155 | 85.2 Ų | 85.2 | 83% | 0.829 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.4 | 27 | -177.1 | -73.4 | -47.9 | 0 | 0 | 0 | 114.5 | C232 | C232-N234 PolarHBondContact O-N 2.83Š|
| 235 | C | 65.6 | Low | 79.7 | Confident | 48 Ų | 48 | 84.6 Ų | 84.6 | 32% | 0.324 | 44% | 0.439 | S | S | . | . | trans | -117.3 | 100.4 | 167.4 | -3.4 | 0 | 0 | 0 | 0 | 112.3 | C232 S237 L238 | C232-C235 HydrophobicContact CB-CB 4.26Å; C232-C235 WeakPolarHBondContact CB-SG 3.44Å; C232-C235 PolarHBondContact O-N 2.9Å; C232-C235 WeakPolarHBondContact SG-CB 3.14Å; C232-C235 CovalentContact SG-SG 2.02Å; C232-C235 PolarHBondContact SG-SG 2.79Å; C235-S237 PolarHBondContact O-N 2.78Å; C235-L238 HydrophobicContact CB-CB 4.17Å; C235-L238 HydrophobicContact CB-CD1 3.75Å; C235-L238 HydrophobicContact CB-CG 4.24Å | ||
| 236 | D | 57.4 | Low | 79.7 | Confident | 166 Ų | 166 | 86.3 Ų | 86.3 | 89% | 0.888 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 8.1 | 174.1 | -67.9 | -29.2 | 0 | 0 | 0 | 114.4 | ||
| 237 | S | 58.8 | Low | 79.8 | Confident | 107 Ų | 107 | 81.3 Ų | 81.3 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.2 | 7.9 | -165.7 | 4.6 | 0 | 0 | 0 | 0 | 116.8 | C235 | C235-S237 PolarHBondContact O-N 2.78Š|
| 238 | L | 65.5 | Low | 80 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 41% | 0.408 | 42% | 0.424 | S | S | . | . | trans | -107.8 | 22.9 | -173.6 | -80.5 | 165.1 | 0 | 0 | 0 | 114.9 | C235 S240 | C235-L238 HydrophobicContact CB-CB 4.17Å; C235-L238 HydrophobicContact CB-CD1 3.75Å; C235-L238 HydrophobicContact CB-CG 4.24Å; L238-S240 PolarHBondContact O-N 2.04Å | ||
| 239 | A | 74.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 79 Ų | 79 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 117.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108 | L200 V228 | L200-A239 HydrophobicContact CB-CB 4.31Å; L200-A239 HydrophobicContact CD2-CB 3.59Å; L200-A239 WeakPolarHBondContact CD2-O 3.35Å; V228-A239 WeakPolarHBondContact O-CA 3.49Å |
| 240 | S | 82 | Confident | 80.9 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.2 | 176.8 | 57.9 | 0 | 0 | 0 | 0 | 109.1 | V228 L238 | V228-S240 WeakPolarHBondContact CA-O 3.37Å; V228-S240 WeakPolarHBondContact CB-O 3.48Å; V228-S240 PolarHBondContact N-O 3.15Å; V228-S240 PolarHBondContact O-N 3.36Å; L238-S240 PolarHBondContact O-N 2.04Å |
| 241 | V | 83.1 | Confident | 81.5 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 141.9 | 171.4 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | F184 L200 C203 K226 V227 | F184-V241 HydrophobicContact CB-CG2 4.36Å; F184-V241 HydrophobicContact CD1-CB 3.32Å; F184-V241 HydrophobicContact CD1-CG1 3.66Å; F184-V241 HydrophobicContact CD1-CG2 3.35Å; F184-V241 HydrophobicContact CE1-CB 3.28Å; F184-V241 HydrophobicContact CE1-CG1 3.65Å; F184-V241 HydrophobicContact CE1-CG2 3.87Å; F184-V241 HydrophobicContact CG-CB 4.2Å; F184-V241 HydrophobicContact CG-CG2 3.84Å; F184-V241 HydrophobicContact CZ-CB 4.02Å; L200-V241 HydrophobicContact CD1-CG2 3.66Å; L200-V241 HydrophobicContact CD2-CG2 3.53Å; L200-V241 HydrophobicContact CG-CG2 3.95Å; C203-V241 HydrophobicContact CB-CG1 4.45Å; C203-V241 WeakPolarHBondContact SG-CG1 3.26Å; K226-V241 CarbonylContact O-C 3.53Å; K226-V241 WeakPolarHBondContact O-CA 3.34Å; V227-V241 HydrophobicContact CG2-CG2 4.4Å |
| 242 | Q | 89.8 | Confident | 82.6 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.3 | 172 | -66 | -179.2 | -13.9 | 0 | 0 | 109.2 | K226 V228 T244 | K226-Q242 PolarHBondContact N-O 2.88Å; K226-Q242 PolarHBondContact O-N 2.85Å; V228-Q242 HydrophobicContact CG2-CG 4.17Å; Q242-T244 PolarHBondContact O-N 3.46Å |
| 243 | H | 93.6 | Very high | 83.6 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 100.1 | 165.7 | -58.7 | -79.5 | 0 | 0 | 0 | 107.8 | Q183 Y216 F223 | Q183-H243 PolarHBondContact OE1-NE2 2.88Å; Y216-H243 AromaticContact CE1-ND1 3.68Å; Y216-H243 AromaticContact CZ-ND1 3.71Å; Y216-H243 PolarHBondContact OH-ND1 3.07Å; F223-H243 HydrophobicContact CD1-CB 4.09Å |
| 244 | T | 94.3 | Very high | 85 | Confident | 49 Ų | 49 | 62 Ų | 62 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.8 | -177.3 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | F223 Q224 Q242 V246 | F223-T244 CarbonylContact C-O 3.52Å; F223-T244 WeakPolarHBondContact CA-O 3.49Å; Q224-T244 PolarHBondContact N-O 3.31Å; Q224-T244 PolarHBondContact O-N 2.86Å; Q242-T244 PolarHBondContact O-N 3.46Å; T244-V246 HydrophobicContact CG2-CG1 4.31Å; T244-V246 PolarHBondContact O-N 2.76Å |
| 245 | I | 96 | Very high | 86.6 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.3 | 171.3 | -54.6 | 167.8 | 0 | 0 | 0 | 108 | F221 L222 F223 I288 | F221-I245 HydrophobicContact CB-CG2 4.16Å; F221-I245 HydrophobicContact CD1-CG2 4.27Å; L222-I245 CarbonylContact O-C 3.51Å; F223-I245 HydrophobicContact CD1-CG1 3.7Å; F223-I245 HydrophobicContact CE1-CD1 4Å; F223-I245 HydrophobicContact CE1-CG1 3.29Å; F223-I245 HydrophobicContact CZ-CD1 4.19Å; F223-I245 HydrophobicContact CZ-CG1 3.79Å; I245-I288 HydrophobicContact CB-CD1 3.8Å; I245-I288 HydrophobicContact CG2-CB 3.83Å; I245-I288 HydrophobicContact CG2-CD1 3.54Å; I245-I288 HydrophobicContact CG2-CG1 4.23Å; I245-I288 HydrophobicContact CG2-CG2 4.03Å; I245-I288 WeakPolarHBondContact O-CD1 3.37Å |
| 246 | V | 97.1 | Very high | 88 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -6.2 | -176.8 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | K215 L222 Q224 T244 | K215-V246 HydrophobicContact CD-CG2 4.43Å; L222-V246 HydrophobicContact CB-CG2 4.29Å; L222-V246 HydrophobicContact CD2-CG2 4.03Å; L222-V246 HydrophobicContact CG-CG2 3.81Å; L222-V246 WeakPolarHBondContact O-CG2 3.39Å; L222-V246 PolarHBondContact O-N 2.98Å; Q224-V246 HydrophobicContact CB-CB 4.42Å; Q224-V246 HydrophobicContact CB-CG1 3.57Å; Q224-V246 HydrophobicContact CB-CG2 3.95Å; T244-V246 HydrophobicContact CG2-CG1 4.31Å; T244-V246 PolarHBondContact O-N 2.76Å |
| 247 | G | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | -166.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L222 Y260 C281 | L222-G247 PolarHBondContact N-O 2.84Å; L222-G247 PolarHBondContact O-N 2.02Å; G247-Y260 CarbonylContact C-O 3.47Å; G247-Y260 VanDerWaalsContact CA-O 3.24Å; G247-Y260 WeakPolarHBondContact CA-O 3.19Å; G247-C281 VanDerWaalsContact C-SG 3.6Å |
| 248 | C | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 157.4 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | Y260 W266 C281 K290 | C248-Y260 PolarHBondContact N-O 3.37Å; C248-Y260 PolarHBondContact O-N 2.84Å; C248-W266 HydrophobicContact CB-CH2 3.63Å; C248-W266 HydrophobicContact CB-CZ2 4.28Å; C248-W266 HydrophobicContact CB-CZ3 4.4Å; C248-C281 HydrophobicContact CB-CB 3.7Å; C248-C281 WeakPolarHBondContact CB-SG 3.48Å; C248-C281 PolarHBondContact N-SG 2.93Å; C248-C281 VanDerWaalsContact SG-CA 3.56Å; C248-C281 WeakPolarHBondContact SG-CB 3.45Å; C248-C281 CovalentContact SG-SG 2.05Å; C248-C281 PolarHBondContact SG-SG 2.75Å; C248-K290 HydrophobicContact CB-CG 4.08Å |
| 249 | T | 97.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.4 | 174.9 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | S217 G220 F221 L222 M258 E259 K290 | S217-T249 WeakPolarHBondContact OG-CB 3.36Å; S217-T249 WeakPolarHBondContact OG-CG2 3.44Å; S217-T249 PolarHBondContact OG-OG1 2.85Å; G220-T249 VanDerWaalsContact CA-OG1 3.32Å; G220-T249 WeakPolarHBondContact CA-OG1 3.45Å; G220-T249 PolarHBondContact O-N 3.45Å; G220-T249 PolarHBondContact O-OG1 2.78Å; F221-T249 PolarHBondContact N-OG1 3.03Å; L222-T249 HydrophobicContact CB-CG2 3.79Å; L222-T249 HydrophobicContact CD1-CG2 4.02Å; L222-T249 HydrophobicContact CG-CG2 4.45Å; T249-M258 CarbonylContact C-O 3.48Å; T249-M258 WeakPolarHBondContact CA-O 3.25Å; T249-E259 HydrophobicContact CG2-CG 4.33Å; T249-K290 WeakPolarHBondContact O-CE 3.41Å; T249-K290 PolarHBondContact O-NZ 2.66Å |
| 250 | S | 97 | Very high | 94.2 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 173.5 | 171.3 | -161.9 | 0 | 0 | 0 | 0 | 110 | S257 M258 E268 | S250-S257 CarbonylContact O-C 3.53Å; S250-S257 WeakPolarHBondContact O-CA 3.45Å; S250-M258 PolarHBondContact N-O 2.86Å; S250-M258 PolarHBondContact O-N 3Å; S250-E268 VanDerWaalsContact CB-OE1 3.26Å; S250-E268 WeakPolarHBondContact CB-OE1 3Å; S250-E268 WeakPolarHBondContact OG-CG 3.41Å; S250-E268 PolarHBondContact OG-OE1 2.84Å |
| 251 | T | 95.8 | Very high | 95 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.5 | 175.5 | -56 | 0 | 0 | 0 | 0 | 108.1 | G255 N256 | T251-G255 VanDerWaalsContact CG2-C 3.49Å; T251-G255 VanDerWaalsContact CG2-CA 3.44Å; T251-N256 WeakPolarHBondContact CA-O 3.21Å |
| 252 | D | 93.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | trans | -72.1 | 177.1 | 174.9 | 73 | 9.6 | 0 | 0 | 0 | 111.6 | A254 G255 N256 M258 | D252-A254 PolarHBondContact O-N 3.13Å; D252-A254 VanDerWaalsContact O-N 3.13Å; D252-A254 WeakPolarHBondContact OD1-CA 3.26Å; D252-A254 WeakPolarHBondContact OD1-CB 3.16Å; D252-A254 PolarHBondContact OD1-N 2.82Å; D252-G255 PolarHBondContact O-N 3.15Å; D252-G255 VanDerWaalsContact O-N 3.09Å; D252-G255 PolarHBondContact OD1-N 3.47Å; D252-N256 PolarHBondContact N-O 3.49Å; D252-N256 PolarHBondContact OD1-N 3.07Å; D252-N256 PolarHBondContact OD1-ND2 2.72Å; D252-N256 WeakPolarHBondContact OD2-CB 3.49Å; D252-N256 PolarHBondContact OD2-ND2 2.82Å; D252-M258 HydrophobicContact CB-CG 4.04Å | ||
| 253 | A | 91.7 | Very high | 96 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 99% | 0.992 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 254 | A | 94.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | D252 | D252-A254 PolarHBondContact O-N 3.13Å; D252-A254 VanDerWaalsContact O-N 3.13Å; D252-A254 WeakPolarHBondContact OD1-CA 3.26Å; D252-A254 WeakPolarHBondContact OD1-CB 3.16Å; D252-A254 PolarHBondContact OD1-N 2.82Å |
| 255 | G | 94 | Very high | 96.4 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 88.5 | 3.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | T251 D252 | T251-G255 VanDerWaalsContact CG2-C 3.49Å; T251-G255 VanDerWaalsContact CG2-CA 3.44Å; D252-G255 PolarHBondContact O-N 3.15Å; D252-G255 VanDerWaalsContact O-N 3.09Å; D252-G255 PolarHBondContact OD1-N 3.47Å |
| 256 | N | 94.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 140.1 | 179 | -51 | -61.4 | 0 | 0 | 0 | 110.8 | T251 D252 M258 | T251-N256 WeakPolarHBondContact CA-O 3.21Å; D252-N256 PolarHBondContact N-O 3.49Å; D252-N256 PolarHBondContact OD1-N 3.07Å; D252-N256 PolarHBondContact OD1-ND2 2.72Å; D252-N256 WeakPolarHBondContact OD2-CB 3.49Å; D252-N256 PolarHBondContact OD2-ND2 2.82Å; N256-M258 PolarHBondContact O-N 2.89Å |
| 257 | S | 94.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118.1 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | S250 | S250-S257 CarbonylContact O-C 3.53Å; S250-S257 WeakPolarHBondContact O-CA 3.45Å |
| 258 | M | 97.2 | Very high | 96.3 | Very high | 66 Ų | 66 | 53 Ų | 53 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.4 | 174.1 | -63.4 | -61.8 | -73.5 | 0 | 0 | 110.3 | T249 S250 D252 N256 Y260 | T249-M258 CarbonylContact C-O 3.48Å; T249-M258 WeakPolarHBondContact CA-O 3.25Å; S250-M258 PolarHBondContact N-O 2.86Å; S250-M258 PolarHBondContact O-N 3Å; D252-M258 HydrophobicContact CB-CG 4.04Å; N256-M258 PolarHBondContact O-N 2.89Å; M258-Y260 HydrophobicContact CB-CE2 3.7Å |
| 259 | E | 97.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.8 | -179.1 | -68.9 | -176.9 | -171.4 | 0 | 0 | 111.9 | K215 L222 T249 Q370 | K215-E259 IonicContact NZ-OE2 3.61Å; L222-E259 HydrophobicContact CD1-CG 3.83Å; L222-E259 HydrophobicContact CD2-CB 3.95Å; L222-E259 HydrophobicContact CD2-CG 3.87Å; L222-E259 WeakPolarHBondContact CD2-OE2 3.07Å; L222-E259 HydrophobicContact CG-CG 4.45Å; T249-E259 HydrophobicContact CG2-CG 4.33Å; E259-Q370 VanDerWaalsContact CB-NE2 3.35Å; E259-Q370 PolarHBondContact O-NE2 2.85Å |
