| 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 | 56.4 | Low | 64.1 | Low | 248 Ų | 248 | 145.5 Ų | 145.5 | 100% | 1.222 | 85% | 0.852 | S | S | * | * | 0 | 122.3 | 0 | -79 | 171.6 | 175.9 | 0 | 0 | 106.6 | |||||
| 2 | E | 46.6 | Very low | 63.1 | Low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -48.2 | 139.7 | -170.4 | -133.1 | 109.6 | 115.2 | 0 | 0 | 114.7 | ||||
| 3 | A | 69.5 | Low | 61.7 | Low | 94 Ų | 94 | 146.4 Ų | 146.4 | 78% | 0.777 | 86% | 0.857 | S | S | * | * | trans | -122.1 | 106.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | S | 72.6 | Confident | 60.4 | Low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 86% | 0.855 | S | S | * | * | trans | -74.1 | 117.4 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | N | 76.2 | Confident | 59.6 | Low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | -104.5 | 121.4 | 162 | -80.3 | -29.5 | 0 | 0 | 0 | 108.7 | ||||
| 6 | N | 68.4 | Low | 59 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 85% | 0.854 | S | S | * | * | trans | -93.4 | 106.1 | 176.9 | 178.5 | 13.8 | 0 | 0 | 0 | 108.2 | ||||
| 7 | E | 68.1 | Low | 57.9 | Low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -100 | 123.3 | 168.8 | -83.5 | -178.4 | 94.7 | 0 | 0 | 109.6 | ||
| 8 | S | 62.5 | Low | 57.2 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.4 | -179.1 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 9 | A | 65.3 | Low | 56.5 | Low | 91 Ų | 91 | 130.5 Ų | 130.5 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 10 | P | 66.8 | Low | 56.5 | Low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 123 | 160.5 | 31.1 | -29.2 | 0 | 0 | 0 | 110.2 | A12 | P10-A12 PolarHBondContact O-N 3.3Š|
| 11 | T | 53.1 | Low | 56.2 | Low | 146 Ų | 146 | 129.5 Ų | 129.5 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | trans | -58.6 | 116 | 168.6 | 30.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | A | 52.4 | Low | 55.3 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -82.5 | 113.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P10 A14 | P10-A12 PolarHBondContact O-N 3.3Å; A12-A14 PolarHBondContact O-N 3.37Å | ||
| 13 | E | 44.8 | Very low | 55.1 | Low | 203 Ų | 203 | 116.5 Ų | 116.5 | 95% | 0.949 | 83% | 0.825 | S | S | * | * | trans | -71 | 116 | 164 | -99.7 | -163 | 133.3 | 0 | 0 | 109.5 | ||||
| 14 | A | 43.6 | Very low | 53.8 | Low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -91 | 126.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A12 | A12-A14 PolarHBondContact O-N 3.37Š| ||
| 15 | A | 48.5 | Very low | 52.2 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | -154 | 109.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 16 | A | 49.2 | Very low | 51.1 | Low | 108 Ų | 108 | 123.5 Ų | 123.5 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | 44.2 | 125.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 17 | G | 40.5 | Very low | 50 | Low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | cis | 128.5 | 96.8 | 24.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 18 | S | 44.9 | Very low | 49.4 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -176.3 | 90.8 | 150.8 | -118.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | G | 45.2 | Very low | 49.3 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 84% | 0.835 | S | S | * | * | trans | -83 | 145.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A21 | G19-A21 PolarHBondContact O-N 3.19Š| ||
| 20 | P | 56.6 | Low | 49.2 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | trans | -73.9 | 111.6 | 178.5 | 29.2 | -31.4 | 0 | 0 | 0 | 110 | ||||
| 21 | A | 48.5 | Very low | 49 | Very low | 103 Ų | 103 | 125 Ų | 125 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -71.2 | 127.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G19 | G19-A21 PolarHBondContact O-N 3.19Š| ||
| 22 | G | 37.6 | Very low | 49.7 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | 63.8 | 96.8 | 129.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 23 | G | 43.1 | Very low | 50.8 | Low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -156.9 | 59.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 24 | E | 41.4 | Very low | 52.4 | Low | 200 Ų | 200 | 115.5 Ų | 115.5 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | trans | -58 | 132.1 | 171 | -119.9 | 86.1 | 89.2 | 0 | 0 | 110.1 | ||||
| 25 | G | 39.8 | Very low | 54 | Low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 114.3 | 70.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 26 | R | 53.3 | Low | 55.7 | Low | 243 Ų | 243 | 114.6 Ų | 114.6 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | trans | -168.5 | 106.7 | 142.4 | -97.4 | 152.7 | -163.7 | -155.8 | 6.2 | 107.5 | G28 | R26-G28 PolarHBondContact O-N 2.98Š| ||
| 27 | K | 45.6 | Very low | 57.2 | Low | 235 Ų | 235 | 111.6 Ų | 111.6 | 100% | 1.022 | 70% | 0.7 | S | S | * | * | trans | -64.2 | 74 | 162.7 | -86.6 | 176.5 | 172.7 | 175.1 | 0 | 108.3 | ||||
| 28 | G | 54.7 | Low | 59.2 | Low | 56 Ų | 56 | 110.4 Ų | 110.4 | 58% | 0.577 | 69% | 0.687 | S | S | * | * | trans | -111.3 | 133.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | R26 A30 | R26-G28 PolarHBondContact O-N 2.98Å; G28-A30 PolarHBondContact O-N 3.15Å | ||
| 29 | K | 61.2 | Low | 61.2 | Low | 209 Ų | 209 | 111.5 Ų | 111.5 | 91% | 0.909 | 68% | 0.676 | S | S | * | * | trans | -33.4 | 125.3 | -179.4 | -69.7 | 171.6 | 175.3 | -178.7 | 0 | 112.1 | ||||
| 30 | A | 62.1 | Low | 63.1 | Low | 85 Ų | 85 | 111.5 Ų | 111.5 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | trans | -45.4 | 136.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G28 K32 | G28-A30 PolarHBondContact O-N 3.15Å; A30-K32 PolarHBondContact O-N 3.15Å; A30-K32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | P | 63.1 | Low | 64.7 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | trans | -56.3 | 125.4 | -179.9 | 24 | -32.4 | 0 | 0 | 0 | 108 | G33 | P31-G33 PolarHBondContact O-N 3.26Š| ||
| 32 | K | 68 | Low | 66.8 | Low | 223 Ų | 223 | 112.8 Ų | 112.8 | 97% | 0.97 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -71.7 | 54.8 | -175.1 | -165.5 | 89.2 | 175.1 | -179.8 | 0 | 111.3 | A30 | A30-K32 PolarHBondContact O-N 3.15Å; A30-K32 VanDerWaalsContact O-N 3.11Å |
| 33 | G | 74.8 | Confident | 69.5 | Low | 22 Ų | 22 | 113.5 Ų | 113.5 | 23% | 0.227 | 60% | 0.6 | C | S | . | * | S | Bend | trans | 177.1 | -177.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P31 N37 | P31-G33 PolarHBondContact O-N 3.26Å; G33-N37 VanDerWaalsContact C-ND2 3.33Å; G33-N37 VanDerWaalsContact CA-ND2 3.34Å; G33-N37 WeakPolarHBondContact CA-ND2 3.49Å |
| 34 | G | 78.6 | Confident | 72 | Confident | 3 Ų | 3 | 111.1 Ų | 111.1 | 3% | 0.031 | 58% | 0.576 | C | S | . | * | trans | -63.1 | 162.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E36 N37 Q47 R48 | G34-E36 PolarHBondContact O-N 2.85Å; G34-N37 PolarHBondContact N-ND2 3.18Å; G34-N37 PolarHBondContact O-N 3.13Å; G34-N37 PolarHBondContact O-ND2 3.24Å; G34-Q47 PolarHBondContact N-O 3.06Å; G34-R48 VanDerWaalsContact CA-O 3.27Å; G34-R48 WeakPolarHBondContact CA-O 3.17Å; G34-R48 PolarHBondContact N-O 2.74Å | ||
| 35 | P | 78 | Confident | 74.5 | Confident | 112 Ų | 112 | 102.4 Ų | 102.4 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.4 | -170.8 | 25 | -33.5 | 0 | 0 | 0 | 114.5 | ||
| 36 | E | 82.9 | Confident | 77.1 | Confident | 66 Ų | 66 | 103.4 Ų | 103.4 | 31% | 0.308 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 0.5 | -173 | -52.7 | -179.5 | 138.3 | 0 | 0 | 113.6 | G34 G38 K39 F40 Q47 W53 | G34-E36 PolarHBondContact O-N 2.85Å; E36-G38 PolarHBondContact O-N 2.95Å; E36-K39 HydrophobicContact CB-CD 4.28Å; E36-K39 HydrophobicContact CG-CD 4.37Å; E36-K39 WeakPolarHBondContact O-CB 3.23Å; E36-K39 PolarHBondContact O-N 3.28Å; E36-F40 HydrophobicContact CB-CD2 4.35Å; E36-F40 PolarHBondContact O-N 2.85Å; E36-Q47 VanDerWaalsContact CB-OE1 3.25Å; E36-Q47 PolarHBondContact OE2-NE2 2.96Å; E36-W53 HydrophobicContact CB-CH2 4.04Å; E36-W53 HydrophobicContact CB-CZ2 3.83Å |
| 37 | N | 81.7 | Confident | 79.1 | Confident | 46 Ų | 46 | 92.2 Ų | 92.2 | 25% | 0.246 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.4 | 175.4 | -81.2 | -30.9 | 0 | 0 | 0 | 113.7 | G33 G34 Q47 | G33-N37 VanDerWaalsContact C-ND2 3.33Å; G33-N37 VanDerWaalsContact CA-ND2 3.34Å; G33-N37 WeakPolarHBondContact CA-ND2 3.49Å; G34-N37 PolarHBondContact N-ND2 3.18Å; G34-N37 PolarHBondContact O-N 3.13Å; G34-N37 PolarHBondContact O-ND2 3.24Å; N37-Q47 PolarHBondContact ND2-O 2.73Å; N37-Q47 WeakPolarHBondContact OD1-CA 3.35Å; N37-Q47 WeakPolarHBondContact OD1-CB 3.34Å; N37-Q47 PolarHBondContact OD1-N 3.46Å |
| 38 | G | 82.5 | Confident | 81.3 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E36 R41 | E36-G38 PolarHBondContact O-N 2.95Å; G38-R41 PolarHBondContact O-NE 3.49Å |
| 39 | K | 86.9 | Confident | 83 | Confident | 151 Ų | 151 | 90.1 Ų | 90.1 | 66% | 0.657 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -44.2 | -172.9 | -54.9 | 174.9 | -174.3 | 177.9 | 0 | 111.3 | E36 | E36-K39 HydrophobicContact CB-CD 4.28Å; E36-K39 HydrophobicContact CG-CD 4.37Å; E36-K39 WeakPolarHBondContact O-CB 3.23Å; E36-K39 PolarHBondContact O-N 3.28Å |
| 40 | F | 85.3 | Confident | 84.3 | Confident | 66 Ų | 66 | 90 Ų | 90 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | trans | -114.1 | 91.6 | -177.4 | -57.3 | -79.2 | 0 | 0 | 0 | 111 | E36 Y42 W53 A74 E75 | E36-F40 HydrophobicContact CB-CD2 4.35Å; E36-F40 PolarHBondContact O-N 2.85Å; F40-Y42 HydrophobicContact CB-CD2 4.07Å; F40-Y42 HydrophobicContact CB-CE2 3.9Å; F40-Y42 AromaticContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CG-CE2 4.31Å; F40-Y42 PolarHBondContact O-N 2.75Å; F40-W53 HydrophobicContact CB-CH2 3.68Å; F40-W53 HydrophobicContact CB-CZ2 4.47Å; F40-W53 HydrophobicContact CB-CZ3 4.1Å; F40-W53 AromaticContact CD2-CH2 3.84Å; F40-W53 HydrophobicContact CD2-CH2 3.84Å; F40-W53 AromaticContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CG-CH2 4.18Å; F40-A74 HydrophobicContact CB-CB 3.68Å; F40-A74 HydrophobicContact CD1-CB 4.14Å; F40-A74 HydrophobicContact CD2-CB 4.12Å; F40-A74 HydrophobicContact CG-CB 3.73Å; F40-E75 WeakPolarHBondContact CE1-OE1 3.49Å | ||
| 41 | R | 88.9 | Confident | 85.6 | Confident | 214 Ų | 214 | 87.3 Ų | 87.3 | 81% | 0.808 | 44% | 0.436 | S | S | * | . | trans | -97.1 | 59.6 | -179.6 | -63.4 | -176.8 | 179.5 | -151.8 | -1.4 | 111.7 | G38 | G38-R41 PolarHBondContact O-NE 3.49Š| ||
| 42 | Y | 94.3 | Very high | 87.1 | Confident | 55 Ų | 55 | 87 Ų | 87 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | trans | -77.2 | 142.7 | 174.1 | -60 | -63.2 | 0 | 0 | 0 | 111.2 | F40 G44 V45 A74 A78 N96 L97 | F40-Y42 HydrophobicContact CB-CD2 4.07Å; F40-Y42 HydrophobicContact CB-CE2 3.9Å; F40-Y42 AromaticContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CG-CE2 4.31Å; F40-Y42 PolarHBondContact O-N 2.75Å; Y42-G44 PolarHBondContact O-N 3.45Å; Y42-V45 PolarHBondContact O-N 2.74Å; Y42-A74 HydrophobicContact CD2-CB 4.01Å; Y42-A74 HydrophobicContact CE2-CB 3.79Å; Y42-A78 HydrophobicContact CD1-CB 3.99Å; Y42-A78 HydrophobicContact CD2-CB 3.84Å; Y42-A78 HydrophobicContact CE1-CB 4.46Å; Y42-A78 HydrophobicContact CE2-CB 4.33Å; Y42-A78 HydrophobicContact CG-CB 3.65Å; Y42-N96 HydrophobicContact CD1-CB 3.89Å; Y42-L97 HydrophobicContact CE1-CD2 4.02Å | ||
| 43 | R | 93.7 | Very high | 88.4 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 131.5 | 177.6 | -175.2 | 174.7 | 57.9 | -82.8 | -21.9 | 109.5 | V45 Y81 H94 N96 | R43-V45 PolarHBondContact O-N 2.9Å; R43-Y81 HydrophobicContact CB-CE1 4.25Å; R43-Y81 WeakPolarHBondContact CD-OH 3.43Å; R43-Y81 HydrophobicContact CG-CE1 4.03Å; R43-Y81 PolarHBondContact NE-OH 3.31Å; R43-Y81 WeakPolarHBondContact O-CD1 3.48Å; R43-Y81 WeakPolarHBondContact O-CD2 3.36Å; R43-Y81 VanDerWaalsContact O-CG 3.28Å; R43-H94 PolarHBondContact NH2-O 3.49Å; R43-N96 VanDerWaalsContact CB-OD1 3.27Å; R43-N96 WeakPolarHBondContact CB-OD1 3.4Å; R43-N96 PolarHBondContact N-OD1 2.99Å; R43-N96 PolarHBondContact O-ND2 3.31Å; R43-N96 VanDerWaalsContact O-ND2 3.07Å |
| 44 | G | 94.4 | Very high | 89.4 | Confident | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y42 A55 E56 | Y42-G44 PolarHBondContact O-N 3.45Å; G44-A55 CarbonylContact O-C 3.57Å; G44-A55 VanDerWaalsContact O-CA 3.3Å; G44-A55 WeakPolarHBondContact O-CA 3.08Å; G44-E56 WeakPolarHBondContact CA-O 3.35Å; G44-E56 PolarHBondContact O-N 3.18Å |
| 45 | V | 95.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 11% | 0.109 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135 | 179.5 | 177.9 | 0 | 0 | 0 | 0 | 110 | Y42 R43 W53 V54 A55 A77 A78 | Y42-V45 PolarHBondContact O-N 2.74Å; R43-V45 PolarHBondContact O-N 2.9Å; V45-W53 HydrophobicContact CG1-CD2 4.5Å; V45-W53 HydrophobicContact CG1-CE3 3.52Å; V45-W53 HydrophobicContact CG1-CZ3 4.09Å; V45-V54 VanDerWaalsContact CA-O 3.32Å; V45-V54 WeakPolarHBondContact CA-O 3.27Å; V45-A55 HydrophobicContact CG2-CB 4.46Å; V45-A77 HydrophobicContact CB-CB 4.42Å; V45-A77 HydrophobicContact CG1-CB 3.67Å; V45-A77 HydrophobicContact CG2-CB 3.87Å; V45-A78 HydrophobicContact CG2-CB 4.31Å |
| 46 | R | 94.6 | Very high | 91.2 | Very high | 89 Ų | 89 | 72.1 Ų | 72.1 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.5 | 174.6 | 62.5 | 178.3 | -179.6 | 74.5 | 1.8 | 111.2 | W53 V54 E56 | R46-W53 CarbonylContact O-C 3.47Å; R46-V54 HydrophobicContact CG-CB 4.13Å; R46-V54 PolarHBondContact N-O 3.46Å; R46-V54 PolarHBondContact O-N 3.42Å; R46-E56 IonicContact NE-OE2 3.53Å; R46-E56 IonicContact NH2-OE2 3.86Å |
| 47 | Q | 94.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.5 | 170.2 | -157.1 | 179.7 | 38.5 | 0 | 0 | 109.9 | G34 E36 N37 G51 W53 | G34-Q47 PolarHBondContact N-O 3.06Å; E36-Q47 VanDerWaalsContact CB-OE1 3.25Å; E36-Q47 PolarHBondContact OE2-NE2 2.96Å; N37-Q47 PolarHBondContact ND2-O 2.73Å; N37-Q47 WeakPolarHBondContact OD1-CA 3.35Å; N37-Q47 WeakPolarHBondContact OD1-CB 3.34Å; N37-Q47 PolarHBondContact OD1-N 3.46Å; Q47-G51 WeakPolarHBondContact CG-O 3.34Å; Q47-G51 PolarHBondContact NE2-O 3.37Å; Q47-G51 VanDerWaalsContact NE2-O 3.13Å; Q47-W53 HydrophobicContact CB-CD2 4.21Å; Q47-W53 HydrophobicContact CB-CE3 3.98Å; Q47-W53 HydrophobicContact CB-CH2 4.09Å; Q47-W53 HydrophobicContact CB-CZ2 4.31Å; Q47-W53 HydrophobicContact CB-CZ3 3.94Å; Q47-W53 HydrophobicContact CG-CD2 4.23Å; Q47-W53 HydrophobicContact CG-CE3 4.5Å; Q47-W53 HydrophobicContact CG-CZ2 4.24Å |
| 48 | R | 92.7 | Very high | 92.4 | Very high | 143 Ų | 143 | 73.7 Ų | 73.7 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | trans | -78.7 | 162.5 | 170.2 | -175.3 | 166.6 | -88.1 | 176.9 | -5 | 109.9 | G34 W50 G51 K52 | G34-R48 VanDerWaalsContact CA-O 3.27Å; G34-R48 WeakPolarHBondContact CA-O 3.17Å; G34-R48 PolarHBondContact N-O 2.74Å; R48-W50 HydrophobicContact CG-CB 4.39Å; R48-W50 PolarHBondContact O-N 2.98Å; R48-W50 VanDerWaalsContact O-N 3.14Å; R48-G51 PolarHBondContact O-N 2.91Å; R48-K52 PolarHBondContact N-O 3.06Å | ||
| 49 | S | 89.8 | Confident | 92.8 | Very high | 104 Ų | 104 | 74.1 Ų | 74.1 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -28.3 | 172.5 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | G51 | S49-G51 PolarHBondContact O-N 2.7Š|
| 50 | W | 87.3 | Confident | 92.7 | Very high | 206 Ų | 206 | 71 Ų | 71 | 78% | 0.78 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11 | 172.3 | -176.7 | -115.2 | 0 | 0 | 0 | 114.5 | R48 K52 | R48-W50 HydrophobicContact CG-CB 4.39Å; R48-W50 PolarHBondContact O-N 2.98Å; R48-W50 VanDerWaalsContact O-N 3.14Å; W50-K52 VanDerWaalsContact CD1-CG 3.4Å; W50-K52 PolarHBondContact O-N 3.24Å |
| 51 | G | 90.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 80.3 Ų | 80.3 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 90 | -13.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q47 R48 S49 | Q47-G51 WeakPolarHBondContact CG-O 3.34Å; Q47-G51 PolarHBondContact NE2-O 3.37Å; Q47-G51 VanDerWaalsContact NE2-O 3.13Å; R48-G51 PolarHBondContact O-N 2.91Å; S49-G51 PolarHBondContact O-N 2.7Å |
| 52 | K | 94 | Very high | 93 | Very high | 100 Ų | 100 | 75.5 Ų | 75.5 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | trans | -70.4 | 142.6 | 173.3 | -63.5 | -70.5 | -178.3 | -179 | 0 | 111.6 | R48 W50 | R48-K52 PolarHBondContact N-O 3.06Å; W50-K52 VanDerWaalsContact CD1-CG 3.4Å; W50-K52 PolarHBondContact O-N 3.24Å | ||
| 53 | W | 95.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 85 Ų | 85 | 3% | 0.027 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.3 | 174 | -64.5 | 89.5 | 0 | 0 | 0 | 109.8 | E36 F40 V45 R46 Q47 T70 F71 T73 A74 A77 | E36-W53 HydrophobicContact CB-CH2 4.04Å; E36-W53 HydrophobicContact CB-CZ2 3.83Å; F40-W53 HydrophobicContact CB-CH2 3.68Å; F40-W53 HydrophobicContact CB-CZ2 4.47Å; F40-W53 HydrophobicContact CB-CZ3 4.1Å; F40-W53 AromaticContact CD2-CH2 3.84Å; F40-W53 HydrophobicContact CD2-CH2 3.84Å; F40-W53 AromaticContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CG-CH2 4.18Å; V45-W53 HydrophobicContact CG1-CD2 4.5Å; V45-W53 HydrophobicContact CG1-CE3 3.52Å; V45-W53 HydrophobicContact CG1-CZ3 4.09Å; R46-W53 CarbonylContact O-C 3.47Å; Q47-W53 HydrophobicContact CB-CD2 4.21Å; Q47-W53 HydrophobicContact CB-CE3 3.98Å; Q47-W53 HydrophobicContact CB-CH2 4.09Å; Q47-W53 HydrophobicContact CB-CZ2 4.31Å; Q47-W53 HydrophobicContact CB-CZ3 3.94Å; Q47-W53 HydrophobicContact CG-CD2 4.23Å; Q47-W53 HydrophobicContact CG-CE3 4.5Å; Q47-W53 HydrophobicContact CG-CZ2 4.24Å; W53-T70 CarbonylContact O-C 3.54Å; W53-T70 VanDerWaalsContact O-CA 3.24Å; W53-T70 WeakPolarHBondContact O-CA 3.27Å; W53-F71 HydrophobicContact CB-CB 4.37Å; W53-F71 PolarHBondContact N-O 3.39Å; W53-F71 PolarHBondContact O-N 3.3Å; W53-T73 VanDerWaalsContact CD1-C 3.42Å; W53-A74 HydrophobicContact CD2-CB 3.73Å; W53-A74 HydrophobicContact CE3-CB 3.82Å; W53-A74 HydrophobicContact CG-CB 4.48Å; W53-A74 HydrophobicContact CH2-CB 3.76Å; W53-A74 HydrophobicContact CZ2-CB 3.67Å; W53-A74 HydrophobicContact CZ3-CB 3.82Å; W53-A77 HydrophobicContact CB-CB 4.04Å |
| 54 | V | 95.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 84.2 Ų | 84.2 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.6 | 179.4 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | V45 R46 T70 | V45-V54 VanDerWaalsContact CA-O 3.32Å; V45-V54 WeakPolarHBondContact CA-O 3.27Å; R46-V54 HydrophobicContact CG-CB 4.13Å; R46-V54 PolarHBondContact N-O 3.46Å; R46-V54 PolarHBondContact O-N 3.42Å; V54-T70 HydrophobicContact CG2-CG2 4.16Å |