| 260 | Y | 98 | Very high | 95.9 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 14% | 0.137 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.9 | -179.8 | -61.1 | -77 | 0 | 0 | 0 | 110.2 | G247 C248 M258 A264 W266 | G247-Y260 CarbonylContact C-O 3.47Å; G247-Y260 VanDerWaalsContact CA-O 3.24Å; G247-Y260 WeakPolarHBondContact CA-O 3.19Å; C248-Y260 PolarHBondContact N-O 3.37Å; C248-Y260 PolarHBondContact O-N 2.84Å; M258-Y260 HydrophobicContact CB-CE2 3.7Å; Y260-A264 HydrophobicContact CD1-CB 4.37Å; Y260-W266 HydrophobicContact CD1-CB 3.92Å; Y260-W266 AromaticContact CD1-CD2 3.83Å; Y260-W266 HydrophobicContact CD1-CD2 3.83Å; Y260-W266 AromaticContact CD1-CE3 3.62Å; Y260-W266 HydrophobicContact CD1-CE3 3.62Å; Y260-W266 AromaticContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CZ3 4.41Å; Y260-W266 AromaticContact CD2-CD2 3.66Å; Y260-W266 HydrophobicContact CD2-CD2 3.66Å; Y260-W266 AromaticContact CD2-CE2 3.79Å; Y260-W266 AromaticContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CG 4.11Å; Y260-W266 HydrophobicContact CD2-CH2 4.34Å; Y260-W266 HydrophobicContact CD2-CZ2 4.14Å; Y260-W266 HydrophobicContact CD2-CZ3 4.2Å; Y260-W266 HydrophobicContact CE1-CB 3.32Å; Y260-W266 AromaticContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CE3 4.19Å; Y260-W266 AromaticContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE2-CB 4.34Å; Y260-W266 AromaticContact CE2-CD1 3.78Å; Y260-W266 AromaticContact CE2-CD2 3.77Å; Y260-W266 HydrophobicContact CE2-CD2 3.77Å; Y260-W266 AromaticContact CE2-CE2 3.9Å; Y260-W266 HydrophobicContact CE2-CE3 4.39Å; Y260-W266 AromaticContact CE2-CG 3.73Å; Y260-W266 HydrophobicContact CE2-CG 3.73Å; Y260-W266 AromaticContact CE2-NE1 3.88Å; Y260-W266 AromaticContact CG-CD2 3.68Å; Y260-W266 HydrophobicContact CG-CD2 3.68Å; Y260-W266 AromaticContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CE3 3.43Å; Y260-W266 VanDerWaalsContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CG 4.22Å; Y260-W266 HydrophobicContact CG-CH2 4.38Å; Y260-W266 AromaticContact CG-CZ3 3.82Å; Y260-W266 HydrophobicContact CG-CZ3 3.82Å; Y260-W266 AromaticContact CZ-CD1 3.7Å; Y260-W266 AromaticContact CZ-CD2 3.9Å; Y260-W266 AromaticContact CZ-CG 3.42Å; Y260-W266 VanDerWaalsContact CZ-CG 3.42Å |
| 261 | P | 97.7 | Very high | 95.7 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 162.9 | 174.2 | 29 | -33.8 | 0 | 0 | 0 | 110.6 | G263 A264 | P261-G263 PolarHBondContact O-N 3.34Å; P261-A264 HydrophobicContact CG-CB 4.01Å; P261-A264 WeakPolarHBondContact O-CB 3.5Å; P261-A264 PolarHBondContact O-N 2.95Å |
| 262 | I | 97.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 131.6 | 175.2 | -57.3 | 168.1 | 0 | 0 | 0 | 109.5 | A264 R283 I288 | I262-A264 VanDerWaalsContact C-N 3.34Å; I262-R283 HydrophobicContact CG2-CB 3.92Å; I262-I288 HydrophobicContact CD1-CD1 3.38Å; I262-I288 HydrophobicContact CD1-CG1 4.17Å; I262-I288 HydrophobicContact CG1-CD1 3.88Å; I262-I288 HydrophobicContact CG1-CG1 4.48Å |
| 263 | G | 97.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 66.3 Ų | 66.3 | 45% | 0.454 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -9.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P261 C281 | P261-G263 PolarHBondContact O-N 3.34Å; G263-C281 PolarHBondContact N-O 2.76Å |
| 264 | A | 97.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 11% | 0.107 | 38% | 0.381 | C | S | . | . | trans | -70.7 | 147.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y260 P261 I262 W266 E280 C281 | Y260-A264 HydrophobicContact CD1-CB 4.37Å; P261-A264 HydrophobicContact CG-CB 4.01Å; P261-A264 WeakPolarHBondContact O-CB 3.5Å; P261-A264 PolarHBondContact O-N 2.95Å; I262-A264 VanDerWaalsContact C-N 3.34Å; A264-W266 WeakPolarHBondContact O-CZ3 3.41Å; A264-E280 WeakPolarHBondContact O-CA 3.06Å; A264-C281 PolarHBondContact O-N 3.4Å | ||
| 265 | R | 97.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.8 | 175.3 | -65.4 | 175.4 | 178.5 | -154.3 | -15.4 | 110 | V278 I279 E280 | R265-V278 HydrophobicContact CB-CG1 4.48Å; R265-I279 CarbonylContact C-O 3.56Å; R265-I279 WeakPolarHBondContact CA-O 3.25Å; R265-E280 HydrophobicContact CG-CB 4.01Å; R265-E280 HydrophobicContact CG-CG 3.75Å; R265-E280 IonicContact CZ-OE1 3.01Å; R265-E280 IonicContact CZ-OE2 2.66Å; R265-E280 IonicContact NE-OE1 2.76Å; R265-E280 PolarHBondContact NE-OE1 2.95Å; R265-E280 IonicContact NE-OE2 3.77Å; R265-E280 IonicContact NH2-OE1 3.26Å; R265-E280 PolarHBondContact NH2-OE1 2.66Å; R265-E280 VanDerWaalsContact NH2-OE1 3.09Å; R265-E280 IonicContact NH2-OE2 3.21Å; R265-E280 PolarHBondContact NH2-OE2 3.1Å |
| 266 | W | 97.1 | Very high | 96 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 171.3 | 176.6 | 67.5 | 100.5 | 0 | 0 | 0 | 111 | C248 Y260 A264 E268 V278 I279 C281 K290 | C248-W266 HydrophobicContact CB-CH2 3.63Å; C248-W266 HydrophobicContact CB-CZ2 4.28Å; C248-W266 HydrophobicContact CB-CZ3 4.4Å; Y260-W266 HydrophobicContact CD1-CB 3.92Å; Y260-W266 AromaticContact CD1-CD2 3.83Å; Y260-W266 HydrophobicContact CD1-CD2 3.83Å; Y260-W266 AromaticContact CD1-CE3 3.62Å; Y260-W266 HydrophobicContact CD1-CE3 3.62Å; Y260-W266 AromaticContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CZ3 4.41Å; Y260-W266 AromaticContact CD2-CD2 3.66Å; Y260-W266 HydrophobicContact CD2-CD2 3.66Å; Y260-W266 AromaticContact CD2-CE2 3.79Å; Y260-W266 AromaticContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CG 4.11Å; Y260-W266 HydrophobicContact CD2-CH2 4.34Å; Y260-W266 HydrophobicContact CD2-CZ2 4.14Å; Y260-W266 HydrophobicContact CD2-CZ3 4.2Å; Y260-W266 HydrophobicContact CE1-CB 3.32Å; Y260-W266 AromaticContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CE3 4.19Å; Y260-W266 AromaticContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE2-CB 4.34Å; Y260-W266 AromaticContact CE2-CD1 3.78Å; Y260-W266 AromaticContact CE2-CD2 3.77Å; Y260-W266 HydrophobicContact CE2-CD2 3.77Å; Y260-W266 AromaticContact CE2-CE2 3.9Å; Y260-W266 HydrophobicContact CE2-CE3 4.39Å; Y260-W266 AromaticContact CE2-CG 3.73Å; Y260-W266 HydrophobicContact CE2-CG 3.73Å; Y260-W266 AromaticContact CE2-NE1 3.88Å; Y260-W266 AromaticContact CG-CD2 3.68Å; Y260-W266 HydrophobicContact CG-CD2 3.68Å; Y260-W266 AromaticContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CE3 3.43Å; Y260-W266 VanDerWaalsContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CG 4.22Å; Y260-W266 HydrophobicContact CG-CH2 4.38Å; Y260-W266 AromaticContact CG-CZ3 3.82Å; Y260-W266 HydrophobicContact CG-CZ3 3.82Å; Y260-W266 AromaticContact CZ-CD1 3.7Å; Y260-W266 AromaticContact CZ-CD2 3.9Å; Y260-W266 AromaticContact CZ-CG 3.42Å; Y260-W266 VanDerWaalsContact CZ-CG 3.42Å; A264-W266 WeakPolarHBondContact O-CZ3 3.41Å; W266-E268 PolarHBondContact NE1-OE1 2.91Å; W266-V278 CarbonylContact O-C 3.44Å; W266-V278 WeakPolarHBondContact O-CA 3.27Å; W266-I279 HydrophobicContact CD2-CB 4.31Å; W266-I279 HydrophobicContact CH2-CB 4.38Å; W266-I279 HydrophobicContact CH2-CG2 3.61Å; W266-I279 HydrophobicContact CZ2-CB 3.94Å; W266-I279 HydrophobicContact CZ2-CG2 3.37Å; W266-I279 HydrophobicContact CZ3-CG2 4.29Å; W266-I279 PolarHBondContact N-O 2.81Å; W266-I279 PolarHBondContact O-N 2.05Å; W266-C281 HydrophobicContact CH2-CB 3.91Å; W266-C281 HydrophobicContact CZ3-CB 3.71Å; W266-K290 HydrophobicContact CH2-CG 4.3Å; W266-K290 HydrophobicContact CZ2-CD 4.22Å; W266-K290 HydrophobicContact CZ2-CG 4.3Å |
| 267 | V | 95.8 | Very high | 96.1 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 42% | 0.418 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.1 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | K276 F277 V278 | V267-K276 HydrophobicContact CG1-CB 3.72Å; V267-K276 HydrophobicContact CG1-CD 4.16Å; V267-K276 HydrophobicContact CG1-CG 4.23Å; V267-F277 CarbonylContact C-O 3.46Å; V267-F277 VanDerWaalsContact CA-O 3.31Å; V267-F277 WeakPolarHBondContact CA-O 3.45Å; V267-V278 HydrophobicContact CG2-CG2 4.46Å |
| 268 | E | 95.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.4 | 169.2 | -73.5 | -176.6 | -168.6 | 0 | 0 | 110.3 | S250 W266 K276 F277 I279 K290 | S250-E268 VanDerWaalsContact CB-OE1 3.26Å; S250-E268 WeakPolarHBondContact CB-OE1 3Å; S250-E268 WeakPolarHBondContact OG-CG 3.41Å; S250-E268 PolarHBondContact OG-OE1 2.84Å; W266-E268 PolarHBondContact NE1-OE1 2.91Å; E268-K276 CarbonylContact O-C 3.5Å; E268-K276 WeakPolarHBondContact O-CA 3.43Å; E268-F277 PolarHBondContact N-O 3.41Å; E268-F277 PolarHBondContact O-N 3.16Å; E268-I279 HydrophobicContact CB-CD1 3.75Å; E268-I279 HydrophobicContact CG-CD1 3.61Å; E268-I279 WeakPolarHBondContact OE2-CD1 3.46Å; E268-K290 IonicContact OE1-NZ 3.55Å |
| 269 | Q | 94.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.2 | 175.8 | -171.1 | 60.8 | 53.1 | 0 | 0 | 109.5 | Q272 P273 F275 | Q269-Q272 PolarHBondContact NE2-O 2.8Å; Q269-P273 PolarHBondContact NE2-O 3.29Å; Q269-F275 PolarHBondContact NE2-O 3.12Å |
| 270 | G | 93.3 | Very high | 96.2 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | trans | -78.1 | -174.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q272 F275 | G270-Q272 PolarHBondContact O-N 3.15Å; G270-F275 WeakPolarHBondContact CA-O 3.28Å; G270-F275 PolarHBondContact N-O 2.83Å | ||
| 271 | T | 92.8 | Very high | 96.2 | Very high | 143 Ų | 143 | 48.7 Ų | 48.7 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -63.7 | -21.5 | 178.8 | 51 | 0 | 0 | 0 | 0 | 113.7 | ||
| 272 | Q | 94.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 47 Ų | 47 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -119 | 145.8 | 175.7 | -52.1 | -176.9 | 10.6 | 0 | 0 | 110.1 | Q269 G270 Q274 F275 | Q269-Q272 PolarHBondContact NE2-O 2.8Å; G270-Q272 PolarHBondContact O-N 3.15Å; Q272-Q274 HydrophobicContact CB-CG 4.45Å; Q272-Q274 PolarHBondContact O-N 3.31Å; Q272-Q274 VanDerWaalsContact O-N 3.17Å; Q272-F275 HydrophobicContact CB-CD2 3.54Å; Q272-F275 HydrophobicContact CB-CE2 3.94Å; Q272-F275 HydrophobicContact CB-CG 4.23Å; Q272-F275 HydrophobicContact CG-CD2 3.74Å; Q272-F275 HydrophobicContact CG-CE2 3.8Å; Q272-F275 PolarHBondContact O-N 3.28Å |
| 273 | P | 94.2 | Very high | 96.2 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 67% | 0.669 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -35.3 | -177.7 | -28.5 | 35.8 | 0 | 0 | 0 | 114.8 | Q269 F275 | Q269-P273 PolarHBondContact NE2-O 3.29Å; P273-F275 VanDerWaalsContact C-N 3.31Å; P273-F275 PolarHBondContact O-N 3.05Å |
| 274 | Q | 95 | Very high | 96.1 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.6 | 178.8 | 63.8 | -87.8 | 30.5 | 0 | 0 | 114.1 | Q272 F297 E298 | Q272-Q274 HydrophobicContact CB-CG 4.45Å; Q272-Q274 PolarHBondContact O-N 3.31Å; Q272-Q274 VanDerWaalsContact O-N 3.17Å; Q274-F297 HydrophobicContact CB-CD2 4.29Å; Q274-F297 HydrophobicContact CB-CE2 4.05Å; Q274-F297 HydrophobicContact CG-CD2 4.16Å; Q274-F297 HydrophobicContact CG-CE2 3.71Å; Q274-F297 WeakPolarHBondContact O-CA 3.28Å; Q274-E298 WeakPolarHBondContact CB-O 3.28Å; Q274-E298 PolarHBondContact O-N 3.18Å; Q274-E298 VanDerWaalsContact O-N 3.09Å |
| 275 | F | 95.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125 | -179.4 | -59.6 | -34.7 | 0 | 0 | 0 | 110.2 | Q269 G270 Q272 P273 F297 V331 L333 | Q269-F275 PolarHBondContact NE2-O 3.12Å; G270-F275 WeakPolarHBondContact CA-O 3.28Å; G270-F275 PolarHBondContact N-O 2.83Å; Q272-F275 HydrophobicContact CB-CD2 3.54Å; Q272-F275 HydrophobicContact CB-CE2 3.94Å; Q272-F275 HydrophobicContact CB-CG 4.23Å; Q272-F275 HydrophobicContact CG-CD2 3.74Å; Q272-F275 HydrophobicContact CG-CE2 3.8Å; Q272-F275 PolarHBondContact O-N 3.28Å; P273-F275 VanDerWaalsContact C-N 3.31Å; P273-F275 PolarHBondContact O-N 3.05Å; F275-F297 AromaticContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CE2 4.15Å; F275-F297 AromaticContact CE1-CD2 3.45Å; F275-F297 HydrophobicContact CE1-CD2 3.45Å; F275-F297 VanDerWaalsContact CE1-CD2 3.45Å; F275-F297 AromaticContact CE1-CE2 3.58Å; F275-F297 HydrophobicContact CE1-CE2 3.58Å; F275-V331 HydrophobicContact CB-CG2 4.44Å; F275-V331 HydrophobicContact CD1-CB 3.92Å; F275-V331 HydrophobicContact CD1-CG1 3.53Å; F275-V331 HydrophobicContact CD1-CG2 4.37Å; F275-V331 HydrophobicContact CD2-CB 4.32Å; F275-V331 HydrophobicContact CE1-CB 4.16Å; F275-V331 HydrophobicContact CE1-CG1 3.48Å; F275-V331 VanDerWaalsContact CE1-CG1 3.48Å; F275-V331 HydrophobicContact CG-CB 4.04Å; F275-V331 HydrophobicContact CG-CG1 4.18Å; F275-V331 HydrophobicContact CG-CG2 4.4Å; F275-V331 HydrophobicContact CZ-CB 4.48Å; F275-V331 HydrophobicContact CZ-CG1 4.06Å; F275-L333 HydrophobicContact CZ-CB 4.5Å |
| 276 | K | 96.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 64.3 Ų | 64.3 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.6 | 176.7 | -66.3 | 171.9 | -173.8 | 168.7 | 0 | 108.5 | V267 E268 S296 E298 | V267-K276 HydrophobicContact CG1-CB 3.72Å; V267-K276 HydrophobicContact CG1-CD 4.16Å; V267-K276 HydrophobicContact CG1-CG 4.23Å; E268-K276 CarbonylContact O-C 3.5Å; E268-K276 WeakPolarHBondContact O-CA 3.43Å; K276-S296 PolarHBondContact N-O 2.89Å; K276-S296 PolarHBondContact O-N 2.8Å; K276-S296 VanDerWaalsContact O-O 3.08Å; K276-E298 IonicContact NZ-OE2 2.78Å; K276-E298 PolarHBondContact NZ-OE2 2.95Å |
| 277 | F | 96.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.6 | 177.8 | -62.6 | -75.5 | 0 | 0 | 0 | 109.6 | V267 E268 I279 V292 V331 | V267-F277 CarbonylContact C-O 3.46Å; V267-F277 VanDerWaalsContact CA-O 3.31Å; V267-F277 WeakPolarHBondContact CA-O 3.45Å; E268-F277 PolarHBondContact N-O 3.41Å; E268-F277 PolarHBondContact O-N 3.16Å; F277-I279 HydrophobicContact CB-CG1 4.24Å; F277-V292 HydrophobicContact CB-CG1 4.23Å; F277-V292 HydrophobicContact CB-CG2 4.37Å; F277-V292 HydrophobicContact CD1-CG1 3.78Å; F277-V292 HydrophobicContact CD1-CG2 4.41Å; F277-V292 HydrophobicContact CG-CG1 4.41Å; F277-V331 HydrophobicContact CE1-CG2 3.71Å; F277-V331 HydrophobicContact CZ-CG2 4Å |
| 278 | V | 97.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.4 | 166.2 | -173.5 | 0 | 0 | 0 | 0 | 107.3 | R265 W266 V267 V293 Q294 L305 L365 | R265-V278 HydrophobicContact CB-CG1 4.48Å; W266-V278 CarbonylContact O-C 3.44Å; W266-V278 WeakPolarHBondContact O-CA 3.27Å; V267-V278 HydrophobicContact CG2-CG2 4.46Å; V278-V293 HydrophobicContact CB-CG2 4.18Å; V278-V293 HydrophobicContact CG1-CG2 3.8Å; V278-V293 WeakPolarHBondContact O-CG2 3.24Å; V278-V293 PolarHBondContact O-N 2.9Å; V278-Q294 HydrophobicContact CB-CB 3.92Å; V278-Q294 HydrophobicContact CG2-CB 3.99Å; V278-Q294 PolarHBondContact N-O 3.45Å; V278-Q294 PolarHBondContact O-N 3.08Å; V278-L305 HydrophobicContact CG2-CD1 3.87Å; V278-L365 HydrophobicContact CG1-CD2 3.98Å |
| 279 | I | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143 | -179.3 | -60.9 | 172.4 | 0 | 0 | 0 | 108.8 | R265 W266 E268 F277 K290 Q291 V292 | R265-I279 CarbonylContact C-O 3.56Å; R265-I279 WeakPolarHBondContact CA-O 3.25Å; W266-I279 HydrophobicContact CD2-CB 4.31Å; W266-I279 HydrophobicContact CH2-CB 4.38Å; W266-I279 HydrophobicContact CH2-CG2 3.61Å; W266-I279 HydrophobicContact CZ2-CB 3.94Å; W266-I279 HydrophobicContact CZ2-CG2 3.37Å; W266-I279 HydrophobicContact CZ3-CG2 4.29Å; W266-I279 PolarHBondContact N-O 2.81Å; W266-I279 PolarHBondContact O-N 2.05Å; E268-I279 HydrophobicContact CB-CD1 3.75Å; E268-I279 HydrophobicContact CG-CD1 3.61Å; E268-I279 WeakPolarHBondContact OE2-CD1 3.46Å; F277-I279 HydrophobicContact CB-CG1 4.24Å; I279-K290 HydrophobicContact CG2-CB 3.93Å; I279-K290 HydrophobicContact CG2-CG 4.45Å; I279-Q291 CarbonylContact C-O 3.46Å; I279-Q291 WeakPolarHBondContact CA-O 3.42Å; I279-V292 HydrophobicContact CG1-CG2 4.23Å |
| 280 | E | 97.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.1 | 174.5 | -167.6 | 166.8 | -148.8 | 0 | 0 | 110 | A264 R265 L282 Q291 V293 | A264-E280 WeakPolarHBondContact O-CA 3.06Å; R265-E280 HydrophobicContact CG-CB 4.01Å; R265-E280 HydrophobicContact CG-CG 3.75Å; R265-E280 IonicContact CZ-OE1 3.01Å; R265-E280 IonicContact CZ-OE2 2.66Å; R265-E280 IonicContact NE-OE1 2.76Å; R265-E280 PolarHBondContact NE-OE1 2.95Å; R265-E280 IonicContact NE-OE2 3.77Å; R265-E280 IonicContact NH2-OE1 3.26Å; R265-E280 PolarHBondContact NH2-OE1 2.66Å; R265-E280 VanDerWaalsContact NH2-OE1 3.09Å; R265-E280 IonicContact NH2-OE2 3.21Å; R265-E280 PolarHBondContact NH2-OE2 3.1Å; E280-L282 HydrophobicContact CB-CD1 4.39Å; E280-L282 HydrophobicContact CB-CD2 4.44Å; E280-L282 HydrophobicContact CB-CG 4.08Å; E280-L282 HydrophobicContact CG-CD1 4.4Å; E280-L282 HydrophobicContact CG-CD2 3.6Å; E280-L282 HydrophobicContact CG-CG 3.76Å; E280-L282 PolarHBondContact O-N 2.95Å; E280-Q291 PolarHBondContact N-O 3.28Å; E280-Q291 PolarHBondContact O-N 2.82Å; E280-V293 HydrophobicContact CB-CG1 3.64Å; E280-V293 HydrophobicContact CB-CG2 4.07Å; E280-V293 WeakPolarHBondContact OE2-CG1 3.39Å |
| 281 | C | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 101 | 173.2 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | G247 C248 G263 A264 W266 | G247-C281 VanDerWaalsContact C-SG 3.6Å; C248-C281 HydrophobicContact CB-CB 3.7Å; C248-C281 WeakPolarHBondContact CB-SG 3.48Å; C248-C281 PolarHBondContact N-SG 2.93Å; C248-C281 VanDerWaalsContact SG-CA 3.56Å; C248-C281 WeakPolarHBondContact SG-CB 3.45Å; C248-C281 CovalentContact SG-SG 2.05Å; C248-C281 PolarHBondContact SG-SG 2.75Å; G263-C281 PolarHBondContact N-O 2.76Å; A264-C281 PolarHBondContact O-N 3.4Å; W266-C281 HydrophobicContact CH2-CB 3.91Å; W266-C281 HydrophobicContact CZ3-CB 3.71Å |
| 282 | L | 97.5 | Very high | 96 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.3 | -171.7 | -69.1 | 173.8 | 0 | 0 | 0 | 111.7 | E280 I288 Q289 Q291 | E280-L282 HydrophobicContact CB-CD1 4.39Å; E280-L282 HydrophobicContact CB-CD2 4.44Å; E280-L282 HydrophobicContact CB-CG 4.08Å; E280-L282 HydrophobicContact CG-CD1 4.4Å; E280-L282 HydrophobicContact CG-CD2 3.6Å; E280-L282 HydrophobicContact CG-CG 3.76Å; E280-L282 PolarHBondContact O-N 2.95Å; L282-I288 WeakPolarHBondContact O-CA 3.42Å; L282-Q289 HydrophobicContact CB-CG 4.34Å; L282-Q289 PolarHBondContact N-O 2.91Å; L282-Q289 PolarHBondContact O-N 2.83Å; L282-Q291 HydrophobicContact CD1-CB 3.9Å; L282-Q291 HydrophobicContact CD1-CG 4.4Å |
| 283 | R | 97.4 | Very high | 96.1 | Very high | 153 Ų | 153 | 60.2 Ų | 60.2 | 58% | 0.577 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.5 | 167.9 | -179.7 | 177.6 | -72.6 | 167.5 | -5.1 | 109.5 | I262 G285 E287 I288 | I262-R283 HydrophobicContact CG2-CB 3.92Å; R283-G285 VanDerWaalsContact CG-O 3.3Å; R283-G285 WeakPolarHBondContact CG-O 3.06Å; R283-E287 CarbonylContact C-O 3.56Å; R283-E287 WeakPolarHBondContact CA-O 3.47Å; R283-I288 HydrophobicContact CB-CG1 4.32Å; R283-I288 HydrophobicContact CG-CG1 4.45Å |
| 284 | K | 95.6 | Very high | 96.2 | Very high | 142 Ų | 142 | 55.8 Ų | 55.8 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 95.9 | 175.4 | -168.5 | -179.3 | 178.4 | -170.3 | 0 | 108.7 | N286 E287 | K284-N286 PolarHBondContact O-N 2.89Å; K284-E287 PolarHBondContact N-O 2.8Å; K284-E287 PolarHBondContact O-N 3.47Å |
| 285 | G | 94 | Very high | 96.3 | Very high | 61 Ų | 61 | 53 Ų | 53 | 63% | 0.629 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | -122.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R283 | R283-G285 VanDerWaalsContact CG-O 3.3Å; R283-G285 WeakPolarHBondContact CG-O 3.06Å |
| 286 | N | 91.6 | Very high | 96.3 | Very high | 174 Ų | 174 | 53.9 Ų | 53.9 | 93% | 0.93 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -2.2 | 177.8 | -67.9 | -17.4 | 0 | 0 | 0 | 113.3 | K284 | K284-N286 PolarHBondContact O-N 2.89Š|
| 287 | E | 94 | Very high | 96.2 | Very high | 138 Ų | 138 | 52.1 Ų | 52.1 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 147.3 | -179.6 | -65.1 | 178.5 | 175 | 0 | 0 | 110.5 | R283 K284 | R283-E287 CarbonylContact C-O 3.56Å; R283-E287 WeakPolarHBondContact CA-O 3.47Å; K284-E287 PolarHBondContact N-O 2.8Å; K284-E287 PolarHBondContact O-N 3.47Å |
| 288 | I | 96.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.4 | 169.9 | -69.9 | 169.7 | 0 | 0 | 0 | 106.6 | F221 I245 I262 L282 R283 | F221-I288 HydrophobicContact CD1-CG2 4.2Å; F221-I288 HydrophobicContact CE1-CG2 4.27Å; F221-I288 WeakPolarHBondContact CE1-O 3.42Å; I245-I288 HydrophobicContact CB-CD1 3.8Å; I245-I288 HydrophobicContact CG2-CB 3.83Å; I245-I288 HydrophobicContact CG2-CD1 3.54Å; I245-I288 HydrophobicContact CG2-CG1 4.23Å; I245-I288 HydrophobicContact CG2-CG2 4.03Å; I245-I288 WeakPolarHBondContact O-CD1 3.37Å; I262-I288 HydrophobicContact CD1-CD1 3.38Å; I262-I288 HydrophobicContact CD1-CG1 4.17Å; I262-I288 HydrophobicContact CG1-CD1 3.88Å; I262-I288 HydrophobicContact CG1-CG1 4.48Å; L282-I288 WeakPolarHBondContact O-CA 3.42Å; R283-I288 HydrophobicContact CB-CG1 4.32Å; R283-I288 HydrophobicContact CG-CG1 4.45Å |
| 289 | Q | 96 | Very high | 96 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.7 | -177 | 61.9 | 178.4 | 19.7 | 0 | 0 | 110.4 | L282 | L282-Q289 HydrophobicContact CB-CG 4.34Å; L282-Q289 PolarHBondContact N-O 2.91Å; L282-Q289 PolarHBondContact O-N 2.83Å |
| 290 | K | 96.7 | Very high | 95.9 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.3 | 162.6 | -65.5 | -175.5 | -178.3 | -174.1 | 0 | 108.3 | G220 C248 T249 W266 E268 I279 | G220-K290 WeakPolarHBondContact O-CE 3.36Å; C248-K290 HydrophobicContact CB-CG 4.08Å; T249-K290 WeakPolarHBondContact O-CE 3.41Å; T249-K290 PolarHBondContact O-NZ 2.66Å; W266-K290 HydrophobicContact CH2-CG 4.3Å; W266-K290 HydrophobicContact CZ2-CD 4.22Å; W266-K290 HydrophobicContact CZ2-CG 4.3Å; E268-K290 IonicContact OE1-NZ 3.55Å; I279-K290 HydrophobicContact CG2-CB 3.93Å; I279-K290 HydrophobicContact CG2-CG 4.45Å |
| 291 | Q | 96.5 | Very high | 95.7 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 23% | 0.229 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.5 | 176.9 | -175 | 169.4 | -6.8 | 0 | 0 | 110.1 | I279 E280 L282 V293 | I279-Q291 CarbonylContact C-O 3.46Å; I279-Q291 WeakPolarHBondContact CA-O 3.42Å; E280-Q291 PolarHBondContact N-O 3.28Å; E280-Q291 PolarHBondContact O-N 2.82Å; L282-Q291 HydrophobicContact CD1-CB 3.9Å; L282-Q291 HydrophobicContact CD1-CG 4.4Å; Q291-V293 HydrophobicContact CG-CG1 4.38Å; Q291-V293 PolarHBondContact O-N 2.8Å |
| 292 | V | 96.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 114.8 | 165.8 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | F277 I279 V329 | F277-V292 HydrophobicContact CB-CG1 4.23Å; F277-V292 HydrophobicContact CB-CG2 4.37Å; F277-V292 HydrophobicContact CD1-CG1 3.78Å; F277-V292 HydrophobicContact CD1-CG2 4.41Å; F277-V292 HydrophobicContact CG-CG1 4.41Å; I279-V292 HydrophobicContact CG1-CG2 4.23Å; V292-V329 HydrophobicContact CB-CB 3.92Å; V292-V329 HydrophobicContact CB-CG1 4.31Å; V292-V329 HydrophobicContact CB-CG2 3.96Å; V292-V329 HydrophobicContact CG1-CB 3.92Å; V292-V329 HydrophobicContact CG1-CG1 3.74Å; V292-V329 HydrophobicContact CG1-CG2 4.26Å; V292-V329 HydrophobicContact CG2-CB 4.27Å |
| 293 | V | 96.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 14% | 0.139 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -24.6 | 179.7 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | V278 E280 Q291 P308 | V278-V293 HydrophobicContact CB-CG2 4.18Å; V278-V293 HydrophobicContact CG1-CG2 3.8Å; V278-V293 WeakPolarHBondContact O-CG2 3.24Å; V278-V293 PolarHBondContact O-N 2.9Å; E280-V293 HydrophobicContact CB-CG1 3.64Å; E280-V293 HydrophobicContact CB-CG2 4.07Å; E280-V293 WeakPolarHBondContact OE2-CG1 3.39Å; Q291-V293 HydrophobicContact CG-CG1 4.38Å; Q291-V293 PolarHBondContact O-N 2.8Å; V293-P308 WeakPolarHBondContact O-CD 3.49Å |
| 294 | Q | 97 | Very high | 95 | Very high | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 148.8 | 174 | -52 | -177.6 | -64.1 | 0 | 0 | 111.1 | V278 L305 L306 D307 | V278-Q294 HydrophobicContact CB-CB 3.92Å; V278-Q294 HydrophobicContact CG2-CB 3.99Å; V278-Q294 PolarHBondContact N-O 3.45Å; V278-Q294 PolarHBondContact O-N 3.08Å; Q294-L305 HydrophobicContact CB-CD1 3.7Å; Q294-L305 HydrophobicContact CB-CG 4.14Å; Q294-L305 HydrophobicContact CG-CD1 4.45Å; Q294-L305 HydrophobicContact CG-CG 4.49Å; Q294-L306 CarbonylContact C-O 3.57Å; Q294-L306 VanDerWaalsContact CA-O 3.23Å; Q294-L306 WeakPolarHBondContact CA-O 3.29Å; Q294-D307 WeakPolarHBondContact CG-OD1 3.43Å; Q294-D307 PolarHBondContact NE2-OD1 3.28Å |
| 295 | C | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.1 | 163.6 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | L305 L306 C321 V329 V331 | C295-L305 CarbonylContact O-C 3.56Å; C295-L305 WeakPolarHBondContact O-CA 3.42Å; C295-L306 PolarHBondContact N-O 2.92Å; C295-L306 PolarHBondContact O-N 2.99Å; C295-C321 HydrophobicContact CB-CB 3.56Å; C295-C321 WeakPolarHBondContact CB-SG 3.48Å; C295-C321 VanDerWaalsContact SG-CA 3.59Å; C295-C321 WeakPolarHBondContact SG-CB 3.37Å; C295-C321 CovalentContact SG-SG 2.03Å; C295-C321 PolarHBondContact SG-SG 3.05Å; C295-V329 VanDerWaalsContact SG-CG1 3.58Å; C295-V331 HydrophobicContact CB-CG2 3.75Å |