| 55 | A | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G44 V45 L68 G69 F71 A77 | G44-A55 CarbonylContact O-C 3.57Å; G44-A55 VanDerWaalsContact O-CA 3.3Å; G44-A55 WeakPolarHBondContact O-CA 3.08Å; V45-A55 HydrophobicContact CG2-CB 4.46Å; A55-L68 HydrophobicContact CB-CB 4.1Å; A55-L68 HydrophobicContact CB-CD1 4.18Å; A55-L68 WeakPolarHBondContact O-CB 3.44Å; A55-L68 PolarHBondContact O-N 3.35Å; A55-G69 PolarHBondContact N-O 2.97Å; A55-G69 VanDerWaalsContact N-O 3.12Å; A55-F71 HydrophobicContact CB-CD2 4.24Å; A55-F71 HydrophobicContact CB-CE2 3.73Å; A55-A77 HydrophobicContact CB-CB 4.23Å; A55-A77 WeakPolarHBondContact CB-O 3.44Å |
| 56 | E | 96.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 94.8 Ų | 94.8 | 15% | 0.15 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.2 | 175.7 | 62.5 | -175.5 | -129.1 | 0 | 0 | 110.4 | G44 R46 R65 K66 Y81 | G44-E56 WeakPolarHBondContact CA-O 3.35Å; G44-E56 PolarHBondContact O-N 3.18Å; R46-E56 IonicContact NE-OE2 3.53Å; R46-E56 IonicContact NH2-OE2 3.86Å; E56-R65 WeakPolarHBondContact OE1-CD 3.47Å; E56-R65 IonicContact OE1-CZ 3.72Å; E56-R65 IonicContact OE1-NE 3.84Å; E56-R65 IonicContact OE1-NH1 2.8Å; E56-R65 PolarHBondContact OE1-NH1 3.34Å; E56-K66 CarbonylContact C-O 3.58Å; E56-K66 VanDerWaalsContact CA-O 3.28Å; E56-K66 WeakPolarHBondContact CA-O 3.24Å; E56-Y81 WeakPolarHBondContact O-CD2 3.48Å; E56-Y81 VanDerWaalsContact O-CE2 3.25Å; E56-Y81 WeakPolarHBondContact O-CE2 3.36Å |
| 57 | I | 95.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 98.6 Ų | 98.6 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.1 | 178.2 | -166.3 | 165.3 | 0 | 0 | 0 | 111.3 | R65 K66 L68 Y81 A84 A85 L88 Y89 | I57-R65 WeakPolarHBondContact O-CA 3.47Å; I57-K66 HydrophobicContact CG2-CB 3.82Å; I57-K66 HydrophobicContact CG2-CG 4.46Å; I57-K66 PolarHBondContact N-O 3.14Å; I57-K66 PolarHBondContact O-N 3.05Å; I57-L68 HydrophobicContact CB-CD1 4.22Å; I57-L68 HydrophobicContact CG2-CD1 4.43Å; I57-L68 HydrophobicContact CG2-CD2 3.86Å; I57-L68 HydrophobicContact CG2-CG 4.28Å; I57-Y81 HydrophobicContact CB-CD2 4.44Å; I57-Y81 HydrophobicContact CB-CE2 4.06Å; I57-Y81 HydrophobicContact CG1-CE2 4Å; I57-A84 HydrophobicContact CD1-CB 3.94Å; I57-A85 HydrophobicContact CD1-CB 4.32Å; I57-L88 HydrophobicContact CD1-CB 4.17Å; I57-L88 HydrophobicContact CD1-CD2 3.56Å; I57-L88 HydrophobicContact CG1-CD2 3.8Å; I57-Y89 HydrophobicContact CD1-CE2 4.1Å |
| 58 | R | 94.8 | Very high | 92.8 | Very high | 138 Ų | 138 | 100.5 Ų | 100.5 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.6 | 177 | -61.1 | -167.3 | -175.3 | -176.6 | 8.9 | 110 | R65 Y89 | R58-R65 HydrophobicContact CG-CB 4.47Å; R58-R65 HydrophobicContact CG-CG 4Å; R58-Y89 PolarHBondContact O-OH 3.17Å |
| 59 | E | 90.2 | Very high | 93 | Very high | 58 Ų | 58 | 94.4 Ų | 94.4 | 27% | 0.271 | 43% | 0.427 | S | S | . | . | trans | -81.4 | 143.1 | 174.7 | -49.1 | -170.1 | -157.5 | 0 | 0 | 111.4 | R61 K62 L88 | E59-R61 PolarHBondContact O-N 3.24Å; E59-K62 HydrophobicContact CB-CB 4.13Å; E59-K62 HydrophobicContact CB-CD 4.13Å; E59-K62 HydrophobicContact CB-CG 4.14Å; E59-K62 HydrophobicContact CG-CD 4.2Å; E59-K62 PolarHBondContact O-N 2.88Å; E59-K62 IonicContact OE1-NZ 2.97Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K62 VanDerWaalsContact OE2-CD 3.23Å; E59-K62 WeakPolarHBondContact OE2-CD 3.4Å; E59-K62 WeakPolarHBondContact OE2-CE 3.28Å; E59-K62 IonicContact OE2-NZ 2.71Å; E59-K62 PolarHBondContact OE2-NZ 2.99Å; E59-L88 HydrophobicContact CB-CD1 4.32Å; E59-L88 HydrophobicContact CB-CD2 4.23Å; E59-L88 HydrophobicContact CG-CD1 3.59Å; E59-L88 HydrophobicContact CG-CD2 3.71Å; E59-L88 HydrophobicContact CG-CG 4.27Å | ||
| 60 | P | 86 | Confident | 93.3 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 134.1 | 170.7 | 29.2 | -26 | 0 | 0 | 0 | 107.3 | Y89 | P60-Y89 HydrophobicContact CG-CE1 4.08Š|
| 61 | R | 89.5 | Confident | 93.8 | Very high | 261 Ų | 261 | 85.4 Ų | 85.4 | 99% | 0.985 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -14.1 | -175 | -48.7 | 168.6 | 177.2 | 161 | -1.3 | 116.7 | E59 | E59-R61 PolarHBondContact O-N 3.24Š|
| 62 | K | 91 | Very high | 93.9 | Very high | 112 Ų | 112 | 87.7 Ų | 87.7 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | trans | -99.6 | 142.5 | 173.8 | -60.8 | -171.6 | -174.7 | 162.4 | 0 | 111 | E59 | E59-K62 HydrophobicContact CB-CB 4.13Å; E59-K62 HydrophobicContact CB-CD 4.13Å; E59-K62 HydrophobicContact CB-CG 4.14Å; E59-K62 HydrophobicContact CG-CD 4.2Å; E59-K62 PolarHBondContact O-N 2.88Å; E59-K62 IonicContact OE1-NZ 2.97Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K62 VanDerWaalsContact OE2-CD 3.23Å; E59-K62 WeakPolarHBondContact OE2-CD 3.4Å; E59-K62 WeakPolarHBondContact OE2-CE 3.28Å; E59-K62 IonicContact OE2-NZ 2.71Å; E59-K62 PolarHBondContact OE2-NZ 2.99Å | ||
| 63 | R | 90.9 | Very high | 94 | Very high | 254 Ų | 254 | 86 Ų | 86 | 96% | 0.958 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -80.5 | -24.8 | 173 | -160.3 | 177.4 | -147 | -175.5 | 6.1 | 112.2 | ||
| 64 | S | 92.1 | Very high | 94 | Very high | 79 Ų | 79 | 85.7 Ų | 85.7 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | trans | -75.1 | 154.8 | -178 | 56 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 65 | R | 94.1 | Very high | 94 | Very high | 137 Ų | 137 | 88.8 Ų | 88.8 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.6 | 173.6 | -44.9 | -170.6 | -171.2 | 166.5 | 11.9 | 108.2 | E56 I57 R58 | E56-R65 WeakPolarHBondContact OE1-CD 3.47Å; E56-R65 IonicContact OE1-CZ 3.72Å; E56-R65 IonicContact OE1-NE 3.84Å; E56-R65 IonicContact OE1-NH1 2.8Å; E56-R65 PolarHBondContact OE1-NH1 3.34Å; I57-R65 WeakPolarHBondContact O-CA 3.47Å; R58-R65 HydrophobicContact CG-CB 4.47Å; R58-R65 HydrophobicContact CG-CG 4Å |
| 66 | K | 94.1 | Very high | 94 | Very high | 131 Ų | 131 | 91 Ų | 91 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.4 | 172.4 | -178.8 | 173.6 | -176.4 | 173.9 | 0 | 108.8 | E56 I57 L68 | E56-K66 CarbonylContact C-O 3.58Å; E56-K66 VanDerWaalsContact CA-O 3.28Å; E56-K66 WeakPolarHBondContact CA-O 3.24Å; I57-K66 HydrophobicContact CG2-CB 3.82Å; I57-K66 HydrophobicContact CG2-CG 4.46Å; I57-K66 PolarHBondContact N-O 3.14Å; I57-K66 PolarHBondContact O-N 3.05Å; K66-L68 HydrophobicContact CG-CD2 4.42Å |
| 67 | W | 94.4 | Very high | 94 | Very high | 168 Ų | 168 | 89.5 Ų | 89.5 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127 | 171.5 | 176.6 | 43.1 | 0 | 0 | 0 | 109.1 | G69 T70 | W67-G69 PolarHBondContact NE1-O 2.77Å; W67-T70 HydrophobicContact CZ2-CG2 3.84Å |
| 68 | L | 96.1 | Very high | 94 | Very high | 48 Ų | 48 | 89.1 Ų | 89.1 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -25.8 | -177.5 | -59.5 | 177.9 | 0 | 0 | 0 | 112.3 | A55 I57 K66 Y81 A84 | A55-L68 HydrophobicContact CB-CB 4.1Å; A55-L68 HydrophobicContact CB-CD1 4.18Å; A55-L68 WeakPolarHBondContact O-CB 3.44Å; A55-L68 PolarHBondContact O-N 3.35Å; I57-L68 HydrophobicContact CB-CD1 4.22Å; I57-L68 HydrophobicContact CG2-CD1 4.43Å; I57-L68 HydrophobicContact CG2-CD2 3.86Å; I57-L68 HydrophobicContact CG2-CG 4.28Å; K66-L68 HydrophobicContact CG-CD2 4.42Å; L68-Y81 HydrophobicContact CD1-CD2 4.2Å; L68-A84 HydrophobicContact CD1-CB 3.66Å; L68-A84 HydrophobicContact CD2-CB 3.64Å; L68-A84 HydrophobicContact CG-CB 4.32Å |
| 69 | G | 96.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 88.9 Ų | 88.9 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A55 W67 | A55-G69 PolarHBondContact N-O 2.97Å; A55-G69 VanDerWaalsContact N-O 3.12Å; W67-G69 PolarHBondContact NE1-O 2.77Å |
| 70 | T | 96.9 | Very high | 94.4 | Very high | 87 Ų | 87 | 86.5 Ų | 86.5 | 53% | 0.534 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140 | 170.6 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | W53 V54 W67 | W53-T70 CarbonylContact O-C 3.54Å; W53-T70 VanDerWaalsContact O-CA 3.24Å; W53-T70 WeakPolarHBondContact O-CA 3.27Å; V54-T70 HydrophobicContact CG2-CG2 4.16Å; W67-T70 HydrophobicContact CZ2-CG2 3.84Å |
| 71 | F | 96.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 83 Ų | 83 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.3 | -171.4 | -55.5 | -84.7 | 0 | 0 | 0 | 110.2 | W53 A55 D76 A77 A80 | W53-F71 HydrophobicContact CB-CB 4.37Å; W53-F71 PolarHBondContact N-O 3.39Å; W53-F71 PolarHBondContact O-N 3.3Å; A55-F71 HydrophobicContact CB-CD2 4.24Å; A55-F71 HydrophobicContact CB-CE2 3.73Å; F71-D76 HydrophobicContact CB-CB 4.47Å; F71-D76 HydrophobicContact CD1-CB 4.41Å; F71-D76 VanDerWaalsContact CD1-OD2 3.28Å; F71-D76 WeakPolarHBondContact CD1-OD2 3.32Å; F71-A77 HydrophobicContact CB-CB 3.99Å; F71-A77 VanDerWaalsContact CD2-CA 3.45Å; F71-A77 HydrophobicContact CD2-CB 3.52Å; F71-A77 HydrophobicContact CE2-CB 4.33Å; F71-A77 HydrophobicContact CG-CB 3.94Å; F71-A80 HydrophobicContact CE1-CB 3.82Å; F71-A80 HydrophobicContact CE2-CB 3.82Å; F71-A80 HydrophobicContact CZ-CB 3.27Å |
| 72 | A | 94.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 71.1 Ų | 71.1 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -77.6 | -30.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 73 | T | 95.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 72.9 Ų | 72.9 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -122.7 | 158.2 | -176.9 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | W53 D76 A77 | W53-T73 VanDerWaalsContact CD1-C 3.42Å; T73-D76 VanDerWaalsContact OG1-CB 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.45Å; T73-D76 PolarHBondContact OG1-N 3.42Å; T73-A77 PolarHBondContact O-N 2.75Å |