| 296 | S | 95.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.7 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | K276 A304 | K276-S296 PolarHBondContact N-O 2.89Å; K276-S296 PolarHBondContact O-N 2.8Å; K276-S296 VanDerWaalsContact O-O 3.08Å; S296-A304 CarbonylContact C-O 3.59Å; S296-A304 WeakPolarHBondContact CA-O 3.38Å |
| 297 | F | 94.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134 | 178 | 176.1 | -98.7 | 0 | 0 | 0 | 110 | Q274 F275 S299 K303 A304 V314 I319 | Q274-F297 HydrophobicContact CB-CD2 4.29Å; Q274-F297 HydrophobicContact CB-CE2 4.05Å; Q274-F297 HydrophobicContact CG-CD2 4.16Å; Q274-F297 HydrophobicContact CG-CE2 3.71Å; Q274-F297 WeakPolarHBondContact O-CA 3.28Å; F275-F297 AromaticContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CE2 4.15Å; F275-F297 AromaticContact CE1-CD2 3.45Å; F275-F297 HydrophobicContact CE1-CD2 3.45Å; F275-F297 VanDerWaalsContact CE1-CD2 3.45Å; F275-F297 AromaticContact CE1-CE2 3.58Å; F275-F297 HydrophobicContact CE1-CE2 3.58Å; F297-S299 VanDerWaalsContact CE1-OG 3.28Å; F297-S299 WeakPolarHBondContact CE1-OG 3.33Å; F297-K303 CarbonylContact O-C 3.58Å; F297-K303 VanDerWaalsContact O-CA 3.24Å; F297-K303 WeakPolarHBondContact O-CA 3.43Å; F297-A304 HydrophobicContact CB-CB 4.44Å; F297-A304 PolarHBondContact N-O 2.66Å; F297-A304 PolarHBondContact O-N 2.8Å; F297-V314 HydrophobicContact CD1-CG1 4.32Å; F297-V314 HydrophobicContact CE1-CB 4.41Å; F297-V314 HydrophobicContact CE1-CG1 4.07Å; F297-I319 HydrophobicContact CB-CD1 4.1Å; F297-I319 HydrophobicContact CB-CG2 4.38Å; F297-I319 HydrophobicContact CD1-CD1 3.02Å; F297-I319 HydrophobicContact CD2-CD1 3.72Å; F297-I319 HydrophobicContact CE1-CD1 3.05Å; F297-I319 HydrophobicContact CE1-CG1 4.48Å; F297-I319 HydrophobicContact CE2-CD1 3.76Å; F297-I319 HydrophobicContact CG-CD1 3.34Å; F297-I319 HydrophobicContact CG-CG2 4.44Å; F297-I319 HydrophobicContact CZ-CD1 3.43Å; F297-I319 VanDerWaalsContact CZ-CD1 3.43Å |
| 298 | E | 94.5 | Very high | 95.2 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.4 | 179.3 | -177.3 | 163.4 | -152.6 | 0 | 0 | 110.2 | Q274 K276 K303 | Q274-E298 WeakPolarHBondContact CB-O 3.28Å; Q274-E298 PolarHBondContact O-N 3.18Å; Q274-E298 VanDerWaalsContact O-N 3.09Å; K276-E298 IonicContact NZ-OE2 2.78Å; K276-E298 PolarHBondContact NZ-OE2 2.95Å; E298-K303 HydrophobicContact CB-CG 4.5Å; E298-K303 HydrophobicContact CG-CD 4.37Å; E298-K303 HydrophobicContact CG-CG 4.15Å; E298-K303 WeakPolarHBondContact OE1-CE 3.09Å; E298-K303 IonicContact OE1-NZ 2.87Å; E298-K303 PolarHBondContact OE1-NZ 2.89Å |
| 299 | S | 94.1 | Very high | 95 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 172.8 | 177.6 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | F297 H301 G302 | F297-S299 VanDerWaalsContact CE1-OG 3.28Å; F297-S299 WeakPolarHBondContact CE1-OG 3.33Å; S299-H301 PolarHBondContact O-N 2.87Å; S299-H301 PolarHBondContact OG-N 2.88Å; S299-G302 PolarHBondContact N-O 3Å; S299-G302 PolarHBondContact O-N 3.22Å; S299-G302 VanDerWaalsContact O-N 3.12Å; S299-G302 PolarHBondContact OG-N 2.89Å; S299-G302 PolarHBondContact OG-O 3.29Å; S299-G302 VanDerWaalsContact OG-O 3.11Å |
| 300 | S | 95 | Very high | 94.9 | Very high | 119 Ų | 119 | 43.6 Ų | 43.6 | 83% | 0.832 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.9 | 170.2 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | G302 | S300-G302 VanDerWaalsContact C-N 3.34Š|
| 301 | H | 94.2 | Very high | 94.7 | Very high | 119 Ų | 119 | 40.2 Ų | 40.2 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6 | 178.8 | -61.2 | -61.1 | 0 | 0 | 0 | 113.8 | S299 V314 | S299-H301 PolarHBondContact O-N 2.87Å; S299-H301 PolarHBondContact OG-N 2.88Å; H301-V314 HydrophobicContact CB-CG1 4.21Å |
| 302 | G | 92.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | -178.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S299 S300 | S299-G302 PolarHBondContact N-O 3Å; S299-G302 PolarHBondContact O-N 3.22Å; S299-G302 VanDerWaalsContact O-N 3.12Å; S299-G302 PolarHBondContact OG-N 2.89Å; S299-G302 PolarHBondContact OG-O 3.29Å; S299-G302 VanDerWaalsContact OG-O 3.11Å; S300-G302 VanDerWaalsContact C-N 3.34Å |
| 303 | K | 93.1 | Very high | 94.3 | Very high | 139 Ų | 139 | 45.2 Ų | 45.2 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.8 | 178.8 | -55.8 | -173.1 | -171.4 | -159.4 | 0 | 110.2 | F297 E298 | F297-K303 CarbonylContact O-C 3.58Å; F297-K303 VanDerWaalsContact O-CA 3.24Å; F297-K303 WeakPolarHBondContact O-CA 3.43Å; E298-K303 HydrophobicContact CB-CG 4.5Å; E298-K303 HydrophobicContact CG-CD 4.37Å; E298-K303 HydrophobicContact CG-CG 4.15Å; E298-K303 WeakPolarHBondContact OE1-CE 3.09Å; E298-K303 IonicContact OE1-NZ 2.87Å; E298-K303 PolarHBondContact OE1-NZ 2.89Å |
| 304 | A | 93.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S296 F297 V314 | S296-A304 CarbonylContact C-O 3.59Å; S296-A304 WeakPolarHBondContact CA-O 3.38Å; F297-A304 HydrophobicContact CB-CB 4.44Å; F297-A304 PolarHBondContact N-O 2.66Å; F297-A304 PolarHBondContact O-N 2.8Å; A304-V314 HydrophobicContact CB-CG2 3.68Å |
| 305 | L | 95.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.9 | 172.9 | -172.6 | 68.8 | 0 | 0 | 0 | 107.2 | V278 Q294 C295 L365 | V278-L305 HydrophobicContact CG2-CD1 3.87Å; Q294-L305 HydrophobicContact CB-CD1 3.7Å; Q294-L305 HydrophobicContact CB-CG 4.14Å; Q294-L305 HydrophobicContact CG-CD1 4.45Å; Q294-L305 HydrophobicContact CG-CG 4.49Å; C295-L305 CarbonylContact O-C 3.56Å; C295-L305 WeakPolarHBondContact O-CA 3.42Å; L305-L365 HydrophobicContact CD2-CD1 3.57Å; L305-L365 HydrophobicContact CD2-CG 4.46Å |
| 306 | L | 95.2 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.1 | -169 | -58.5 | 174.3 | 0 | 0 | 0 | 110 | Q294 C295 C310 R312 I319 C321 | Q294-L306 CarbonylContact C-O 3.57Å; Q294-L306 VanDerWaalsContact CA-O 3.23Å; Q294-L306 WeakPolarHBondContact CA-O 3.29Å; C295-L306 PolarHBondContact N-O 2.92Å; C295-L306 PolarHBondContact O-N 2.99Å; L306-C310 HydrophobicContact CB-CB 4.37Å; L306-R312 HydrophobicContact CD2-CB 3.44Å; L306-R312 VanDerWaalsContact CD2-CB 3.44Å; L306-R312 HydrophobicContact CD2-CG 4.48Å; L306-I319 HydrophobicContact CD1-CB 4.28Å; L306-I319 HydrophobicContact CD1-CG2 4Å; L306-I319 WeakPolarHBondContact CD1-O 3.46Å; L306-C321 HydrophobicContact CB-CB 3.8Å; L306-C321 HydrophobicContact CD1-CB 4.49Å |
| 307 | D | 94.5 | Very high | 93.3 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | -70.1 | 151.2 | 169.4 | -64.4 | -16.7 | 0 | 0 | 0 | 110.2 | Q294 G309 C310 | Q294-D307 WeakPolarHBondContact CG-OD1 3.43Å; Q294-D307 PolarHBondContact NE2-OD1 3.28Å; D307-G309 PolarHBondContact O-N 3.01Å; D307-C310 WeakPolarHBondContact O-CB 3.4Å; D307-C310 PolarHBondContact O-N 3.46Å; D307-C310 PolarHBondContact O-SG 2.94Å | ||
| 308 | P | 94.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 126.9 | 173.9 | -27.1 | 33 | 0 | 0 | 0 | 112.4 | V293 R323 V329 | V293-P308 WeakPolarHBondContact O-CD 3.49Å; P308-R323 HydrophobicContact CB-CB 4.25Å; P308-V329 HydrophobicContact CB-CG1 4.49Å; P308-V329 HydrophobicContact CB-CG2 4.23Å; P308-V329 HydrophobicContact CG-CG1 4.39Å; P308-V329 HydrophobicContact CG-CG2 4.24Å |
| 309 | G | 92.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 7.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D307 C321 | D307-G309 PolarHBondContact O-N 3.01Å; G309-C321 PolarHBondContact N-O 3.33Å |
| 310 | C | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 153.7 | 177.3 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | L306 D307 C321 C358 | L306-C310 HydrophobicContact CB-CB 4.37Å; D307-C310 WeakPolarHBondContact O-CB 3.4Å; D307-C310 PolarHBondContact O-N 3.46Å; D307-C310 PolarHBondContact O-SG 2.94Å; C310-C321 PolarHBondContact O-N 3.34Å; C310-C358 HydrophobicContact CB-CB 3.64Å; C310-C358 WeakPolarHBondContact CB-SG 3.08Å; C310-C358 WeakPolarHBondContact SG-CB 3.5Å; C310-C358 CovalentContact SG-SG 2.02Å; C310-C358 PolarHBondContact SG-SG 3.32Å |
| 311 | A | 92.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L318 I319 A320 V346 L351 | A311-L318 HydrophobicContact CB-CD1 4.25Å; A311-I319 CarbonylContact C-O 3.48Å; A311-I319 WeakPolarHBondContact CA-O 3.06Å; A311-I319 WeakPolarHBondContact CB-O 3.18Å; A311-A320 HydrophobicContact CB-CB 3.95Å; A311-V346 HydrophobicContact CB-CG2 4.06Å; A311-L351 HydrophobicContact CB-CD1 4.15Å |
| 312 | R | 92.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 33.4 Ų | 33.4 | 35% | 0.347 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143 | 177.8 | -176.2 | 175.7 | 177.2 | 172.8 | 0.3 | 111 | L306 I319 | L306-R312 HydrophobicContact CD2-CB 3.44Å; L306-R312 VanDerWaalsContact CD2-CB 3.44Å; L306-R312 HydrophobicContact CD2-CG 4.48Å; R312-I319 PolarHBondContact N-O 3.49Å; R312-I319 PolarHBondContact O-N 3.11Å |
| 313 | K | 91.9 | Very high | 93.3 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 40% | 0.4 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.7 | 172.1 | -165.4 | 168 | -164.2 | 147.1 | 0 | 110.8 | S317 D342 | K313-S317 WeakPolarHBondContact CA-O 3.18Å; K313-D342 IonicContact NZ-OD2 3.68Å; K313-D342 PolarHBondContact NZ-OD2 3.35Å |
| 314 | V | 92.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 103 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | F297 H301 A304 S317 I319 | F297-V314 HydrophobicContact CD1-CG1 4.32Å; F297-V314 HydrophobicContact CE1-CB 4.41Å; F297-V314 HydrophobicContact CE1-CG1 4.07Å; H301-V314 HydrophobicContact CB-CG1 4.21Å; A304-V314 HydrophobicContact CB-CG2 3.68Å; V314-S317 PolarHBondContact N-O 2.86Å; V314-S317 PolarHBondContact O-N 2.75Å; V314-I319 HydrophobicContact CB-CD1 3.82Å; V314-I319 HydrophobicContact CG2-CD1 3.74Å; V314-I319 HydrophobicContact CG2-CG1 4.38Å |
| 315 | G | 91.2 | Very high | 93 | Very high | 43 Ų | 43 | 47.8 Ų | 47.8 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -128.7 | -171 | 0 | 0 | 0 | 0 | 0 | 111.8 | S317 | G315-S317 VanDerWaalsContact C-N 3.29Š|
| 316 | P | 91.3 | Very high | 92.7 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 49% | 0.494 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.5 | 179.9 | 34.5 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 317 | S | 92 | Very high | 92.5 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.1 | -174.5 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | K313 V314 G315 L333 | K313-S317 WeakPolarHBondContact CA-O 3.18Å; V314-S317 PolarHBondContact N-O 2.86Å; V314-S317 PolarHBondContact O-N 2.75Å; G315-S317 VanDerWaalsContact C-N 3.29Å; S317-L333 VanDerWaalsContact CB-CD1 3.42Å |
| 318 | L | 92.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.1 | 166.9 | 179.7 | 74.6 | 0 | 0 | 0 | 108.6 | A311 L334 D342 A345 V346 | A311-L318 HydrophobicContact CB-CD1 4.25Å; L318-L334 HydrophobicContact CB-CB 4.16Å; L318-L334 HydrophobicContact CD2-CB 4.49Å; L318-L334 HydrophobicContact CD2-CD1 3.99Å; L318-L334 PolarHBondContact N-O 2.88Å; L318-L334 PolarHBondContact O-N 2.82Å; L318-D342 HydrophobicContact CD2-CB 4.5Å; L318-A345 HydrophobicContact CD2-CB 4.12Å; L318-V346 HydrophobicContact CD2-CG2 3.86Å |
| 319 | I | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.9 | -176.8 | -52.5 | -177.2 | 0 | 0 | 0 | 108.1 | F297 L306 A311 R312 V314 V331 Q332 L333 | F297-I319 HydrophobicContact CB-CD1 4.1Å; F297-I319 HydrophobicContact CB-CG2 4.38Å; F297-I319 HydrophobicContact CD1-CD1 3.02Å; F297-I319 HydrophobicContact CD2-CD1 3.72Å; F297-I319 HydrophobicContact CE1-CD1 3.05Å; F297-I319 HydrophobicContact CE1-CG1 4.48Å; F297-I319 HydrophobicContact CE2-CD1 3.76Å; F297-I319 HydrophobicContact CG-CD1 3.34Å; F297-I319 HydrophobicContact CG-CG2 4.44Å; F297-I319 HydrophobicContact CZ-CD1 3.43Å; F297-I319 VanDerWaalsContact CZ-CD1 3.43Å; L306-I319 HydrophobicContact CD1-CB 4.28Å; L306-I319 HydrophobicContact CD1-CG2 4Å; L306-I319 WeakPolarHBondContact CD1-O 3.46Å; A311-I319 CarbonylContact C-O 3.48Å; A311-I319 WeakPolarHBondContact CA-O 3.06Å; A311-I319 WeakPolarHBondContact CB-O 3.18Å; R312-I319 PolarHBondContact N-O 3.49Å; R312-I319 PolarHBondContact O-N 3.11Å; V314-I319 HydrophobicContact CB-CD1 3.82Å; V314-I319 HydrophobicContact CG2-CD1 3.74Å; V314-I319 HydrophobicContact CG2-CG1 4.38Å; I319-V331 HydrophobicContact CG2-CG1 3.74Å; I319-Q332 WeakPolarHBondContact CA-O 3.48Å; I319-L333 HydrophobicContact CD1-CD1 4.14Å; I319-L333 HydrophobicContact CG1-CD1 3.69Å |