| 74 | A | 95 | Very high | 95.6 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F40 Y42 W53 A77 A78 | F40-A74 HydrophobicContact CB-CB 3.68Å; F40-A74 HydrophobicContact CD1-CB 4.14Å; F40-A74 HydrophobicContact CD2-CB 4.12Å; F40-A74 HydrophobicContact CG-CB 3.73Å; Y42-A74 HydrophobicContact CD2-CB 4.01Å; Y42-A74 HydrophobicContact CE2-CB 3.79Å; W53-A74 HydrophobicContact CD2-CB 3.73Å; W53-A74 HydrophobicContact CE3-CB 3.82Å; W53-A74 HydrophobicContact CG-CB 4.48Å; W53-A74 HydrophobicContact CH2-CB 3.76Å; W53-A74 HydrophobicContact CZ2-CB 3.67Å; W53-A74 HydrophobicContact CZ3-CB 3.82Å; A74-A77 PolarHBondContact O-N 3.03Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.4Å |
| 75 | E | 95.5 | Very high | 95.7 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 34% | 0.341 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | -178.4 | -61.5 | 75.3 | -166.6 | 0 | 0 | 111.1 | F40 A78 R79 | F40-E75 WeakPolarHBondContact CE1-OE1 3.49Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.11Å; E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.37Å |
| 76 | D | 96.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 178.8 | -162.5 | 46.1 | 0 | 0 | 0 | 111.6 | F71 T73 A78 R79 A80 | F71-D76 HydrophobicContact CB-CB 4.47Å; F71-D76 HydrophobicContact CD1-CB 4.41Å; F71-D76 VanDerWaalsContact CD1-OD2 3.28Å; F71-D76 WeakPolarHBondContact CD1-OD2 3.32Å; T73-D76 VanDerWaalsContact OG1-CB 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.45Å; T73-D76 PolarHBondContact OG1-N 3.42Å; D76-A78 VanDerWaalsContact C-N 3.29Å; D76-A78 PolarHBondContact O-N 3.34Å; D76-R79 PolarHBondContact O-N 3.29Å; D76-R79 IonicContact OD1-CZ 3.47Å; D76-R79 IonicContact OD1-NE 3.35Å; D76-R79 PolarHBondContact OD1-NE 3.5Å; D76-R79 IonicContact OD1-NH2 2.75Å; D76-R79 PolarHBondContact OD1-NH2 3.41Å; D76-A80 PolarHBondContact O-N 3Å |
| 77 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V45 W53 A55 F71 T73 A74 A80 Y81 | V45-A77 HydrophobicContact CB-CB 4.42Å; V45-A77 HydrophobicContact CG1-CB 3.67Å; V45-A77 HydrophobicContact CG2-CB 3.87Å; W53-A77 HydrophobicContact CB-CB 4.04Å; A55-A77 HydrophobicContact CB-CB 4.23Å; A55-A77 WeakPolarHBondContact CB-O 3.44Å; F71-A77 HydrophobicContact CB-CB 3.99Å; F71-A77 VanDerWaalsContact CD2-CA 3.45Å; F71-A77 HydrophobicContact CD2-CB 3.52Å; F71-A77 HydrophobicContact CE2-CB 4.33Å; F71-A77 HydrophobicContact CG-CB 3.94Å; T73-A77 PolarHBondContact O-N 2.75Å; A74-A77 PolarHBondContact O-N 3.03Å; A77-A80 PolarHBondContact O-N 2.86Å; A77-Y81 PolarHBondContact O-N 3.07Å |
| 78 | A | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y42 V45 A74 E75 D76 A80 Y81 D82 N96 L97 | Y42-A78 HydrophobicContact CD1-CB 3.99Å; Y42-A78 HydrophobicContact CD2-CB 3.84Å; Y42-A78 HydrophobicContact CE1-CB 4.46Å; Y42-A78 HydrophobicContact CE2-CB 4.33Å; Y42-A78 HydrophobicContact CG-CB 3.65Å; V45-A78 HydrophobicContact CG2-CB 4.31Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.4Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.11Å; D76-A78 VanDerWaalsContact C-N 3.29Å; D76-A78 PolarHBondContact O-N 3.34Å; A78-A80 VanDerWaalsContact C-N 3.35Å; A78-A80 PolarHBondContact O-N 3.37Å; A78-Y81 WeakPolarHBondContact O-CB 3.42Å; A78-Y81 PolarHBondContact O-N 3.24Å; A78-D82 WeakPolarHBondContact O-CB 3.44Å; A78-D82 VanDerWaalsContact O-CG 3.26Å; A78-D82 PolarHBondContact O-N 3.06Å; A78-N96 HydrophobicContact CB-CB 4.05Å; A78-L97 HydrophobicContact CB-CD1 4.24Å; A78-L97 HydrophobicContact CB-CD2 4.36Å; A78-L97 HydrophobicContact CB-CG 4.24Å |
| 79 | R | 96.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 53.4 Ų | 53.4 | 50% | 0.498 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 172.7 | -74.2 | -170.5 | -61.6 | -158.1 | 2.5 | 111.8 | E75 D76 Y81 D82 R83 L97 | E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.37Å; D76-R79 PolarHBondContact O-N 3.29Å; D76-R79 IonicContact OD1-CZ 3.47Å; D76-R79 IonicContact OD1-NE 3.35Å; D76-R79 PolarHBondContact OD1-NE 3.5Å; D76-R79 IonicContact OD1-NH2 2.75Å; D76-R79 PolarHBondContact OD1-NH2 3.41Å; R79-Y81 VanDerWaalsContact C-N 3.32Å; R79-Y81 PolarHBondContact O-N 2.88Å; R79-D82 PolarHBondContact O-N 2.78Å; R79-R83 WeakPolarHBondContact O-CG 3.25Å; R79-R83 PolarHBondContact O-N 3.28Å; R79-L97 HydrophobicContact CB-CD1 4.18Å; R79-L97 HydrophobicContact CG-CD1 3.17Å |
| 80 | A | 96.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F71 D76 A77 A78 A84 | F71-A80 HydrophobicContact CE1-CB 3.82Å; F71-A80 HydrophobicContact CE2-CB 3.82Å; F71-A80 HydrophobicContact CZ-CB 3.27Å; D76-A80 PolarHBondContact O-N 3Å; A77-A80 PolarHBondContact O-N 2.86Å; A78-A80 VanDerWaalsContact C-N 3.35Å; A78-A80 PolarHBondContact O-N 3.37Å; A80-A84 PolarHBondContact O-N 3.12Å |
| 81 | Y | 96.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 172.7 | -175.7 | -84.6 | 0 | 0 | 0 | 112.1 | R43 E56 I57 L68 A77 A78 R79 R83 A84 A85 N96 | R43-Y81 HydrophobicContact CB-CE1 4.25Å; R43-Y81 WeakPolarHBondContact CD-OH 3.43Å; R43-Y81 HydrophobicContact CG-CE1 4.03Å; R43-Y81 PolarHBondContact NE-OH 3.31Å; R43-Y81 WeakPolarHBondContact O-CD1 3.48Å; R43-Y81 WeakPolarHBondContact O-CD2 3.36Å; R43-Y81 VanDerWaalsContact O-CG 3.28Å; E56-Y81 WeakPolarHBondContact O-CD2 3.48Å; E56-Y81 VanDerWaalsContact O-CE2 3.25Å; E56-Y81 WeakPolarHBondContact O-CE2 3.36Å; I57-Y81 HydrophobicContact CB-CD2 4.44Å; I57-Y81 HydrophobicContact CB-CE2 4.06Å; I57-Y81 HydrophobicContact CG1-CE2 4Å; L68-Y81 HydrophobicContact CD1-CD2 4.2Å; A77-Y81 PolarHBondContact O-N 3.07Å; A78-Y81 WeakPolarHBondContact O-CB 3.42Å; A78-Y81 PolarHBondContact O-N 3.24Å; R79-Y81 VanDerWaalsContact C-N 3.32Å; R79-Y81 PolarHBondContact O-N 2.88Å; Y81-R83 PolarHBondContact O-N 2.99Å; Y81-A84 PolarHBondContact O-N 3.34Å; Y81-A84 VanDerWaalsContact O-N 3.17Å; Y81-A85 HydrophobicContact CD1-CB 4.36Å; Y81-A85 HydrophobicContact CE1-CB 4.06Å; Y81-A85 WeakPolarHBondContact O-CB 3.48Å; Y81-A85 PolarHBondContact O-N 2.95Å; Y81-N96 WeakPolarHBondContact CD1-ND2 3.29Å |
| 82 | D | 95.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | -178.5 | -74.2 | -8.2 | 0 | 0 | 0 | 112.1 | A78 R79 A84 A85 L86 L95 N96 L97 | A78-D82 WeakPolarHBondContact O-CB 3.44Å; A78-D82 VanDerWaalsContact O-CG 3.26Å; A78-D82 PolarHBondContact O-N 3.06Å; R79-D82 PolarHBondContact O-N 2.78Å; D82-A84 VanDerWaalsContact C-N 3.35Å; D82-A84 PolarHBondContact O-N 3.01Å; D82-A85 PolarHBondContact O-N 3.49Å; D82-L86 WeakPolarHBondContact O-CG 3.43Å; D82-L86 PolarHBondContact O-N 3.33Å; D82-L95 HydrophobicContact CB-CB 4.24Å; D82-L95 HydrophobicContact CB-CD1 4.44Å; D82-L95 HydrophobicContact CB-CD2 3.88Å; D82-L95 HydrophobicContact CB-CG 4.4Å; D82-L95 WeakPolarHBondContact O-CD2 3.4Å; D82-L95 WeakPolarHBondContact OD1-CA 3.42Å; D82-N96 WeakPolarHBondContact OD1-CB 3.28Å; D82-N96 PolarHBondContact OD1-N 3.46Å; D82-N96 PolarHBondContact OD1-ND2 3.46Å; D82-N96 PolarHBondContact OD2-N 3.17Å; D82-L97 PolarHBondContact OD2-N 2.89Å |
| 83 | R | 95.6 | Very high | 94.3 | Very high | 150 Ų | 150 | 61.9 Ų | 61.9 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.7 | -46 | 172.6 | -70.2 | -172.8 | -61.4 | -131.8 | 0.4 | 111.7 | R79 Y81 A85 L86 L87 | R79-R83 WeakPolarHBondContact O-CG 3.25Å; R79-R83 PolarHBondContact O-N 3.28Å; Y81-R83 PolarHBondContact O-N 2.99Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 2.95Å; R83-L86 PolarHBondContact O-N 2.99Å; R83-L87 WeakPolarHBondContact O-CG 3.36Å; R83-L87 PolarHBondContact O-N 3.49Å |
| 84 | A | 95.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I57 L68 A80 Y81 D82 L87 L88 | I57-A84 HydrophobicContact CD1-CB 3.94Å; L68-A84 HydrophobicContact CD1-CB 3.66Å; L68-A84 HydrophobicContact CD2-CB 3.64Å; L68-A84 HydrophobicContact CG-CB 4.32Å; A80-A84 PolarHBondContact O-N 3.12Å; Y81-A84 PolarHBondContact O-N 3.34Å; Y81-A84 VanDerWaalsContact O-N 3.17Å; D82-A84 VanDerWaalsContact C-N 3.35Å; D82-A84 PolarHBondContact O-N 3.01Å; A84-L87 PolarHBondContact O-N 3.25Å; A84-L88 WeakPolarHBondContact O-CB 3.46Å; A84-L88 PolarHBondContact O-N 2.81Å |
| 85 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I57 Y81 D82 R83 L87 L88 Y89 A93 L95 | I57-A85 HydrophobicContact CD1-CB 4.32Å; Y81-A85 HydrophobicContact CD1-CB 4.36Å; Y81-A85 HydrophobicContact CE1-CB 4.06Å; Y81-A85 WeakPolarHBondContact O-CB 3.48Å; Y81-A85 PolarHBondContact O-N 2.95Å; D82-A85 PolarHBondContact O-N 3.49Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 2.95Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.46Å; A85-L88 PolarHBondContact O-N 2.59Å; A85-Y89 HydrophobicContact CB-CD2 3.95Å; A85-Y89 HydrophobicContact CB-CE2 4.17Å; A85-Y89 WeakPolarHBondContact O-CD2 3.3Å; A85-Y89 PolarHBondContact O-N 3.29Å; A85-A93 HydrophobicContact CB-CB 4.16Å; A85-A93 WeakPolarHBondContact O-CB 3.45Å; A85-L95 HydrophobicContact CB-CD2 4Å |
| 86 | L | 93.9 | Very high | 93.9 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 41% | 0.414 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 173.8 | -75.7 | 171.3 | 0 | 0 | 0 | 112.2 | D82 R83 G90 A93 L95 | D82-L86 WeakPolarHBondContact O-CG 3.43Å; D82-L86 PolarHBondContact O-N 3.33Å; R83-L86 PolarHBondContact O-N 2.99Å; L86-G90 CarbonylContact O-C 3.5Å; L86-G90 WeakPolarHBondContact O-CA 3.36Å; L86-G90 PolarHBondContact O-N 2.95Å; L86-A93 HydrophobicContact CD2-CB 4.32Å; L86-L95 HydrophobicContact CD1-CD1 4.1Å; L86-L95 HydrophobicContact CD2-CD1 4Å; L86-L95 HydrophobicContact CD2-CD2 4.27Å; L86-L95 HydrophobicContact CG-CD1 4.01Å; L86-L95 HydrophobicContact CG-CD2 3.96Å |