| 320 | A | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | A311 N322 V331 Q332 L349 L351 | A311-A320 HydrophobicContact CB-CB 3.95Å; A320-N322 PolarHBondContact O-N 2.72Å; A320-V331 WeakPolarHBondContact O-CA 3.33Å; A320-Q332 PolarHBondContact N-O 2.89Å; A320-Q332 PolarHBondContact O-N 3.32Å; A320-L349 HydrophobicContact CB-CD1 3.34Å; A320-L351 HydrophobicContact CB-CD1 4.33Å |
| 321 | C | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 85 | 167.9 | -172.3 | 0 | 0 | 0 | 0 | 107.4 | C295 L306 G309 C310 V329 E330 | C295-C321 HydrophobicContact CB-CB 3.56Å; C295-C321 WeakPolarHBondContact CB-SG 3.48Å; C295-C321 VanDerWaalsContact SG-CA 3.59Å; C295-C321 WeakPolarHBondContact SG-CB 3.37Å; C295-C321 CovalentContact SG-SG 2.03Å; C295-C321 PolarHBondContact SG-SG 3.05Å; L306-C321 HydrophobicContact CB-CB 3.8Å; L306-C321 HydrophobicContact CD1-CB 4.49Å; G309-C321 PolarHBondContact N-O 3.33Å; C310-C321 PolarHBondContact O-N 3.34Å; C321-V329 VanDerWaalsContact SG-CG1 3.59Å; C321-E330 CarbonylContact C-O 3.55Å |
| 322 | N | 93.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133.1 | -172.8 | -174.3 | 28.2 | 0 | 0 | 0 | 110.7 | A320 V329 E330 | A320-N322 PolarHBondContact O-N 2.72Å; N322-V329 CarbonylContact O-C 3.58Å; N322-V329 VanDerWaalsContact O-CA 3.3Å; N322-V329 WeakPolarHBondContact O-CA 3.49Å; N322-E330 HydrophobicContact CB-CG 3.9Å; N322-E330 PolarHBondContact N-O 2.97Å; N322-E330 PolarHBondContact ND2-OE1 2.82Å; N322-E330 PolarHBondContact O-N 2.76Å |
| 323 | R | 92.9 | Very high | 92.7 | Very high | 123 Ų | 123 | 55.5 Ų | 55.5 | 46% | 0.464 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 110.6 | 171.7 | -171.9 | 177.8 | -157.7 | 175.4 | 6.3 | 108.8 | P308 V328 V329 | P308-R323 HydrophobicContact CB-CB 4.25Å; R323-V328 WeakPolarHBondContact CA-O 3.35Å; R323-V329 HydrophobicContact CB-CG2 4.29Å; R323-V329 HydrophobicContact CG-CG2 4.04Å |
| 324 | R | 91.7 | Very high | 92.7 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | trans | -67.9 | 163.2 | 176.4 | -73 | 169.9 | 50.1 | 138.8 | 4.3 | 111.4 | D326 G327 V328 | R324-D326 WeakPolarHBondContact CB-OD1 3.47Å; R324-D326 IonicContact CZ-OD2 2.94Å; R324-D326 VanDerWaalsContact CZ-OD2 3.26Å; R324-D326 IonicContact NE-OD1 3.07Å; R324-D326 IonicContact NE-OD2 3.85Å; R324-D326 PolarHBondContact NE-OD2 2.76Å; R324-D326 IonicContact NH2-OD2 3.74Å; R324-D326 PolarHBondContact NH2-OD2 2.05Å; R324-D326 PolarHBondContact O-N 2.82Å; R324-G327 WeakPolarHBondContact O-CA 3.39Å; R324-G327 PolarHBondContact O-N 2.79Å; R324-V328 PolarHBondContact N-O 2.85Å | ||
| 325 | F | 89.4 | Confident | 92.5 | Very high | 229 Ų | 229 | 58.8 Ų | 58.8 | 100% | 1.004 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.5 | 178.5 | -63.6 | -78.4 | 0 | 0 | 0 | 113.6 | G327 | F325-G327 PolarHBondContact O-N 3.46Š|
| 326 | D | 89.8 | Confident | 92 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5 | 172.1 | 56 | 19.4 | 0 | 0 | 0 | 113.2 | R324 V328 | R324-D326 WeakPolarHBondContact CB-OD1 3.47Å; R324-D326 IonicContact CZ-OD2 2.94Å; R324-D326 VanDerWaalsContact CZ-OD2 3.26Å; R324-D326 IonicContact NE-OD1 3.07Å; R324-D326 IonicContact NE-OD2 3.85Å; R324-D326 PolarHBondContact NE-OD2 2.76Å; R324-D326 IonicContact NH2-OD2 3.74Å; R324-D326 PolarHBondContact NH2-OD2 2.05Å; R324-D326 PolarHBondContact O-N 2.82Å; D326-V328 VanDerWaalsContact OD1-CB 3.27Å; D326-V328 WeakPolarHBondContact OD1-CB 3.34Å; D326-V328 WeakPolarHBondContact OD1-CG2 2.93Å; D326-V328 PolarHBondContact OD1-N 3.37Å |
| 327 | G | 89.8 | Confident | 91.7 | Very high | 32 Ų | 32 | 60.1 Ų | 60.1 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 88.8 | -5.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R324 F325 | R324-G327 WeakPolarHBondContact O-CA 3.39Å; R324-G327 PolarHBondContact O-N 2.79Å; F325-G327 PolarHBondContact O-N 3.46Å |
| 328 | V | 92.5 | Very high | 91.5 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | trans | -65.1 | 134.3 | 175.6 | 179 | 0 | 0 | 0 | 0 | 109.2 | R323 R324 D326 | R323-V328 WeakPolarHBondContact CA-O 3.35Å; R324-V328 PolarHBondContact N-O 2.85Å; D326-V328 VanDerWaalsContact OD1-CB 3.27Å; D326-V328 WeakPolarHBondContact OD1-CB 3.34Å; D326-V328 WeakPolarHBondContact OD1-CG2 2.93Å; D326-V328 PolarHBondContact OD1-N 3.37Å | ||
| 329 | V | 95 | Very high | 91.2 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.5 | 176 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | V292 C295 P308 C321 N322 R323 | V292-V329 HydrophobicContact CB-CB 3.92Å; V292-V329 HydrophobicContact CB-CG1 4.31Å; V292-V329 HydrophobicContact CB-CG2 3.96Å; V292-V329 HydrophobicContact CG1-CB 3.92Å; V292-V329 HydrophobicContact CG1-CG1 3.74Å; V292-V329 HydrophobicContact CG1-CG2 4.26Å; V292-V329 HydrophobicContact CG2-CB 4.27Å; C295-V329 VanDerWaalsContact SG-CG1 3.58Å; P308-V329 HydrophobicContact CB-CG1 4.49Å; P308-V329 HydrophobicContact CB-CG2 4.23Å; P308-V329 HydrophobicContact CG-CG1 4.39Å; P308-V329 HydrophobicContact CG-CG2 4.24Å; C321-V329 VanDerWaalsContact SG-CG1 3.59Å; N322-V329 CarbonylContact O-C 3.58Å; N322-V329 VanDerWaalsContact O-CA 3.3Å; N322-V329 WeakPolarHBondContact O-CA 3.49Å; R323-V329 HydrophobicContact CB-CG2 4.29Å; R323-V329 HydrophobicContact CG-CG2 4.04Å |
| 330 | E | 94.5 | Very high | 90.9 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.3 | -179.5 | 65 | -172.5 | -174 | 0 | 0 | 110.5 | C321 N322 Q332 | C321-E330 CarbonylContact C-O 3.55Å; N322-E330 HydrophobicContact CB-CG 3.9Å; N322-E330 PolarHBondContact N-O 2.97Å; N322-E330 PolarHBondContact ND2-OE1 2.82Å; N322-E330 PolarHBondContact O-N 2.76Å; E330-Q332 HydrophobicContact CG-CG 4.27Å; E330-Q332 PolarHBondContact OE1-NE2 2.86Å |
| 331 | V | 94.7 | Very high | 90.6 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.3 | 171.7 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | F275 F277 C295 I319 A320 | F275-V331 HydrophobicContact CB-CG2 4.44Å; F275-V331 HydrophobicContact CD1-CB 3.92Å; F275-V331 HydrophobicContact CD1-CG1 3.53Å; F275-V331 HydrophobicContact CD1-CG2 4.37Å; F275-V331 HydrophobicContact CD2-CB 4.32Å; F275-V331 HydrophobicContact CE1-CB 4.16Å; F275-V331 HydrophobicContact CE1-CG1 3.48Å; F275-V331 VanDerWaalsContact CE1-CG1 3.48Å; F275-V331 HydrophobicContact CG-CB 4.04Å; F275-V331 HydrophobicContact CG-CG1 4.18Å; F275-V331 HydrophobicContact CG-CG2 4.4Å; F275-V331 HydrophobicContact CZ-CB 4.48Å; F275-V331 HydrophobicContact CZ-CG1 4.06Å; F277-V331 HydrophobicContact CE1-CG2 3.71Å; F277-V331 HydrophobicContact CZ-CG2 4Å; C295-V331 HydrophobicContact CB-CG2 3.75Å; I319-V331 HydrophobicContact CG2-CG1 3.74Å; A320-V331 WeakPolarHBondContact O-CA 3.33Å |
| 332 | Q | 93.9 | Very high | 90.1 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.1 | 173.8 | -61.7 | -166.6 | 10.9 | 0 | 0 | 110.4 | I319 A320 E330 | I319-Q332 WeakPolarHBondContact CA-O 3.48Å; A320-Q332 PolarHBondContact N-O 2.89Å; A320-Q332 PolarHBondContact O-N 3.32Å; E330-Q332 HydrophobicContact CG-CG 4.27Å; E330-Q332 PolarHBondContact OE1-NE2 2.86Å |
| 333 | L | 93.5 | Very high | 89.7 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.6 | 173.4 | -171 | 69.4 | 0 | 0 | 0 | 108.5 | F275 S317 I319 | F275-L333 HydrophobicContact CZ-CB 4.5Å; S317-L333 VanDerWaalsContact CB-CD1 3.42Å; I319-L333 HydrophobicContact CD1-CD1 4.14Å; I319-L333 HydrophobicContact CG1-CD1 3.69Å |
| 334 | L | 92.4 | Very high | 89.5 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 22% | 0.22 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.1 | -179 | -63.6 | 163.5 | 0 | 0 | 0 | 107.8 | L318 A345 L349 | L318-L334 HydrophobicContact CB-CB 4.16Å; L318-L334 HydrophobicContact CD2-CB 4.49Å; L318-L334 HydrophobicContact CD2-CD1 3.99Å; L318-L334 PolarHBondContact N-O 2.88Å; L318-L334 PolarHBondContact O-N 2.82Å; L334-A345 HydrophobicContact CD1-CB 3.86Å; L334-L349 HydrophobicContact CD1-CD1 3.71Å; L334-L349 HydrophobicContact CD1-CG 4.33Å |
| 335 | T | 87.9 | Confident | 89.4 | Confident | 131 Ų | 131 | 69.4 Ų | 69.4 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.8 | 171.9 | 48.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 336 | S | 81.1 | Confident | 89.2 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | trans | -138.7 | 122.3 | -175 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | D338 S341 D342 | S336-D338 PolarHBondContact OG-O 3.06Å; S336-D338 VanDerWaalsContact OG-O 3.08Å; S336-S341 PolarHBondContact OG-OG 2.8Å; S336-D342 WeakPolarHBondContact CB-OD1 3.18Å; S336-D342 PolarHBondContact OG-N 2.87Å; S336-D342 PolarHBondContact OG-OD1 3.04Å | ||
| 337 | T | 83.8 | Confident | 89.1 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -85 | -28.1 | -177.6 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | S341 | T337-S341 PolarHBondContact N-OG 2.92Š|
| 338 | D | 87.8 | Confident | 89 | Confident | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -147.8 | 170.3 | -174.5 | 64.9 | 57 | 0 | 0 | 0 | 113.4 | S336 A340 S341 D342 | S336-D338 PolarHBondContact OG-O 3.06Å; S336-D338 VanDerWaalsContact OG-O 3.08Å; D338-A340 PolarHBondContact O-N 3.47Å; D338-A340 WeakPolarHBondContact OD1-CA 3.46Å; D338-A340 VanDerWaalsContact OD1-CB 3.32Å; D338-A340 WeakPolarHBondContact OD1-CB 3.46Å; D338-A340 PolarHBondContact OD1-N 3.29Å; D338-S341 PolarHBondContact N-OG 2.78Å; D338-S341 PolarHBondContact O-N 2.8Å; D338-S341 PolarHBondContact O-OG 2.87Å; D338-S341 PolarHBondContact OD1-N 3.2Å; D338-S341 PolarHBondContact OD1-OG 2.85Å; D338-D342 PolarHBondContact O-N 3.12Å; D338-D342 VanDerWaalsContact O-N 3.13Å |
| 339 | A | 85.6 | Confident | 88.7 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.9 | -21.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S343 | A339-S343 PolarHBondContact O-N 3.11Å; A339-S343 VanDerWaalsContact O-N 3.15Å; A339-S343 PolarHBondContact O-OG 3.44Å |
| 340 | A | 88 | Confident | 88.2 | Confident | 54 Ų | 54 | 63 Ų | 63 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -79.9 | -35.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | D338 S343 R344 | D338-A340 PolarHBondContact O-N 3.47Å; D338-A340 WeakPolarHBondContact OD1-CA 3.46Å; D338-A340 VanDerWaalsContact OD1-CB 3.32Å; D338-A340 WeakPolarHBondContact OD1-CB 3.46Å; D338-A340 PolarHBondContact OD1-N 3.29Å; A340-S343 PolarHBondContact O-N 2.79Å; A340-R344 WeakPolarHBondContact O-CG 3.44Å; A340-R344 PolarHBondContact O-N 3.22Å; A340-R344 PolarHBondContact O-NE 3.3Å |
| 341 | S | 88.4 | Confident | 87.5 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 168.7 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | S336 T337 D338 S343 R344 A345 | S336-S341 PolarHBondContact OG-OG 2.8Å; T337-S341 PolarHBondContact N-OG 2.92Å; D338-S341 PolarHBondContact N-OG 2.78Å; D338-S341 PolarHBondContact O-N 2.8Å; D338-S341 PolarHBondContact O-OG 2.87Å; D338-S341 PolarHBondContact OD1-N 3.2Å; D338-S341 PolarHBondContact OD1-OG 2.85Å; S341-S343 PolarHBondContact O-N 2.98Å; S341-R344 PolarHBondContact O-N 2.05Å; S341-A345 VanDerWaalsContact O-CB 3.26Å; S341-A345 WeakPolarHBondContact O-CB 3.14Å; S341-A345 PolarHBondContact O-N 2.83Å |
| 342 | D | 86.2 | Confident | 86 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.4 | -50.5 | 173.6 | -74.4 | -28 | 0 | 0 | 0 | 111 | K313 L318 S336 D338 R344 A345 V346 | K313-D342 IonicContact NZ-OD2 3.68Å; K313-D342 PolarHBondContact NZ-OD2 3.35Å; L318-D342 HydrophobicContact CD2-CB 4.5Å; S336-D342 WeakPolarHBondContact CB-OD1 3.18Å; S336-D342 PolarHBondContact OG-N 2.87Å; S336-D342 PolarHBondContact OG-OD1 3.04Å; D338-D342 PolarHBondContact O-N 3.12Å; D338-D342 VanDerWaalsContact O-N 3.13Å; D342-R344 PolarHBondContact O-N 2.9Å; D342-A345 PolarHBondContact O-N 2.74Å; D342-V346 WeakPolarHBondContact O-CG2 3.35Å; D342-V346 PolarHBondContact O-N 2.85Å |
| 343 | S | 85.6 | Confident | 84.1 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | -178.5 | -62.9 | 0 | 0 | 0 | 0 | 113 | A339 A340 S341 S347 | A339-S343 PolarHBondContact O-N 3.11Å; A339-S343 VanDerWaalsContact O-N 3.15Å; A339-S343 PolarHBondContact O-OG 3.44Å; A340-S343 PolarHBondContact O-N 2.79Å; S341-S343 PolarHBondContact O-N 2.98Å; S343-S347 WeakPolarHBondContact O-CB 3.49Å; S343-S347 PolarHBondContact O-N 3.2Å; S343-S347 VanDerWaalsContact O-N 3.15Å |