| 87 | L | 92.8 | Very high | 93.5 | Very high | 156 Ų | 156 | 66.9 Ų | 66.9 | 82% | 0.817 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69.5 | -36.5 | 179 | -64.8 | 172.4 | 0 | 0 | 0 | 112.2 | R83 A84 A85 | R83-L87 WeakPolarHBondContact O-CG 3.36Å; R83-L87 PolarHBondContact O-N 3.49Å; A84-L87 PolarHBondContact O-N 3.25Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.46Å |
| 88 | L | 92.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -85.9 | -43.6 | -173.9 | -177.5 | 68.3 | 0 | 0 | 0 | 113.8 | I57 E59 A84 A85 | I57-L88 HydrophobicContact CD1-CB 4.17Å; I57-L88 HydrophobicContact CD1-CD2 3.56Å; I57-L88 HydrophobicContact CG1-CD2 3.8Å; E59-L88 HydrophobicContact CB-CD1 4.32Å; E59-L88 HydrophobicContact CB-CD2 4.23Å; E59-L88 HydrophobicContact CG-CD1 3.59Å; E59-L88 HydrophobicContact CG-CD2 3.71Å; E59-L88 HydrophobicContact CG-CG 4.27Å; A84-L88 WeakPolarHBondContact O-CB 3.46Å; A84-L88 PolarHBondContact O-N 2.81Å; A85-L88 PolarHBondContact O-N 2.59Å |
| 89 | Y | 91.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 75.7 Ų | 75.7 | 38% | 0.38 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -101.5 | -11.4 | -176.9 | -51.9 | -71.8 | 0 | 0 | 0 | 113 | I57 R58 P60 A85 A93 | I57-Y89 HydrophobicContact CD1-CE2 4.1Å; R58-Y89 PolarHBondContact O-OH 3.17Å; P60-Y89 HydrophobicContact CG-CE1 4.08Å; A85-Y89 HydrophobicContact CB-CD2 3.95Å; A85-Y89 HydrophobicContact CB-CE2 4.17Å; A85-Y89 WeakPolarHBondContact O-CD2 3.3Å; A85-Y89 PolarHBondContact O-N 3.29Å; Y89-A93 HydrophobicContact CD2-CB 4.33Å |
| 90 | G | 91 | Very high | 88.5 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | trans | 85.4 | -164.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L86 R92 A93 | L86-G90 CarbonylContact O-C 3.5Å; L86-G90 WeakPolarHBondContact O-CA 3.36Å; L86-G90 PolarHBondContact O-N 2.95Å; G90-R92 PolarHBondContact O-N 3.46Å; G90-A93 VanDerWaalsContact O-CB 3.29Å; G90-A93 WeakPolarHBondContact O-CB 3.16Å; G90-A93 PolarHBondContact O-N 2.8Å | ||
| 91 | P | 90.7 | Very high | 86.4 | Confident | 129 Ų | 129 | 79.5 Ų | 79.5 | 84% | 0.838 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -11 | -172.4 | 27.4 | -35.6 | 0 | 0 | 0 | 114.3 | ||
| 92 | R | 89.5 | Confident | 84.2 | Confident | 226 Ų | 226 | 84.2 Ų | 84.2 | 85% | 0.853 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 11 | 176.4 | -60.9 | 179.7 | 67 | 159.2 | 1.7 | 112.6 | G90 H94 | G90-R92 PolarHBondContact O-N 3.46Å; R92-H94 PolarHBondContact O-N 2.92Å |
| 93 | A | 91.6 | Very high | 82.1 | Confident | 15 Ų | 15 | 89 Ų | 89 | 12% | 0.124 | 49% | 0.485 | C | S | . | . | trans | -57.6 | 132.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A85 L86 Y89 G90 L95 | A85-A93 HydrophobicContact CB-CB 4.16Å; A85-A93 WeakPolarHBondContact O-CB 3.45Å; L86-A93 HydrophobicContact CD2-CB 4.32Å; Y89-A93 HydrophobicContact CD2-CB 4.33Å; G90-A93 VanDerWaalsContact O-CB 3.29Å; G90-A93 WeakPolarHBondContact O-CB 3.16Å; G90-A93 PolarHBondContact O-N 2.8Å; A93-L95 HydrophobicContact CB-CD2 3.92Å; A93-L95 PolarHBondContact O-N 3.26Å | ||
| 94 | H | 91.3 | Very high | 79.9 | Confident | 153 Ų | 153 | 88 Ų | 88 | 71% | 0.708 | 50% | 0.496 | S | S | * | . | trans | -70 | 132.3 | 165.7 | -63 | 179.7 | 0 | 0 | 0 | 106.8 | R43 R92 | R43-H94 PolarHBondContact NH2-O 3.49Å; R92-H94 PolarHBondContact O-N 2.92Å | ||
| 95 | L | 93.5 | Very high | 77.6 | Confident | 35 Ų | 35 | 96.1 Ų | 96.1 | 18% | 0.183 | 54% | 0.536 | C | S | . | . | trans | -117.5 | 156.1 | -179.9 | -55.8 | -173.2 | 0 | 0 | 0 | 109.6 | D82 A85 L86 A93 T98 | D82-L95 HydrophobicContact CB-CB 4.24Å; D82-L95 HydrophobicContact CB-CD1 4.44Å; D82-L95 HydrophobicContact CB-CD2 3.88Å; D82-L95 HydrophobicContact CB-CG 4.4Å; D82-L95 WeakPolarHBondContact O-CD2 3.4Å; D82-L95 WeakPolarHBondContact OD1-CA 3.42Å; A85-L95 HydrophobicContact CB-CD2 4Å; L86-L95 HydrophobicContact CD1-CD1 4.1Å; L86-L95 HydrophobicContact CD2-CD1 4Å; L86-L95 HydrophobicContact CD2-CD2 4.27Å; L86-L95 HydrophobicContact CG-CD1 4.01Å; L86-L95 HydrophobicContact CG-CD2 3.96Å; A93-L95 HydrophobicContact CB-CD2 3.92Å; A93-L95 PolarHBondContact O-N 3.26Å; L95-T98 HydrophobicContact CB-CG2 3.6Å; L95-T98 WeakPolarHBondContact CB-OG1 3.33Å; L95-T98 HydrophobicContact CD1-CG2 3.55Å; L95-T98 HydrophobicContact CG-CG2 4.05Å | ||
| 96 | N | 92.6 | Very high | 75.4 | Confident | 28 Ų | 28 | 100.3 Ų | 100.3 | 15% | 0.15 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -78.9 | -39.5 | -178.1 | -71.6 | -44.4 | 0 | 0 | 0 | 111.5 | Y42 R43 A78 Y81 D82 | Y42-N96 HydrophobicContact CD1-CB 3.89Å; R43-N96 VanDerWaalsContact CB-OD1 3.27Å; R43-N96 WeakPolarHBondContact CB-OD1 3.4Å; R43-N96 PolarHBondContact N-OD1 2.99Å; R43-N96 PolarHBondContact O-ND2 3.31Å; R43-N96 VanDerWaalsContact O-ND2 3.07Å; A78-N96 HydrophobicContact CB-CB 4.05Å; Y81-N96 WeakPolarHBondContact CD1-ND2 3.29Å; D82-N96 WeakPolarHBondContact OD1-CB 3.28Å; D82-N96 PolarHBondContact OD1-N 3.46Å; D82-N96 PolarHBondContact OD1-ND2 3.46Å; D82-N96 PolarHBondContact OD2-N 3.17Å |
| 97 | L | 88.5 | Confident | 73.2 | Confident | 73 Ų | 73 | 100.5 Ų | 100.5 | 38% | 0.382 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -101 | 5.7 | -170.1 | -59.2 | 171.8 | 0 | 0 | 0 | 113.8 | Y42 A78 R79 D82 S99 | Y42-L97 HydrophobicContact CE1-CD2 4.02Å; A78-L97 HydrophobicContact CB-CD1 4.24Å; A78-L97 HydrophobicContact CB-CD2 4.36Å; A78-L97 HydrophobicContact CB-CG 4.24Å; R79-L97 HydrophobicContact CB-CD1 4.18Å; R79-L97 HydrophobicContact CG-CD1 3.17Å; D82-L97 PolarHBondContact OD2-N 2.89Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 2.88Å |
| 98 | T | 74.7 | Confident | 71.1 | Confident | 103 Ų | 103 | 98.6 Ų | 98.6 | 63% | 0.632 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -86.2 | 12.6 | -179.1 | 53.1 | 0 | 0 | 0 | 0 | 115 | L95 | L95-T98 HydrophobicContact CB-CG2 3.6Å; L95-T98 WeakPolarHBondContact CB-OG1 3.33Å; L95-T98 HydrophobicContact CD1-CG2 3.55Å; L95-T98 HydrophobicContact CG-CG2 4.05Å |
| 99 | S | 55.1 | Low | 68.7 | Low | 82 Ų | 82 | 107 Ų | 107 | 57% | 0.573 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -137.7 | 131.5 | 163.9 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | L97 | L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 2.88Å |
| 100 | P | 53.8 | Low | 66.7 | Low | 109 Ų | 109 | 107 Ų | 107 | 71% | 0.708 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 141.6 | 167.4 | 25.1 | -32.4 | 0 | 0 | 0 | 108.4 | ||
| 101 | P | 52.6 | Low | 65 | Low | 113 Ų | 113 | 113.8 Ų | 113.8 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.5 | -179.4 | 23.7 | -33.1 | 0 | 0 | 0 | 109.4 | ||
| 102 | P | 51.7 | Low | 63.4 | Low | 110 Ų | 110 | 111.8 Ų | 111.8 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.5 | 170.2 | 25.7 | -32.1 | 0 | 0 | 0 | 107.6 | T104 | P102-T104 PolarHBondContact O-N 3.4Š|
| 103 | P | 51.5 | Low | 61.5 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 63% | 0.629 | S | S | * | * | trans | -60.4 | 112.6 | -179.7 | 23.5 | -31.9 | 0 | 0 | 0 | 108.6 | L105 | P103-L105 VanDerWaalsContact C-N 3.31Å; P103-L105 PolarHBondContact O-N 3.32Å | ||
| 104 | T | 49 | Very low | 59.6 | Low | 129 Ų | 129 | 113 Ų | 113 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | -60 | 94.2 | 168.1 | 41.2 | 0 | 0 | 0 | 0 | 108.4 | P102 A106 | P102-T104 PolarHBondContact O-N 3.4Å; T104-A106 PolarHBondContact O-N 3.03Å | ||
| 105 | L | 46.7 | Very low | 57.7 | Low | 186 Ų | 186 | 110.6 Ų | 110.6 | 97% | 0.974 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 46.6 | 18.5 | 154.6 | -68.2 | 165.3 | 0 | 0 | 0 | 118.9 | P103 | P103-L105 VanDerWaalsContact C-N 3.31Å; P103-L105 PolarHBondContact O-N 3.32Å |
| 106 | A | 47.5 | Very low | 55.7 | Low | 88 Ų | 88 | 114 Ų | 114 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -139.1 | 66.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T104 | T104-A106 PolarHBondContact O-N 3.03Š| ||
| 107 | A | 49.6 | Very low | 54 | Low | 83 Ų | 83 | 118.3 Ų | 118.3 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | trans | -173 | 125.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 108 | P | 48.5 | Very low | 52.3 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -67 | 145.2 | 175.1 | 30.4 | -32.1 | 0 | 0 | 0 | 109.3 | S110 | P108-S110 PolarHBondContact O-N 3.06Š| ||
| 109 | R | 42.1 | Very low | 51.5 | Low | 235 Ų | 235 | 120.3 Ų | 120.3 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | trans | -40.9 | 109.9 | 166.7 | -66.2 | 169.9 | 171 | -146.1 | -2.9 | 109.7 | ||||
| 110 | S | 49.8 | Very low | 51.7 | Low | 97 Ų | 97 | 120.8 Ų | 120.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -130.2 | 116.9 | 158.2 | 52.5 | 0 | 0 | 0 | 0 | 107.2 | P108 P112 | P108-S110 PolarHBondContact O-N 3.06Å; S110-P112 WeakPolarHBondContact O-CD 3.12Å | ||
| 111 | H | 54.2 | Low | 52.3 | Low | 164 Ų | 164 | 121.2 Ų | 121.2 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -82 | 115.7 | 161.3 | -22.6 | -81.7 | 0 | 0 | 0 | 104.6 | ||||
| 112 | P | 57 | Low | 52.4 | Low | 88 Ų | 88 | 121.4 Ų | 121.4 | 57% | 0.571 | 76% | 0.758 | S | S | * | * | trans | -120 | 110.9 | 149.1 | 34.2 | -25.6 | 0 | 0 | 0 | 108.2 | S110 | S110-P112 WeakPolarHBondContact O-CD 3.12Š| ||
| 113 | H | 49.7 | Very low | 52.3 | Low | 158 Ų | 158 | 120.3 Ų | 120.3 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | 38.4 | 125.4 | 90.7 | 76.2 | -110.1 | 0 | 0 | 0 | 114.1 | |||||