| 344 | R | 89 | Confident | 82.2 | Confident | 156 Ų | 156 | 69.6 Ų | 69.6 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 175.2 | -77.4 | -177 | -75.6 | -173.3 | -1.3 | 111.4 | A340 S341 D342 S347 N348 | A340-R344 WeakPolarHBondContact O-CG 3.44Å; A340-R344 PolarHBondContact O-N 3.22Å; A340-R344 PolarHBondContact O-NE 3.3Å; S341-R344 PolarHBondContact O-N 2.05Å; D342-R344 PolarHBondContact O-N 2.9Å; R344-S347 WeakPolarHBondContact O-CB 3.39Å; R344-S347 PolarHBondContact O-N 3.3Å; R344-N348 VanDerWaalsContact O-CG 3.24Å; R344-N348 PolarHBondContact O-N 3.31Å; R344-N348 PolarHBondContact O-OD1 3.35Å |
| 345 | A | 87.8 | Confident | 80.6 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L318 L334 S341 D342 S347 N348 L349 | L318-A345 HydrophobicContact CD2-CB 4.12Å; L334-A345 HydrophobicContact CD1-CB 3.86Å; S341-A345 VanDerWaalsContact O-CB 3.26Å; S341-A345 WeakPolarHBondContact O-CB 3.14Å; S341-A345 PolarHBondContact O-N 2.83Å; D342-A345 PolarHBondContact O-N 2.74Å; A345-S347 VanDerWaalsContact C-N 3.26Å; A345-S347 PolarHBondContact O-N 2.85Å; A345-N348 PolarHBondContact O-N 2.81Å; A345-L349 WeakPolarHBondContact O-CG 2.97Å; A345-L349 PolarHBondContact O-N 3Å; A345-L349 VanDerWaalsContact O-N 3.15Å |
| 346 | V | 86.9 | Confident | 79.2 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.03 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.8 | -40 | 172.5 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | A311 L318 D342 L349 L351 K356 | A311-V346 HydrophobicContact CB-CG2 4.06Å; L318-V346 HydrophobicContact CD2-CG2 3.86Å; D342-V346 WeakPolarHBondContact O-CG2 3.35Å; D342-V346 PolarHBondContact O-N 2.85Å; V346-L349 PolarHBondContact O-N 3.42Å; V346-L351 HydrophobicContact CG1-CB 3.87Å; V346-L351 HydrophobicContact CG1-CD1 4.29Å; V346-L351 PolarHBondContact O-N 3.44Å; V346-K356 HydrophobicContact CG1-CG 3.95Å |
| 347 | S | 86.7 | Confident | 78.3 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.9 | -162.3 | 0 | 0 | 0 | 0 | 112.4 | S343 R344 A345 L349 G350 | S343-S347 WeakPolarHBondContact O-CB 3.49Å; S343-S347 PolarHBondContact O-N 3.2Å; S343-S347 VanDerWaalsContact O-N 3.15Å; R344-S347 WeakPolarHBondContact O-CB 3.39Å; R344-S347 PolarHBondContact O-N 3.3Å; A345-S347 VanDerWaalsContact C-N 3.26Å; A345-S347 PolarHBondContact O-N 2.85Å; S347-L349 PolarHBondContact O-N 2.84Å; S347-G350 PolarHBondContact O-N 3.06Å |
| 348 | N | 88.2 | Confident | 77.3 | Confident | 139 Ų | 139 | 72.5 Ų | 72.5 | 74% | 0.743 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.5 | -26.5 | 179.4 | -69.7 | -9.7 | 0 | 0 | 0 | 112.6 | R344 A345 G350 | R344-N348 VanDerWaalsContact O-CG 3.24Å; R344-N348 PolarHBondContact O-N 3.31Å; R344-N348 PolarHBondContact O-OD1 3.35Å; A345-N348 PolarHBondContact O-N 2.81Å; N348-G350 PolarHBondContact O-N 2.76Å |
| 349 | L | 86.2 | Confident | 76.1 | Confident | 29 Ų | 29 | 77.3 Ų | 77.3 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -1.1 | 173.6 | -65.1 | 179.4 | 0 | 0 | 0 | 113.8 | A320 L334 A345 V346 S347 L351 | A320-L349 HydrophobicContact CB-CD1 3.34Å; L334-L349 HydrophobicContact CD1-CD1 3.71Å; L334-L349 HydrophobicContact CD1-CG 4.33Å; A345-L349 WeakPolarHBondContact O-CG 2.97Å; A345-L349 PolarHBondContact O-N 3Å; A345-L349 VanDerWaalsContact O-N 3.15Å; V346-L349 PolarHBondContact O-N 3.42Å; S347-L349 PolarHBondContact O-N 2.84Å; L349-L351 HydrophobicContact CB-CD1 4.14Å; L349-L351 HydrophobicContact CB-CG 3.8Å; L349-L351 HydrophobicContact CD1-CD1 4.05Å; L349-L351 PolarHBondContact O-N 2.85Å |
| 350 | G | 83.7 | Confident | 74.6 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 66% | 0.66 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 16.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | S347 N348 S352 | S347-G350 PolarHBondContact O-N 3.06Å; N348-G350 PolarHBondContact O-N 2.76Å; G350-S352 PolarHBondContact O-N 3.48Å |
| 351 | L | 80.2 | Confident | 73.1 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 9% | 0.089 | 44% | 0.443 | C | S | . | . | trans | -73.1 | 115.1 | 176.5 | -60.5 | -178.1 | 0 | 0 | 0 | 108.2 | A311 A320 V346 L349 S353 | A311-L351 HydrophobicContact CB-CD1 4.15Å; A320-L351 HydrophobicContact CB-CD1 4.33Å; V346-L351 HydrophobicContact CG1-CB 3.87Å; V346-L351 HydrophobicContact CG1-CD1 4.29Å; V346-L351 PolarHBondContact O-N 3.44Å; L349-L351 HydrophobicContact CB-CD1 4.14Å; L349-L351 HydrophobicContact CB-CG 3.8Å; L349-L351 HydrophobicContact CD1-CD1 4.05Å; L349-L351 PolarHBondContact O-N 2.85Å; L351-S353 PolarHBondContact O-N 2.78Å | ||
| 352 | S | 63.1 | Low | 71.5 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | trans | -50.6 | 137.8 | -173.7 | 71.6 | 0 | 0 | 0 | 0 | 111.3 | G350 Q354 K355 | G350-S352 PolarHBondContact O-N 3.48Å; S352-Q354 PolarHBondContact O-N 2.86Å; S352-K355 PolarHBondContact O-N 3.43Å | ||
| 353 | S | 54.2 | Low | 70.3 | Confident | 80 Ų | 80 | 90.3 Ų | 90.3 | 56% | 0.559 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -58 | -20.6 | -176.9 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | L351 K356 | L351-S353 PolarHBondContact O-N 2.78Å; S353-K356 VanDerWaalsContact CA-CD 3.45Å; S353-K356 VanDerWaalsContact CA-CE 3.43Å; S353-K356 VanDerWaalsContact CB-CE 3.41Å; S353-K356 VanDerWaalsContact O-CB 3.32Å; S353-K356 WeakPolarHBondContact O-CB 3.43Å; S353-K356 WeakPolarHBondContact O-CD 3Å; S353-K356 WeakPolarHBondContact O-CG 3.34Å |
| 354 | Q | 53.6 | Low | 69.1 | Low | 191 Ų | 191 | 90.9 Ų | 90.9 | 89% | 0.893 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -80.4 | -13.9 | 176.7 | -67.4 | -171.7 | -18.6 | 0 | 0 | 114.3 | S352 | S352-Q354 PolarHBondContact O-N 2.86Š|
| 355 | K | 57.6 | Low | 67.6 | Low | 116 Ų | 116 | 85.3 Ų | 85.3 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -101.5 | 10.5 | 174.5 | -75.6 | -174.2 | 174.5 | -174.9 | 0 | 113.4 | S352 L357 | S352-K355 PolarHBondContact O-N 3.43Å; K355-L357 PolarHBondContact O-N 2.81Å |
| 356 | K | 58.6 | Low | 66.1 | Low | 89 Ų | 89 | 90 Ų | 90 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -59.2 | -14.5 | -157.1 | -101.9 | 172.3 | 179.8 | 179.2 | 0 | 117.9 | V346 S353 | V346-K356 HydrophobicContact CG1-CG 3.95Å; S353-K356 VanDerWaalsContact CA-CD 3.45Å; S353-K356 VanDerWaalsContact CA-CE 3.43Å; S353-K356 VanDerWaalsContact CB-CE 3.41Å; S353-K356 VanDerWaalsContact O-CB 3.32Å; S353-K356 WeakPolarHBondContact O-CB 3.43Å; S353-K356 WeakPolarHBondContact O-CD 3Å; S353-K356 WeakPolarHBondContact O-CG 3.34Å |
| 357 | L | 62.8 | Low | 64.6 | Low | 128 Ų | 128 | 91.3 Ų | 91.3 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -153.6 | 102.5 | 164.9 | -130.5 | 80.9 | 0 | 0 | 0 | 105.5 | K355 Q359 | K355-L357 PolarHBondContact O-N 2.81Å; L357-Q359 PolarHBondContact O-N 2.81Å |
| 358 | C | 63.6 | Low | 62.8 | Low | 47 Ų | 47 | 91.4 Ų | 91.4 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | trans | -64.1 | 110.6 | -177.6 | -66.5 | 0 | 0 | 0 | 0 | 108.7 | C310 | C310-C358 HydrophobicContact CB-CB 3.64Å; C310-C358 WeakPolarHBondContact CB-SG 3.08Å; C310-C358 WeakPolarHBondContact SG-CB 3.5Å; C310-C358 CovalentContact SG-SG 2.02Å; C310-C358 PolarHBondContact SG-SG 3.32Å | ||
| 359 | Q | 61.5 | Low | 60.8 | Low | 169 Ų | 169 | 87.7 Ų | 87.7 | 79% | 0.79 | 49% | 0.488 | S | S | * | . | trans | -63.5 | 135.9 | 169.6 | -70.8 | -179 | -12.1 | 0 | 0 | 107.7 | L357 T361 | L357-Q359 PolarHBondContact O-N 2.81Å; Q359-T361 PolarHBondContact O-N 3.38Å | ||
| 360 | C | 54 | Low | 59.1 | Low | 82 Ų | 82 | 91.7 Ų | 91.7 | 55% | 0.554 | 51% | 0.506 | S | S | * | . | trans | -45 | 105.8 | -174.3 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | T362 | C360-T362 PolarHBondContact O-N 2.97Å; C360-T362 VanDerWaalsContact O-N 3.14Å | ||
| 361 | T | 56.2 | Low | 57.3 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | trans | -75.6 | 99.9 | 164.5 | 46.3 | 0 | 0 | 0 | 0 | 106.8 | Q359 R363 | Q359-T361 PolarHBondContact O-N 3.38Å; T361-R363 PolarHBondContact O-N 3.21Å | ||
| 362 | T | 56.4 | Low | 55.5 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 63% | 0.632 | 55% | 0.548 | S | S | * | . | trans | -71.1 | 70.3 | 171.3 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | C360 | C360-T362 PolarHBondContact O-N 2.97Å; C360-T362 VanDerWaalsContact O-N 3.14Å | ||
| 363 | R | 60.7 | Low | 54.3 | Low | 178 Ų | 178 | 103.9 Ų | 103.9 | 67% | 0.672 | 56% | 0.56 | S | S | * | * | trans | -91.5 | 115.6 | 163.1 | -80.1 | -172.9 | 174 | -170.4 | -2.4 | 107.6 | T361 L365 | T361-R363 PolarHBondContact O-N 3.21Å; R363-L365 PolarHBondContact O-N 3.39Å | ||
| 364 | P | 59.4 | Low | 53.6 | Low | 82 Ų | 82 | 104.1 Ų | 104.1 | 53% | 0.532 | 56% | 0.561 | S | S | . | * | trans | -59.1 | 128 | 176.2 | 22.3 | -31.7 | 0 | 0 | 0 | 110 | F366 | P364-F366 HydrophobicContact CB-CD2 4.18Å; P364-F366 HydrophobicContact CB-CE2 3.65Å; P364-F366 HydrophobicContact CB-CZ 4.15Å; P364-F366 HydrophobicContact CG-CD2 4.28Å; P364-F366 HydrophobicContact CG-CE2 3.6Å; P364-F366 HydrophobicContact CG-CZ 4.35Å; P364-F366 PolarHBondContact O-N 3.32Å | ||
| 365 | L | 57.6 | Low | 53.2 | Low | 39 Ų | 39 | 98.9 Ų | 98.9 | 20% | 0.204 | 54% | 0.542 | C | S | . | . | trans | -78.3 | 100 | 171.7 | -91.2 | 160.5 | 0 | 0 | 0 | 108.2 | V278 L305 R363 V367 | V278-L365 HydrophobicContact CG1-CD2 3.98Å; L305-L365 HydrophobicContact CD2-CD1 3.57Å; L305-L365 HydrophobicContact CD2-CG 4.46Å; R363-L365 PolarHBondContact O-N 3.39Å; L365-V367 HydrophobicContact CD2-CG2 4.5Å | ||
| 366 | F | 56 | Low | 52.5 | Low | 118 Ų | 118 | 99.3 Ų | 99.3 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 102.2 | 163.5 | -65.7 | -78.7 | 0 | 0 | 0 | 108.2 | P364 | P364-F366 HydrophobicContact CB-CD2 4.18Å; P364-F366 HydrophobicContact CB-CE2 3.65Å; P364-F366 HydrophobicContact CB-CZ 4.15Å; P364-F366 HydrophobicContact CG-CD2 4.28Å; P364-F366 HydrophobicContact CG-CE2 3.6Å; P364-F366 HydrophobicContact CG-CZ 4.35Å; P364-F366 PolarHBondContact O-N 3.32Å |
| 367 | V | 56.6 | Low | 52.1 | Low | 32 Ų | 32 | 101.8 Ų | 101.8 | 19% | 0.194 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 108.8 | 171.5 | -178 | 0 | 0 | 0 | 0 | 107.2 | L365 A369 Y377 | L365-V367 HydrophobicContact CD2-CG2 4.5Å; V367-A369 PolarHBondContact O-N 2.96Å; V367-Y377 HydrophobicContact CG2-CD2 4.46Å; V367-Y377 HydrophobicContact CG2-CE2 4.23Å |
| 368 | C | 48.2 | Very low | 51.2 | Low | 72 Ų | 72 | 100.6 Ų | 100.6 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 106.8 | 173.7 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 369 | A | 46.7 | Very low | 50.1 | Low | 60 Ų | 60 | 105.7 Ų | 105.7 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | trans | -75.6 | 143.5 | 161 | 0 | 0 | 0 | 0 | 0 | 109.1 | V367 S371 | V367-A369 PolarHBondContact O-N 2.96Å; A369-S371 PolarHBondContact O-N 2.79Å | ||
| 370 | Q | 50.2 | Low | 49.5 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -60.4 | 133.3 | 176.1 | -67.6 | -169.9 | -14.4 | 0 | 0 | 110 | E259 | E259-Q370 VanDerWaalsContact CB-NE2 3.35Å; E259-Q370 PolarHBondContact O-NE2 2.85Å |
| 371 | S | 45.3 | Very low | 48.7 | Very low | 100 Ų | 100 | 107.1 Ų | 107.1 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 80.3 | 84.5 | -171.3 | 80.1 | 0 | 0 | 0 | 0 | 115.9 | A369 Q373 | A369-S371 PolarHBondContact O-N 2.79Å; S371-Q373 PolarHBondContact O-N 3.36Å |
| 372 | T | 42.9 | Very low | 48 | Very low | 150 Ų | 150 | 107 Ų | 107 | 92% | 0.92 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 54.5 | -5 | 154.3 | 43.3 | 0 | 0 | 0 | 0 | 121.2 | ||
| 373 | Q | 38.3 | Very low | 47.1 | Very low | 150 Ų | 150 | 107.4 Ų | 107.4 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | trans | -111.5 | 99.2 | 177.3 | -73.3 | -179 | -4.2 | 0 | 0 | 110.1 | S371 V375 | S371-Q373 PolarHBondContact O-N 3.36Å; Q373-V375 PolarHBondContact O-N 3.1Å | ||
| 374 | C | 38.8 | Very low | 45.9 | Very low | 84 Ų | 84 | 104.8 Ų | 104.8 | 57% | 0.568 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73 | 115.4 | 161.8 | -60.6 | 0 | 0 | 0 | 0 | 107.1 | H376 | C374-H376 PolarHBondContact O-N 3.37Å |
| 375 | V | 45.6 | Very low | 44.8 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.6 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | Q373 Y377 | Q373-V375 PolarHBondContact O-N 3.1Å; V375-Y377 PolarHBondContact O-N 2.85Å |
| 376 | H | 42.6 | Very low | 43.7 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 57% | 0.574 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.1 | 116.1 | 169.9 | -167.9 | -76 | 0 | 0 | 0 | 107.9 | C374 P378 | C374-H376 PolarHBondContact O-N 3.37Å; H376-P378 WeakPolarHBondContact O-CD 3.16Å |
| 377 | Y | 50.8 | Low | 42.5 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 55% | 0.553 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.5 | 166.9 | -84.2 | -89.1 | 0 | 0 | 0 | 108 | V367 V375 E379 | V367-Y377 HydrophobicContact CG2-CD2 4.46Å; V367-Y377 HydrophobicContact CG2-CE2 4.23Å; V375-Y377 PolarHBondContact O-N 2.85Å; Y377-E379 PolarHBondContact O-N 2.97Å |
| 378 | P | 44.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134 | 178.3 | 23.8 | -31.5 | 0 | 0 | 0 | 109.7 | H376 V380 | H376-P378 WeakPolarHBondContact O-CD 3.16Å; P378-V380 PolarHBondContact O-N 2.87Å |
| 379 | E | 40.9 | Very low | 40.9 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 121.3 | 172.6 | -160.5 | 167 | -160.3 | 0 | 0 | 107.9 | Y377 D381 | Y377-E379 PolarHBondContact O-N 2.97Å; E379-D381 PolarHBondContact O-N 3.02Å |
| 380 | V | 48.8 | Very low | 40.2 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -81.5 | 110.6 | 178.9 | -179.8 | 0 | 0 | 0 | 0 | 108 | P378 S382 | P378-V380 PolarHBondContact O-N 2.87Å; V380-S382 PolarHBondContact O-N 3.26Å; V380-S382 VanDerWaalsContact O-N 3.13Å | ||
| 381 | D | 36.4 | Very low | 39.5 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | trans | -61.7 | 105.8 | 176.8 | -148.2 | -4.3 | 0 | 0 | 0 | 110 | E379 | E379-D381 PolarHBondContact O-N 3.02Š| ||
| 382 | S | 42.2 | Very low | 39.2 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -99.1 | 120 | 169.9 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | V380 | V380-S382 PolarHBondContact O-N 3.26Å; V380-S382 VanDerWaalsContact O-N 3.13Å |
| 383 | S | 37.5 | Very low | 38.8 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 161.9 | -174.5 | 82.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 384 | P | 34.6 | Very low | 39.1 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 123.6 | -145.5 | 33.9 | -33.4 | 0 | 0 | 0 | 113.2 | ||
| 385 | K | 37.5 | Very low | 39 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -123.6 | 104.5 | 148 | -73.7 | -171.1 | 179.7 | -179.4 | 0 | 108.7 | C387 | K385-C387 PolarHBondContact O-N 3.32Š| ||
| 386 | R | 33.2 | Very low | 39.1 | Very low | 246 Ų | 246 | 159.5 Ų | 159.5 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | -5 | 94.2 | 172 | -70.7 | 178 | 178.5 | -178 | -0.4 | 115.8 | ||||
| 387 | C | 30.5 | Very low | 39 | Very low | 109 Ų | 109 | 159.2 Ų | 159.2 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -98 | 101.6 | 151.6 | -83.7 | 0 | 0 | 0 | 0 | 108.2 | K385 I389 | K385-C387 PolarHBondContact O-N 3.32Å; C387-I389 PolarHBondContact O-N 2.98Å | ||
| 388 | R | 35.3 | Very low | 38.2 | Very low | 247 Ų | 247 | 158.2 Ų | 158.2 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 102.2 | 165.4 | -89.1 | -177.7 | 173.3 | 175 | -2.7 | 107.5 | ||||
| 389 | I | 36.6 | Very low | 37.8 | Very low | 137 Ų | 137 | 157.6 Ų | 157.6 | 70% | 0.703 | 81% | 0.813 | S | S | * | * | trans | -109 | 116 | 162.5 | -67.2 | 176.9 | 0 | 0 | 0 | 106.8 | C387 T391 | C387-I389 PolarHBondContact O-N 2.98Å; I389-T391 PolarHBondContact O-N 3.45Å | ||
| 390 | M | 32.3 | Very low | 37.5 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | -71 | 107.2 | 168 | -86.5 | -167.2 | 130 | 0 | 0 | 108.6 | ||||
| 391 | T | 36.1 | Very low | 36.8 | Very low | 113 Ų | 113 | 157.8 Ų | 157.8 | 69% | 0.693 | 82% | 0.824 | S | S | * | * | trans | -98.9 | 108.3 | 170.8 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | I389 L393 | I389-T391 PolarHBondContact O-N 3.45Å; T391-L393 PolarHBondContact O-N 2.02Å | ||
| 392 | L | 37.4 | Very low | 36.6 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -70.4 | 105.5 | 166.8 | -106.1 | 147.6 | 0 | 0 | 0 | 109.1 | ||||
| 393 | L | 35.6 | Very low | 36.3 | Very low | 160 Ų | 160 | 165.1 Ų | 165.1 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | trans | -76 | 115.7 | 170.1 | -80.3 | 158.6 | 0 | 0 | 0 | 110 | T391 | T391-L393 PolarHBondContact O-N 2.02Š| ||
| 394 | R | 43.3 | Very low | 35.9 | Very low | 243 Ų | 243 | 166.3 Ų | 166.3 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | trans | -112.2 | 124.6 | 155.8 | -91.4 | -172.9 | -179.5 | 175.7 | 1.2 | 109.9 | ||||
| 395 | R | 37.3 | Very low | 36.1 | Very low | 243 Ų | 243 | 167.5 Ų | 167.5 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | trans | -60.6 | 139.5 | 178.8 | -61.8 | 170.9 | 172.5 | -176.8 | -3.9 | 111.9 | ||||
| 396 | L | 47.2 | Very low | 35.9 | Very low | 172 Ų | 172 | 169.7 Ų | 169.7 | 90% | 0.901 | 85% | 0.848 | S | S | * | * | trans | -146.3 | 145.1 | 143.4 | -86.5 | 176.1 | 0 | 0 | 0 | 109.9 | ||||
| 397 | P | 41.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -94.6 | 168 | -164.3 | 38.3 | -34.4 | 0 | 0 | 0 | 114.4 | ||||
| 398 | S | 34.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 168.5 Ų | 168.5 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | trans | -63.8 | 164.6 | -168.3 | -45.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 399 | A | 35.1 | Very low | 36.6 | Very low | 92 Ų | 92 | 162.5 Ų | 162.5 | 76% | 0.76 | 85% | 0.846 | S | S | * | * | trans | 91.6 | 103.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 400 | V | 35.2 | Very low | 36.8 | Very low | 144 Ų | 144 | 165.1 Ų | 165.1 | 87% | 0.873 | 85% | 0.853 | S | S | * | * | trans | -136.2 | 114.8 | 139.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 401 | T | 34.8 | Very low | 37 | Very low | 137 Ų | 137 | 164.3 Ų | 164.3 | 84% | 0.84 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.2 | 172.1 | 16 | 0 | 0 | 0 | 0 | 110.2 | ||
| 402 | M | 30.8 | Very low | 37.2 | Very low | 192 Ų | 192 | 168.1 Ų | 168.1 | 95% | 0.946 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 118.9 | 165.6 | -87.1 | -164.6 | -171.1 | 0 | 0 | 110.2 | ||
| 403 | K | 35.5 | Very low | 37.2 | Very low | 197 Ų | 197 | 164.6 Ų | 164.6 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 120.2 | 170.2 | -125.1 | 178 | -176 | 178.3 | 0 | 109 | ||
| 404 | T | 29.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 165.1 Ų | 165.1 | 84% | 0.84 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.5 | 169.7 | -43.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 405 | I | 39.3 | Very low | 37 | Very low | 149 Ų | 149 | 157.9 Ų | 157.9 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | trans | -120.7 | 111.4 | 167.3 | -63 | 180 | 0 | 0 | 0 | 108.7 | ||||
| 406 | R | 33.6 | Very low | 36.9 | Very low | 248 Ų | 248 | 155.7 Ų | 155.7 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | trans | -64.6 | 130 | 158.6 | -82.6 | 175.2 | 167.4 | 170.9 | -3.9 | 108.4 | ||||
| 407 | G | 37.8 | Very low | 36.4 | Very low | 72 Ų | 72 | 152.8 Ų | 152.8 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -158.8 | 102 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 408 | R | 37.9 | Very low | 36 | Very low | 257 Ų | 257 | 152 Ų | 152 | 97% | 0.97 | 83% | 0.828 | S | S | * | * | trans | -55.7 | 139.7 | 164.2 | -74.2 | 171.5 | 167.9 | 171 | -4.7 | 109.3 | ||||
| 409 | S | 38 | Very low | 36.2 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -149.4 | 137.7 | 150.7 | -165.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 410 | K | 40.4 | Very low | 36.3 | Very low | 192 Ų | 192 | 158.6 Ų | 158.6 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -81.6 | 158.2 | 176.8 | -74.5 | 175.2 | 172 | 180 | 0 | 110.2 | ||||
| 411 | Q | 36 | Very low | 36.5 | Very low | 176 Ų | 176 | 158 Ų | 158 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -13.8 | 131.6 | 156.9 | -66.1 | 166.2 | -24.7 | 0 | 0 | 115.8 | ||||
| 412 | H | 41.3 | Very low | 36.5 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | -166.6 | 134.5 | 124.3 | -99.9 | -70.7 | 0 | 0 | 0 | 110.6 | |||||
| 413 | A | 36 | Very low | 36.8 | Very low | 93 Ų | 93 | 156.9 Ų | 156.9 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -74.7 | 137.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 414 | I | 41.3 | Very low | 36.9 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -143.4 | 129.7 | 154.5 | -61.3 | -175.2 | 0 | 0 | 0 | 108.6 | ||||
| 415 | S | 33.7 | Very low | 37.1 | Very low | 90 Ų | 90 | 157.4 Ų | 157.4 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | trans | -88 | 163.4 | 179.6 | 81.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 416 | K | 36.6 | Very low | 36.9 | Very low | 198 Ų | 198 | 158.6 Ų | 158.6 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | 72.3 | 116.7 | 155 | -66.2 | 174.7 | -178.4 | -176.4 | 0 | 117.1 | ||||
| 417 | S | 35.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | -178.6 | 135.5 | 94.3 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 418 | S | 32.4 | Very low | 36.7 | Very low | 102 Ų | 102 | 158.8 Ų | 158.8 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | trans | -68.2 | 136.4 | 175.5 | 33.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 419 | H | 40.5 | Very low | 36.7 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -122.2 | 115.9 | 154.6 | -92.5 | -74.2 | 0 | 0 | 0 | 110.3 | ||||
| 420 | L | 36.1 | Very low | 36.6 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -57.8 | 130.2 | 165.4 | -77.3 | 140.3 | 0 | 0 | 0 | 110.4 | ||||
| 421 | V | 40.4 | Very low | 36.3 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -126.6 | 117.4 | 152.3 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 422 | N | 34.4 | Very low | 36.1 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -89.2 | 119.1 | -178.5 | -160.7 | -11.5 | 0 | 0 | 0 | 107.4 | ||||
| 423 | L | 37.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -133 | 106.6 | 165.2 | -97.1 | 165.8 | 0 | 0 | 0 | 109.3 | ||||
| 424 | T | 36.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | trans | -78.7 | 156.1 | 177.4 | -9.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 425 | R | 35 | Very low | 35.1 | Very low | 232 Ų | 232 | 151.8 Ų | 151.8 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | 86.9 | 104.6 | 163.2 | -60.4 | 178.9 | 175 | -167.1 | -1.5 | 117.2 | ||||
| 426 | L | 34.5 | Very low | 35 | Very low | 175 Ų | 175 | 158.1 Ų | 158.1 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | -164.3 | 124.8 | 103.8 | -99.1 | 151.7 | 0 | 0 | 0 | 110.5 | |||||
| 427 | K | 34.1 | Very low | 34.8 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 138.3 | 174.4 | -68.9 | 174 | 173 | 179.6 | 0 | 109.7 | ||||
| 428 | C | 33.3 | Very low | 34.5 | Very low | 137 Ų | 137 | 156.3 Ų | 156.3 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -149.5 | 144.2 | 144.1 | -89.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 429 | I | 37.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 159.7 Ų | 159.7 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -107.1 | 126 | -154.9 | -80.8 | 166.6 | 0 | 0 | 0 | 109.1 | ||||
| 430 | Q | 34.8 | Very low | 34.1 | Very low | 173 Ų | 173 | 159 Ų | 159 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | 54.4 | 168.8 | 140.1 | -63.3 | -115.6 | -27.9 | 0 | 0 | 121.5 | ||||
| 431 | P | 35.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -125.9 | 173.8 | -30.8 | 25.4 | -4 | 0 | 0 | 0 | 113.2 | ||||
| 432 | T | 30.7 | Very low | 33.4 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 140.1 | 176.8 | 36.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 433 | L | 31.7 | Very low | 33.2 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -122.8 | 109.8 | 164.5 | -117.3 | 150.9 | 0 | 0 | 0 | 108.5 | V435 | L433-V435 PolarHBondContact O-N 3.07Š| ||
| 434 | K | 34 | Very low | 33.2 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -69.1 | 108.8 | 166.6 | -85.8 | 177.4 | 174.9 | 172.7 | 0 | 107.9 | ||||
| 435 | V | 33.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -103.3 | 115.7 | 163.3 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | L433 A437 | L433-V435 PolarHBondContact O-N 3.07Å; V435-A437 PolarHBondContact O-N 2.61Å | ||
| 436 | R | 30.4 | Very low | 32.7 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 96.6 | 166.4 | -164.2 | -177.7 | -158.3 | 175.2 | 3.9 | 106.9 | ||||