| 114 | S | 52.4 | Low | 52.5 | Low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 78.8 | 111.2 | 159.2 | -44.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 115 | S | 50.7 | Low | 53.3 | Low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | -161.9 | 110.7 | 62.2 | 32.4 | 0 | 0 | 0 | 0 | 110.4 | T117 | S115-T117 PolarHBondContact O-N 2.86Å; S115-T117 VanDerWaalsContact O-N 3.15Å | |||
| 116 | A | 52.6 | Low | 53.9 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 88% | 0.876 | 76% | 0.755 | S | S | * | * | trans | -70 | 98.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107 | S118 | A116-S118 PolarHBondContact O-N 3.47Å; A116-S118 VanDerWaalsContact O-N 3.15Å | ||
| 117 | T | 56.8 | Low | 54.5 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -77.3 | 100 | 170.4 | -58.2 | 0 | 0 | 0 | 0 | 108 | S115 S119 | S115-T117 PolarHBondContact O-N 2.86Å; S115-T117 VanDerWaalsContact O-N 3.15Å; T117-S119 PolarHBondContact O-N 3.34Å | ||
| 118 | S | 53.2 | Low | 55.2 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -61.1 | 108.1 | 164.6 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | A116 | A116-S118 PolarHBondContact O-N 3.47Å; A116-S118 VanDerWaalsContact O-N 3.15Å | ||
| 119 | S | 56.9 | Low | 56.1 | Low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -139.9 | 100.5 | 153.9 | 66.7 | 0 | 0 | 0 | 0 | 108.1 | T117 | T117-S119 PolarHBondContact O-N 3.34Š| ||
| 120 | A | 60.1 | Low | 57.2 | Low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -56.8 | 148.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 121 | P | 65.5 | Low | 58.1 | Low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | -112.1 | 139.1 | 121.5 | 31.4 | -31.4 | 0 | 0 | 0 | 109.9 | |||||
| 122 | P | 55.8 | Low | 58.7 | Low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -70.9 | 143.4 | 175.9 | 31.8 | -32.1 | 0 | 0 | 0 | 109.4 | ||||
| 123 | A | 49.7 | Very low | 58.7 | Low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 49.3 | 120.9 | 158 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 124 | L | 55.1 | Low | 59.3 | Low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | -172.6 | 119.1 | 83.2 | -81.6 | 163.8 | 0 | 0 | 0 | 105.3 | P126 | L124-P126 WeakPolarHBondContact O-CD 3.36Š| |||
| 125 | R | 66.3 | Low | 59.2 | Low | 222 Ų | 222 | 135.6 Ų | 135.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -72.4 | 123.7 | 164.5 | -60.6 | 177.7 | 177.5 | 172.9 | -1.1 | 106.6 | L127 | R125-L127 VanDerWaalsContact C-N 3.26Å; R125-L127 PolarHBondContact O-N 2.72Å | ||
| 126 | P | 59.4 | Low | 59.6 | Low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 94.2 | 154 | -1.4 | 20.5 | 0 | 0 | 0 | 105.6 | L124 L128 | L124-P126 WeakPolarHBondContact O-CD 3.36Å; P126-L128 PolarHBondContact O-N 3.01Å | ||
| 127 | L | 59 | Low | 59.5 | Low | 149 Ų | 149 | 138.4 Ų | 138.4 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -63.1 | 94.7 | 155.1 | -69.4 | 173.6 | 0 | 0 | 0 | 105.4 | R125 P129 | R125-L127 VanDerWaalsContact C-N 3.26Å; R125-L127 PolarHBondContact O-N 2.72Å; L127-P129 WeakPolarHBondContact O-CD 3.47Å | ||
| 128 | L | 65.2 | Low | 59.6 | Low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.9 | 171 | -82.6 | 163 | 0 | 0 | 0 | 107.8 | P126 R130 | P126-L128 PolarHBondContact O-N 3.01Å; L128-R130 PolarHBondContact O-N 3Å |
| 129 | P | 66 | Low | 59.6 | Low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.7 | 175.3 | -16.3 | 29.3 | 0 | 0 | 0 | 109.1 | L127 | L127-P129 WeakPolarHBondContact O-CD 3.47Š|
| 130 | R | 67 | Low | 59.3 | Low | 238 Ų | 238 | 139.3 Ų | 139.3 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.7 | 167.5 | -134.3 | 173.2 | -172.5 | 174.4 | 0.6 | 107.3 | L128 | L128-R130 PolarHBondContact O-N 3Š|
| 131 | P | 67.2 | Low | 59.1 | Low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139.8 | 178 | 25.4 | -32.9 | 0 | 0 | 0 | 110.2 | L133 | P131-L133 PolarHBondContact O-N 3.32Š|
| 132 | P | 66.8 | Low | 58.8 | Low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 124.6 | 175 | 26.3 | -31.5 | 0 | 0 | 0 | 109.6 | H134 | P132-H134 PolarHBondContact O-N 3.18Å; P132-H134 PolarHBondContact O-ND1 2.88Å |
| 133 | L | 56.7 | Low | 59 | Low | 173 Ų | 173 | 138.8 Ų | 138.8 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 97.2 | 173.6 | -155.5 | 81.8 | 0 | 0 | 0 | 108.1 | P131 Q135 | P131-L133 PolarHBondContact O-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.47Å | ||
| 134 | H | 62 | Low | 59.7 | Low | 150 Ų | 150 | 140.7 Ų | 140.7 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -73.5 | 117.3 | 171.9 | 23.5 | -77.3 | 0 | 0 | 0 | 108.1 | P132 L136 | P132-H134 PolarHBondContact O-N 3.18Å; P132-H134 PolarHBondContact O-ND1 2.88Å; H134-L136 PolarHBondContact O-N 3.34Å | ||
| 135 | Q | 51.5 | Low | 59.8 | Low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -59.4 | 110.2 | 167.9 | -69.5 | 177.2 | -26.7 | 0 | 0 | 108.7 | L133 | L133-Q135 PolarHBondContact O-N 3.47Š| ||
| 136 | L | 58.8 | Low | 59.3 | Low | 155 Ų | 155 | 138.6 Ų | 138.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -111 | 92.1 | 159.7 | -83 | 158.2 | 0 | 0 | 0 | 106.7 | H134 S138 | H134-L136 PolarHBondContact O-N 3.34Å; L136-S138 PolarHBondContact O-N 3.42Å | ||
| 137 | S | 49.8 | Very low | 59.3 | Low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -55.8 | 119.4 | 154.6 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 138 | S | 59 | Low | 58.8 | Low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -154.7 | 136.3 | 148.4 | -127.6 | 0 | 0 | 0 | 0 | 109.2 | L136 | L136-S138 PolarHBondContact O-N 3.42Š| ||
| 139 | D | 54.3 | Low | 58.6 | Low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -52.4 | 148.6 | -169.5 | -69.4 | -64.6 | 0 | 0 | 0 | 116.1 | ||||
| 140 | G | 49.4 | Very low | 58 | Low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 83.4 | 100.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 141 | A | 56.9 | Low | 57.8 | Low | 96 Ų | 96 | 137.7 Ų | 137.7 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | 169.8 | 139.2 | 117.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 142 | P | 59.5 | Low | 57.3 | Low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 149.2 | 179.7 | 31.7 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 143 | A | 58.3 | Low | 56.6 | Low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 146.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 144 | P | 65.6 | Low | 56.1 | Low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 127.4 | 157.6 | 31.6 | -28.7 | 0 | 0 | 0 | 110.9 | ||
| 145 | D | 56.5 | Low | 55.7 | Low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 140.2 | 175.9 | -131.5 | -31.1 | 0 | 0 | 0 | 113.8 | H147 | D145-H147 PolarHBondContact O-N 2.71Š|
| 146 | F | 57 | Low | 55.3 | Low | 202 Ų | 202 | 151 Ų | 151 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 84.4 | 172.7 | -79.5 | -90.2 | 0 | 0 | 0 | 110.2 | Y148 | F146-Y148 PolarHBondContact O-N 3.32Å; F146-Y148 VanDerWaalsContact O-N 3.15Å | ||
| 147 | H | 58.8 | Low | 55.3 | Low | 165 Ų | 165 | 150.5 Ų | 150.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -83.2 | 83.2 | 167.2 | -110 | 73.7 | 0 | 0 | 0 | 110.6 | D145 H149 | D145-H147 PolarHBondContact O-N 2.71Å; H147-H149 VanDerWaalsContact C-N 3.25Å; H147-H149 PolarHBondContact O-N 2.97Å | ||
| 148 | Y | 47.9 | Very low | 55.6 | Low | 217 Ų | 217 | 150.6 Ų | 150.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -71.7 | 82.9 | 166.5 | -153.1 | -89.2 | 0 | 0 | 0 | 108.7 | F146 N150 | F146-Y148 PolarHBondContact O-N 3.32Å; F146-Y148 VanDerWaalsContact O-N 3.15Å; Y148-N150 PolarHBondContact O-N 3.42Å; Y148-N150 VanDerWaalsContact O-N 3.09Å | ||
| 149 | H | 60.8 | Low | 55.7 | Low | 121 Ų | 121 | 153.1 Ų | 153.1 | 56% | 0.56 | 79% | 0.787 | S | S | * | * | trans | -79.4 | 95.7 | 176.7 | -170 | 58 | 0 | 0 | 0 | 109.9 | H147 Q151 | H147-H149 VanDerWaalsContact C-N 3.25Å; H147-H149 PolarHBondContact O-N 2.97Å; H149-Q151 WeakPolarHBondContact CD2-CG 3.23Å; H149-Q151 WeakPolarHBondContact NE2-CG 2.94Å; H149-Q151 PolarHBondContact O-N 3.43Å; H149-Q151 VanDerWaalsContact O-N 3.1Å | ||
| 150 | N | 54.5 | Low | 55.7 | Low | 100 Ų | 100 | 150.7 Ų | 150.7 | 54% | 0.535 | 78% | 0.781 | S | S | . | * | trans | -68.1 | 96.5 | 169.4 | -173.7 | -14 | 0 | 0 | 0 | 109.8 | Y148 F152 | Y148-N150 PolarHBondContact O-N 3.42Å; Y148-N150 VanDerWaalsContact O-N 3.09Å; N150-F152 PolarHBondContact O-N 3.34Å; N150-F152 WeakPolarHBondContact OD1-CD2 2.99Å; N150-F152 PolarHBondContact OD1-N 2.95Å | ||
| 151 | Q | 61.5 | Low | 55.9 | Low | 153 Ų | 153 | 153 Ų | 153 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -81.9 | 39.1 | 174.8 | -78.4 | -158.2 | -1.7 | 0 | 0 | 114.3 | H149 Q153 | H149-Q151 WeakPolarHBondContact CD2-CG 3.23Å; H149-Q151 WeakPolarHBondContact NE2-CG 2.94Å; H149-Q151 PolarHBondContact O-N 3.43Å; H149-Q151 VanDerWaalsContact O-N 3.1Å; Q151-Q153 PolarHBondContact O-N 3.03Å | ||
| 152 | F | 57.3 | Low | 56.4 | Low | 189 Ų | 189 | 154.2 Ų | 154.2 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -77.4 | 59.7 | 162.3 | -74.4 | -61.3 | 0 | 0 | 0 | 111.2 | N150 R154 | N150-F152 PolarHBondContact O-N 3.34Å; N150-F152 WeakPolarHBondContact OD1-CD2 2.99Å; N150-F152 PolarHBondContact OD1-N 2.95Å; F152-R154 PolarHBondContact O-N 3.2Å | ||
| 153 | Q | 53.1 | Low | 56.5 | Low | 162 Ų | 162 | 154.2 Ų | 154.2 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -91 | 97.1 | 166.5 | -71.3 | -167.7 | 5.7 | 0 | 0 | 109.9 | Q151 | Q151-Q153 PolarHBondContact O-N 3.03Š| ||
| 154 | R | 46.2 | Very low | 56.1 | Low | 234 Ų | 234 | 157.8 Ų | 157.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | 18.8 | 112.2 | 129.4 | -62.7 | -169.3 | 152.6 | -135.3 | -8.1 | 115.8 | F152 | F152-R154 PolarHBondContact O-N 3.2Š| |||
| 155 | R | 52.1 | Low | 55.3 | Low | 250 Ų | 250 | 162.9 Ų | 162.9 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | -168 | 135.8 | 115.7 | -102.3 | 163.9 | -169 | -167 | 4.1 | 111.4 | |||||
| 156 | L | 44.9 | Very low | 55.2 | Low | 169 Ų | 169 | 166 Ų | 166 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -64.3 | 127.1 | 179.2 | -57.3 | 159.8 | 0 | 0 | 0 | 109 | ||||
| 157 | L | 58.9 | Low | 55.1 | Low | 146 Ų | 146 | 160.3 Ų | 160.3 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -155.8 | 124.6 | 152.4 | -142.6 | 70.4 | 0 | 0 | 0 | 110.6 | ||||
| 158 | P | 55.2 | Low | 54.8 | Low | 115 Ų | 115 | 159 Ų | 159 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 125.4 | 173.7 | 30 | -28.4 | 0 | 0 | 0 | 108.9 | ||
| 159 | Q | 61.7 | Low | 55.4 | Low | 170 Ų | 170 | 154.6 Ų | 154.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 128.8 | 173.5 | -69.9 | -72 | 22.3 | 0 | 0 | 110.2 | ||
| 160 | P | 52.6 | Low | 54.8 | Low | 111 Ų | 111 | 153.7 Ų | 153.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 144.8 | 176.2 | 32.1 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 161 | T | 55 | Low | 55.1 | Low | 126 Ų | 126 | 155 Ų | 155 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 135.1 | 174.9 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 162 | P | 66.4 | Low | 54.3 | Low | 121 Ų | 121 | 152.7 Ų | 152.7 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 121 | 165.5 | 29.6 | -30.5 | 0 | 0 | 0 | 111 | ||
| 163 | T | 62.2 | Low | 54.2 | Low | 128 Ų | 128 | 148.8 Ų | 148.8 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.3 | 168.5 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 164 | L | 49 | Very low | 54.1 | Low | 167 Ų | 167 | 147.5 Ų | 147.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 124.7 | 175.4 | -71.1 | 172.4 | 0 | 0 | 0 | 111 | ||
| 165 | Y | 50.5 | Low | 54.7 | Low | 232 Ų | 232 | 142.9 Ų | 142.9 | 91% | 0.91 | 80% | 0.804 | S | S | * | * | trans | -107.5 | 107 | 160.3 | -113.4 | -92.5 | 0 | 0 | 0 | 107.4 | ||||
| 166 | Y | 53.8 | Low | 55.3 | Low | 207 Ų | 207 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -99.1 | 102.6 | 171 | -161.9 | -94.7 | 0 | 0 | 0 | 108.4 | N168 | Y166-N168 HydrophobicContact CD1-CB 4.42Å; Y166-N168 HydrophobicContact CE1-CB 4.4Å | ||
| 167 | A | 54.1 | Low | 56.3 | Low | 83 Ų | 83 | 135.3 Ų | 135.3 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 111.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | T169 | A167-T169 PolarHBondContact O-N 3.39Š| ||
| 168 | N | 53.6 | Low | 56.7 | Low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -81.7 | 93.7 | 174.3 | 48.3 | -23.9 | 0 | 0 | 0 | 110.2 | Y166 | Y166-N168 HydrophobicContact CD1-CB 4.42Å; Y166-N168 HydrophobicContact CE1-CB 4.4Å | ||
| 169 | T | 60.7 | Low | 57.3 | Low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -90.9 | 103 | 162.6 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | A167 T171 | A167-T169 PolarHBondContact O-N 3.39Å; T169-T171 PolarHBondContact O-N 3.18Å | ||
| 170 | A | 48.2 | Very low | 57.5 | Low | 103 Ų | 103 | 132 Ų | 132 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -63.1 | 120.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 171 | T | 60.5 | Low | 57.9 | Low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -128.1 | 100 | 159.8 | 11.1 | 0 | 0 | 0 | 0 | 107.6 | T169 S173 | T169-T171 PolarHBondContact O-N 3.18Å; T171-S173 PolarHBondContact O-N 3.37Å | ||
| 172 | A | 44.9 | Very low | 58.2 | Low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -64.3 | 122.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 173 | S | 53.8 | Low | 58.1 | Low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -119.2 | 109.7 | 167.7 | -65.5 | 0 | 0 | 0 | 0 | 107.8 | T171 V175 | T171-S173 PolarHBondContact O-N 3.37Å; S173-V175 PolarHBondContact O-N 3.38Å | ||
| 174 | T | 52.9 | Low | 57.5 | Low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 114.4 | 173.2 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 175 | V | 58.6 | Low | 58.5 | Low | 136 Ų | 136 | 135.1 Ų | 135.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -97.7 | 104.9 | 166.8 | 171.9 | 0 | 0 | 0 | 0 | 108.4 | S173 T177 | S173-V175 PolarHBondContact O-N 3.38Å; V175-T177 PolarHBondContact O-N 3.36Å | ||
| 176 | T | 64.2 | Low | 58.7 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 116.9 | 167.7 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 177 | T | 65.2 | Low | 58.2 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 120.7 | 168.4 | -154.3 | 0 | 0 | 0 | 0 | 108.8 | V175 | V175-T177 PolarHBondContact O-N 3.36Š|
| 178 | S | 67.3 | Low | 58.6 | Low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129.4 | 177 | 48.4 | 0 | 0 | 0 | 0 | 110 | ||
| 179 | V | 68.8 | Low | 58.8 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 137.9 | 171.5 | -82.6 | 0 | 0 | 0 | 0 | 110.9 | T181 | V179-T181 PolarHBondContact O-N 3.15Š|
| 180 | P | 64.9 | Low | 58.6 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 117.4 | 171.8 | 29.7 | -30.7 | 0 | 0 | 0 | 110.9 | R182 | P180-R182 PolarHBondContact O-N 2.96Š|
| 181 | T | 60.8 | Low | 59.1 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -58.7 | 115 | 167.9 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | V179 V183 | V179-T181 PolarHBondContact O-N 3.15Å; T181-V183 PolarHBondContact O-N 3.09Å | ||
| 182 | R | 62.5 | Low | 59 | Low | 240 Ų | 240 | 131.3 Ų | 131.3 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -78.3 | 115.9 | 166.3 | -172.6 | -178.8 | -179.6 | -172.3 | 0.6 | 108.6 | P180 A184 | P180-R182 PolarHBondContact O-N 2.96Å; R182-A184 PolarHBondContact O-N 2.95Å | ||
| 183 | V | 62.7 | Low | 59.7 | Low | 123 Ų | 123 | 132 Ų | 132 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -61.1 | 127.5 | 175 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | T181 | T181-V183 PolarHBondContact O-N 3.09Š| ||
| 184 | A | 50.2 | Low | 59.4 | Low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 133.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | R182 | R182-A184 PolarHBondContact O-N 2.95Š| ||
| 185 | V | 70.9 | Confident | 59.7 | Low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -104.5 | 134.4 | 168.9 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 186 | P | 53.3 | Low | 59.4 | Low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 124 | -173.8 | 31.1 | -31.7 | 0 | 0 | 0 | 113 | ||||
| 187 | Q | 43.7 | Very low | 59.3 | Low | 186 Ų | 186 | 128.7 Ų | 128.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | 28.7 | 116.2 | 129.6 | -153.7 | 175.8 | 26.9 | 0 | 0 | 119.7 | |||||
| 188 | E | 63.6 | Low | 58.7 | Low | 187 Ų | 187 | 127.7 Ų | 127.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 134.9 | 149.5 | -167.5 | -172.4 | 128.9 | 0 | 0 | 108.8 | ||||
| 189 | P | 57.9 | Low | 58.3 | Low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -111.4 | 133.5 | -176.8 | 36.2 | -24.4 | 0 | 0 | 0 | 113.1 | ||||
| 190 | A | 55.6 | Low | 58 | Low | 84 Ų | 84 | 127.9 Ų | 127.9 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | -175.7 | 121 | 154.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 191 | I | 58.4 | Low | 57.2 | Low | 163 Ų | 163 | 129.7 Ų | 129.7 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | 85.4 | 88 | 139 | -49.8 | 161.2 | 0 | 0 | 0 | 119 | ||||
| 192 | A | 59.1 | Low | 56.9 | Low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | 18.6 | 174.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 193 | P | 58.9 | Low | 56.1 | Low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | -136.5 | 171 | -58.6 | 39.6 | -23.4 | 0 | 0 | 0 | 114.6 | |||||
| 194 | A | 49.1 | Very low | 55.7 | Low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 65.7 | 120.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 195 | V | 59 | Low | 55.5 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | 175.2 | 122.9 | 112.3 | -82.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 196 | G | 51.6 | Low | 54.2 | Low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | 71.5 | 123.5 | 107.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 197 | S | 61.5 | Low | 54.5 | Low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | cis | -172.3 | 164.7 | 45 | -77.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 198 | S | 53.5 | Low | 54.8 | Low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -68.2 | -175.8 | -175.4 | -158.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 199 | T | 57.8 | Low | 54.5 | Low | 136 Ų | 136 | 125 Ų | 125 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | 116.9 | 128.9 | 161.2 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 200 | S | 62.8 | Low | 54.3 | Low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | cis | -166.1 | 144.5 | -3.5 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 201 | L | 49.1 | Very low | 53.8 | Low | 164 Ų | 164 | 133 Ų | 133 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -73.8 | 140.8 | 166.3 | -78.5 | 159.4 | 0 | 0 | 0 | 110.6 | ||||