| 437 | A | 32.9 | Very low | 32.7 | Very low | 76 Ų | 76 | 142 Ų | 142 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | trans | -94.5 | 105.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V435 M439 | V435-A437 PolarHBondContact O-N 2.61Å; A437-M439 PolarHBondContact O-N 2.99Å | ||
| 438 | Y | 28.6 | Very low | 32.5 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -55.2 | 123.9 | 145.9 | -80.1 | -104.1 | 0 | 0 | 0 | 106.9 | ||||
| 439 | M | 31.6 | Very low | 32.2 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -116.4 | 87.5 | 159.8 | -69.7 | -161.1 | 82.6 | 0 | 0 | 107 | A437 | A437-M439 PolarHBondContact O-N 2.99Š| ||
| 440 | E | 32.6 | Very low | 31.7 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -57.9 | 149.2 | 149 | -80.7 | 173.7 | 143.9 | 0 | 0 | 109.5 | A442 | E440-A442 PolarHBondContact O-N 2.77Š| ||
| 441 | A | 28 | Very low | 31.3 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -52.6 | 115.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 442 | A | 33.9 | Very low | 30.8 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -109.3 | 90.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | E440 S444 | E440-A442 PolarHBondContact O-N 2.77Å; A442-S444 PolarHBondContact O-N 2.65Å | ||
| 443 | D | 31 | Very low | 30.8 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -53.8 | 109.2 | 155.2 | -153.6 | 2.7 | 0 | 0 | 0 | 107.6 | ||||
| 444 | S | 36.6 | Very low | 30.7 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | -166.8 | 118.4 | 163 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | A442 G446 | A442-S444 PolarHBondContact O-N 2.65Å; S444-G446 PolarHBondContact O-N 2.98Å | ||
| 445 | S | 31.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -45.4 | 96.4 | 164.4 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 446 | G | 30.4 | Very low | 30.5 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -97.1 | 56.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S444 | S444-G446 PolarHBondContact O-N 2.98Š| ||
| 447 | L | 34 | Very low | 30.6 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 63% | 0.634 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 139 | 159.4 | -80.9 | 164.6 | 0 | 0 | 0 | 107.5 | K449 | L447-K449 PolarHBondContact O-N 2.64Š| ||
| 448 | P | 29.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -59.5 | 109.6 | 162.9 | 25.6 | -29.9 | 0 | 0 | 0 | 106.6 | I450 | P448-I450 PolarHBondContact O-N 2.88Š| ||
| 449 | K | 27.5 | Very low | 30.7 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | trans | -59.1 | 108.4 | 164.3 | -76.2 | -177.7 | 170.4 | 176.7 | 0 | 106 | L447 V451 | L447-K449 PolarHBondContact O-N 2.64Å; K449-V451 HydrophobicContact CB-CG2 3.53Å; K449-V451 HydrophobicContact CD-CG2 4.14Å; K449-V451 HydrophobicContact CG-CG2 4.43Å; K449-V451 PolarHBondContact O-N 3Å | ||
| 450 | I | 26.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 56% | 0.559 | 78% | 0.78 | S | S | * | * | trans | -69.2 | 86.2 | 159.2 | -59.4 | 174.5 | 0 | 0 | 0 | 104.7 | P448 F452 | P448-I450 PolarHBondContact O-N 2.88Å; I450-F452 HydrophobicContact CG2-CD2 4.34Å; I450-F452 HydrophobicContact CG2-CE2 3.99Å | ||
| 451 | V | 27 | Very low | 30.8 | Very low | 103 Ų | 103 | 139 Ų | 139 | 62% | 0.624 | 78% | 0.781 | S | S | * | * | trans | -91.3 | 111.1 | 171.1 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | K449 Q453 | K449-V451 HydrophobicContact CB-CG2 3.53Å; K449-V451 HydrophobicContact CD-CG2 4.14Å; K449-V451 HydrophobicContact CG-CG2 4.43Å; K449-V451 PolarHBondContact O-N 3Å; V451-Q453 PolarHBondContact O-N 3.31Å | ||
| 452 | F | 25.2 | Very low | 31.2 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -70.7 | 102.8 | 157.7 | -72.1 | -90.4 | 0 | 0 | 0 | 107.5 | I450 | I450-F452 HydrophobicContact CG2-CD2 4.34Å; I450-F452 HydrophobicContact CG2-CE2 3.99Å | ||
| 453 | Q | 31.2 | Very low | 31.3 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 162 | 127.3 | 146.3 | -89.7 | 166.1 | -0.8 | 0 | 0 | 111.9 | V451 | V451-Q453 PolarHBondContact O-N 3.31Š| ||
| 454 | H | 29 | Very low | 31.3 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | trans | -81.9 | 136.2 | 167.9 | -95.4 | -50.8 | 0 | 0 | 0 | 110.8 | ||||
| 455 | L | 32 | Very low | 31.2 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -157.3 | 153.1 | 138.6 | -89.1 | -179.4 | 0 | 0 | 0 | 110.1 | ||||
| 456 | P | 31.2 | Very low | 31.3 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -113.6 | 162.1 | -158.8 | 40.1 | -29.7 | 0 | 0 | 0 | 117 | ||||
| 457 | K | 31.8 | Very low | 31.3 | Very low | 209 Ų | 209 | 142.9 Ų | 142.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 63.3 | 124.1 | 151.5 | -71.5 | 177.2 | -177.9 | -177.7 | 0 | 121 | ||||
| 458 | A | 34.7 | Very low | 31.3 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | -173.9 | 145.3 | 118.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 459 | S | 30.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -82.7 | 161 | -174.5 | 60.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 460 | R | 35.5 | Very low | 32 | Very low | 246 Ų | 246 | 145.8 Ų | 145.8 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | -171.1 | 143.6 | 127.4 | -101.7 | 170.1 | -152.5 | -159.6 | 6.9 | 112.5 | |||||
| 461 | N | 30.4 | Very low | 32.4 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -76.8 | 162.1 | -175.1 | -62.3 | -47.8 | 0 | 0 | 0 | 114.1 | ||||
| 462 | L | 36.6 | Very low | 33 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | trans | -176.5 | 101.7 | 140.5 | -113.6 | 99.2 | 0 | 0 | 0 | 107.2 | ||||
| 463 | S | 35.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 152 Ų | 152 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | 72.9 | 102.1 | 85.1 | 73.5 | 0 | 0 | 0 | 0 | 117 | |||||
| 464 | S | 31.9 | Very low | 34.2 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 52.9 | 124.3 | 130.4 | 52.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 465 | A | 34 | Very low | 34.5 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -157 | 157 | 139.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 466 | T | 33.3 | Very low | 34.9 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -129.7 | 134.3 | -144.8 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 467 | V | 29.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | 57.9 | 128.1 | 141.7 | -171.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 468 | L | 35.3 | Very low | 35.5 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | 175.4 | 125.6 | 116.2 | -91.9 | 168.7 | 0 | 0 | 0 | 111.5 | |||||
| 469 | S | 31 | Very low | 35.6 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -89.6 | 160.1 | 177.9 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 470 | K | 39.6 | Very low | 36.2 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -149.8 | 123.6 | 154.3 | -149.5 | 169.8 | -172 | 173.2 | 0 | 111.2 | ||||
| 471 | D | 36.9 | Very low | 36.4 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -74.6 | 151.4 | -179.1 | -59.1 | -60 | 0 | 0 | 0 | 113.1 | ||||
| 472 | Y | 39.3 | Very low | 36.9 | Very low | 240 Ų | 240 | 146.2 Ų | 146.2 | 94% | 0.941 | 81% | 0.806 | S | S | * | * | trans | -149 | 124.6 | 144.2 | -146.1 | -93.7 | 0 | 0 | 0 | 110.2 | ||||
| 473 | L | 39.5 | Very low | 37 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -99.4 | 172.8 | -173.8 | -101.6 | 158.9 | 0 | 0 | 0 | 111.5 | ||||
| 474 | D | 40.5 | Very low | 37.4 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | 89.5 | 109.8 | 164.6 | -68.7 | -22.5 | 0 | 0 | 0 | 118.5 | ||||
| 475 | S | 36.9 | Very low | 37.9 | Very low | 95 Ų | 95 | 151 Ų | 151 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | cis | 95.2 | 105.8 | 48.9 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 476 | K | 39.4 | Very low | 38.2 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | 172 | 121.7 | 111.1 | -91.3 | -166.7 | 177.3 | -178.5 | 0 | 111.5 | |||||
| 477 | Q | 35.1 | Very low | 38.5 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 149.7 | 161 | -84.3 | 162.8 | -41.9 | 0 | 0 | 110.8 | ||||
| 478 | G | 40.5 | Very low | 38.9 | Very low | 80 Ų | 80 | 154 Ų | 154 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -152 | 101.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 479 | S | 37.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 154.8 Ų | 154.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -74.3 | 143 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 480 | Y | 43 | Very low | 39.7 | Very low | 234 Ų | 234 | 157.1 Ų | 157.1 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | trans | -131.7 | 114 | 155.8 | -114.4 | -90.6 | 0 | 0 | 0 | 108.9 | ||||
| 481 | E | 38.8 | Very low | 39.5 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -92.2 | 136.9 | 164.9 | -101.6 | 179.1 | 146.4 | 0 | 0 | 108.9 | ||||
| 482 | S | 41.2 | Very low | 39.6 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 164.6 | 107.2 | 140.5 | 35.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 483 | L | 38.8 | Very low | 39.3 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 60.3 | 106.8 | 91.2 | -85.8 | 155 | 0 | 0 | 0 | 113.5 | |||||
| 484 | H | 44.2 | Very low | 39.2 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | -176.9 | 142.6 | 106.6 | -100.6 | -77.8 | 0 | 0 | 0 | 113.5 | |||||
| 485 | H | 42.8 | Very low | 38.9 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -15.5 | 135.9 | 164.1 | -75.5 | -16 | 0 | 0 | 0 | 120.1 | ||||
| 486 | N | 39.2 | Very low | 38.8 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | 93.9 | 136.8 | 63.5 | -117.8 | 2.8 | 0 | 0 | 0 | 113.3 | |||||
| 487 | E | 40 | Very low | 38.4 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | 78.1 | 112.2 | 167.9 | -61.7 | -174.2 | 147.4 | 0 | 0 | 116.9 | ||||
| 488 | A | 37.8 | Very low | 38.3 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | cis | 105.8 | 134.9 | 49.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 489 | K | 41.9 | Very low | 37.9 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | 94.9 | 113.1 | 159.7 | -61.7 | -178.5 | -179.8 | 174.9 | 0 | 119.1 | ||||
| 490 | N | 41.5 | Very low | 37.9 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 84% | 0.839 | S | S | * | * | 69.2 | 106.7 | 127.2 | -59.6 | -8.7 | 0 | 0 | 0 | 119.2 | |||||
| 491 | G | 35.9 | Very low | 37.6 | Very low | 77 Ų | 77 | 149.7 Ų | 149.7 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | 90.8 | 127.3 | 108.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 492 | A | 38.4 | Very low | 37.5 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | trans | 82.3 | 100.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 493 | F | 32.9 | Very low | 37.3 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | 31.7 | 111.3 | 123.9 | -85.1 | -93 | 0 | 0 | 0 | 118.2 | |||||
| 494 | A | 37.8 | Very low | 37.2 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | -169.1 | 132.9 | 122.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 495 | L | 32.9 | Very low | 36.8 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 96% | 0.958 | 85% | 0.848 | S | S | * | * | trans | -60.9 | 136 | 174.6 | -74.3 | 142 | 0 | 0 | 0 | 111.5 | ||||
| 496 | G | 35.6 | Very low | 36.4 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | trans | -160.4 | 100.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 497 | M | 30.6 | Very low | 36.2 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 93% | 0.931 | 86% | 0.862 | S | S | * | * | trans | -66.8 | 132.4 | 173.5 | -61.7 | -163.2 | -156.5 | 0 | 0 | 110.7 | ||||
| 498 | V | 33.8 | Very low | 35.9 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 82% | 0.824 | 86% | 0.863 | S | S | * | * | trans | -143.4 | 118.4 | 148.8 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 499 | Q | 30.8 | Very low | 35.8 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 88% | 0.875 | S | S | * | * | trans | -69.8 | 137.4 | 164.5 | -87.2 | 165.1 | -91.1 | 0 | 0 | 109.7 | ||||
| 500 | I | 37.2 | Very low | 35.2 | Very low | 237 Ų | 237 | 148.9 Ų | 148.9 | 100% | 1.215 | 88% | 0.882 | S | S | * | * | trans | -102.3 | 0 | 147.6 | -61.8 | 175.9 | 0 | 0 | 0 | 106.2 |
Retrieved 500 of 500 residues in 639.3 ms
(Link to these results)