| 202 | Q | 53.5 | Low | 53.3 | Low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -158.8 | 110.8 | 152.8 | -159.5 | 102.3 | 37.1 | 0 | 0 | 110.5 | ||||
| 203 | E | 45.5 | Very low | 52.8 | Low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -108.3 | 146.4 | 164 | -175.6 | 177.4 | 102.9 | 0 | 0 | 107.8 | ||||
| 204 | P | 55.4 | Low | 52.4 | Low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -137 | 119.5 | 149.2 | 32.3 | -15.9 | 0 | 0 | 0 | 114.1 | ||||
| 205 | Q | 45.9 | Very low | 52.4 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | 54.2 | 132.6 | 118.4 | -58 | -62.7 | -28.5 | 0 | 0 | 121.9 | |||||
| 206 | V | 43.9 | Very low | 52.2 | Low | 136 Ų | 136 | 136.7 Ų | 136.7 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -67.3 | 147.6 | 175.6 | 138.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 207 | G | 58.5 | Low | 51.5 | Low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -155 | 124.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 208 | T | 51.2 | Low | 50.7 | Low | 139 Ų | 139 | 141.3 Ų | 141.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -86 | 174.6 | -170.9 | 14.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 209 | P | 56.7 | Low | 50.5 | Low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -104.2 | 169.5 | -146.7 | 41.4 | -37.6 | 0 | 0 | 0 | 116 | ||||
| 210 | E | 54.4 | Low | 49.8 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -146.2 | 116.4 | 165.4 | -163.2 | -160.2 | 141.6 | 0 | 0 | 113.1 | ||||
| 211 | E | 44.6 | Very low | 49 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 20.2 | 129.1 | 137.6 | -138.2 | 170.9 | 113 | 0 | 0 | 122.4 | ||||
| 212 | A | 48.2 | Very low | 48.6 | Very low | 71 Ų | 71 | 146.1 Ų | 146.1 | 59% | 0.587 | 81% | 0.811 | S | S | * | * | 139.7 | 135 | 106.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 213 | R | 48.6 | Very low | 48 | Very low | 253 Ų | 253 | 140.3 Ų | 140.3 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | trans | 82.3 | 126.4 | 160.1 | -55.6 | 171.3 | 173.9 | 144.1 | 0.5 | 116.2 | ||||
| 214 | G | 48.7 | Very low | 48.2 | Very low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | cis | 169 | 151.3 | 3.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 215 | E | 49.5 | Very low | 48 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 73 | 142.7 | 148 | -52.7 | -71.2 | 140.3 | 0 | 0 | 122 | ||||
| 216 | A | 54.4 | Low | 48.4 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 80.4 | 107.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 217 | G | 37.4 | Very low | 48.7 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | cis | 115.4 | 73 | 26 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 218 | W | 45.9 | Very low | 48 | Very low | 229 Ų | 229 | 153.2 Ų | 153.2 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -136.6 | 89.5 | 167.8 | -63.6 | 102.6 | 0 | 0 | 0 | 108.7 | Y220 | W218-Y220 PolarHBondContact O-N 3.1Š| ||
| 219 | D | 48.8 | Very low | 47.8 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -63.7 | 108 | 166.5 | -89.2 | -61.5 | 0 | 0 | 0 | 109.4 | ||||
| 220 | Y | 43.1 | Very low | 47.4 | Very low | 219 Ų | 219 | 149.2 Ų | 149.2 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -95.3 | 110.5 | 165.3 | -99.8 | -91.3 | 0 | 0 | 0 | 108.4 | W218 | W218-Y220 PolarHBondContact O-N 3.1Š| ||
| 221 | N | 45.9 | Very low | 47.1 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -112.6 | 117.3 | 170.2 | -114.6 | -50.2 | 0 | 0 | 0 | 109.2 | ||||
| 222 | G | 39.9 | Very low | 47.3 | Very low | 83 Ų | 83 | 144.3 Ų | 144.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 83.6 | 113.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 223 | G | 40.7 | Very low | 47.1 | Very low | 62 Ų | 62 | 147 Ų | 147 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | trans | 151.1 | 85.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 224 | E | 49.8 | Very low | 46.8 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 42.3 | 84.4 | 148 | 64.2 | -153.9 | 139.4 | 0 | 0 | 118.9 | E226 | E224-E226 PolarHBondContact O-N 3.27Š| ||
| 225 | E | 51.4 | Low | 46.6 | Very low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | S | Bend | 21.2 | 80.3 | 127.4 | -162 | 171.1 | -159.3 | 0 | 0 | 117.9 | |||
| 226 | E | 53.9 | Low | 46.8 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -163 | -8.3 | 157.5 | -107 | 160.7 | -136.6 | 0 | 0 | 115.4 | E224 Y228 | E224-E226 PolarHBondContact O-N 3.27Å; E226-Y228 PolarHBondContact O-N 3.22Å | ||
| 227 | D | 50.3 | Low | 46.7 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 8.5 | -170.6 | -85.3 | -45.1 | 0 | 0 | 0 | 117.1 | ||
| 228 | Y | 45.6 | Very low | 47.3 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 5.4 | -170.9 | -72.2 | -81.7 | 0 | 0 | 0 | 116.8 | E226 | E226-Y228 PolarHBondContact O-N 3.22Š|
| 229 | A | 45.9 | Very low | 47.8 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -95.2 | 1.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 230 | A | 48.8 | Very low | 47.6 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -95.1 | 5.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 231 | A | 46.8 | Very low | 47.7 | Very low | 85 Ų | 85 | 147.5 Ų | 147.5 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -119.9 | 3.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 232 | L | 48.9 | Very low | 47.7 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -132.6 | 23.7 | -178.4 | -79.7 | 170.2 | 0 | 0 | 0 | 115.1 | ||
| 233 | L | 45.5 | Very low | 47.6 | Very low | 128 Ų | 128 | 157.1 Ų | 157.1 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | -126.3 | 59.6 | 176.2 | -163.5 | 69.8 | 0 | 0 | 0 | 111.4 | ||||
| 234 | W | 42.6 | Very low | 48 | Very low | 242 Ų | 242 | 160.9 Ų | 160.9 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -119.4 | 34.4 | 172.4 | -82 | 77.5 | 0 | 0 | 0 | 111.9 | ||||
| 235 | D | 44.5 | Very low | 48.4 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 59.7 | 172.3 | -151.5 | 26.8 | 0 | 0 | 0 | 109.7 | ||||
| 236 | E | 53.3 | Low | 48 | Very low | 158 Ų | 158 | 157 Ų | 157 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -101.2 | 126 | 165.3 | -81.2 | -143 | 156.3 | 0 | 0 | 110.3 | ||||
| 237 | P | 52.1 | Low | 47.8 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -71.3 | 138.6 | -175.1 | 30.2 | -34.2 | 0 | 0 | 0 | 111.1 | P239 | P237-P239 WeakPolarHBondContact O-CD 3.25Š| ||
| 238 | E | 49.3 | Very low | 47.8 | Very low | 164 Ų | 164 | 162.7 Ų | 162.7 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -20.5 | 107.3 | 168.8 | -65 | -81.8 | 155.2 | 0 | 0 | 114.6 | F240 | E238-F240 VanDerWaalsContact C-N 3.26Å; E238-F240 WeakPolarHBondContact O-CD2 3.4Å; E238-F240 PolarHBondContact O-N 3.46Å | ||
| 239 | P | 57.1 | Low | 47.9 | Very low | 122 Ų | 122 | 159.7 Ų | 159.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -79 | 87.6 | 164.3 | 30.7 | -30 | 0 | 0 | 0 | 108.6 | P237 F241 | P237-P239 WeakPolarHBondContact O-CD 3.25Å; P239-F241 PolarHBondContact O-N 2.9Å | ||
| 240 | F | 44.4 | Very low | 48 | Very low | 170 Ų | 170 | 163 Ų | 163 | 75% | 0.746 | 81% | 0.81 | S | S | * | * | trans | -24.9 | 127.6 | 140.4 | -79.8 | -80.9 | 0 | 0 | 0 | 112.4 | E238 | E238-F240 VanDerWaalsContact C-N 3.26Å; E238-F240 WeakPolarHBondContact O-CD2 3.4Å; E238-F240 PolarHBondContact O-N 3.46Å | ||
| 241 | F | 45.6 | Very low | 48 | Very low | 171 Ų | 171 | 167.4 Ų | 167.4 | 75% | 0.75 | 82% | 0.817 | S | S | * | * | trans | 60.7 | 104.5 | 161.4 | -67.3 | -89 | 0 | 0 | 0 | 118.9 | P239 | P239-F241 PolarHBondContact O-N 2.9Š| ||
| 242 | W | 45.1 | Very low | 48.1 | Very low | 233 Ų | 233 | 172.3 Ų | 172.3 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -130.7 | 75.8 | 142 | -120.1 | 60.5 | 0 | 0 | 0 | 109.9 | V245 | W242-V245 HydrophobicContact CE3-CG2 4.21Å; W242-V245 HydrophobicContact CH2-CG2 3.93Å; W242-V245 HydrophobicContact CZ3-CG2 3.54Å | ||
| 243 | F | 38.4 | Very low | 48 | Very low | 206 Ų | 206 | 172.2 Ų | 172.2 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -104 | 99.6 | 151.8 | -97 | -89.3 | 0 | 0 | 0 | 105.6 | ||||
| 244 | D | 49.4 | Very low | 48.2 | Very low | 141 Ų | 141 | 175.1 Ų | 175.1 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | trans | 178.3 | 87.2 | 132.3 | -138.1 | -19.3 | 0 | 0 | 0 | 110.5 | ||||
| 245 | V | 57.7 | Low | 48.6 | Very low | 101 Ų | 101 | 170.4 Ų | 170.4 | 61% | 0.612 | 82% | 0.821 | S | S | * | * | trans | -152.4 | 88 | 161.7 | -179 | 0 | 0 | 0 | 0 | 107 | W242 | W242-V245 HydrophobicContact CE3-CG2 4.21Å; W242-V245 HydrophobicContact CH2-CG2 3.93Å; W242-V245 HydrophobicContact CZ3-CG2 3.54Å | ||
| 246 | F | 43 | Very low | 48.9 | Very low | 192 Ų | 192 | 171.3 Ų | 171.3 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 160.3 | 80.1 | 136.5 | -131.7 | -99.4 | 0 | 0 | 0 | 110.3 | ||
| 247 | L | 50.2 | Low | 48.5 | Very low | 171 Ų | 171 | 172.4 Ų | 172.4 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -163.1 | 68 | 161.5 | -131.4 | 86.6 | 0 | 0 | 0 | 111.9 | ||||
| 248 | K | 50.2 | Low | 48.2 | Very low | 285 Ų | 285 | 177.8 Ų | 177.8 | 100% | 1.239 | 84% | 0.835 | S | S | * | * | trans | -163.7 | 0 | 155.7 | -159.1 | 90.6 | 169.9 | -177.1 | 0 | 109.5 |
Retrieved 248 of 248 residues in 49.3 ms
(Link to these results)