| 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 | 27.9 | Very low | 22.1 | Very low | 251 Ų | 251 | 144.5 Ų | 144.5 | 100% | 1.236 | 82% | 0.823 | S | S | * | * | 0 | 120.4 | 0 | -78.7 | 173 | 116.8 | 0 | 0 | 108.2 | |||||
| 2 | T | 21.2 | Very low | 22.1 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -75.2 | 130.1 | -169.4 | 42.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | C | 22.1 | Very low | 22.1 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | -162.6 | 125.7 | 120.2 | -101 | 0 | 0 | 0 | 0 | 111 | |||||
| 4 | L | 21.7 | Very low | 22.4 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 134.2 | -178.6 | -71.6 | 119.9 | 0 | 0 | 0 | 111.5 | ||||
| 5 | I | 21.6 | Very low | 22.6 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | 59.9 | 129.3 | 89.1 | -56.1 | 179.2 | 0 | 0 | 0 | 112.1 | |||||
| 6 | S | 20.2 | Very low | 23 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | cis | -163.5 | 157.4 | 25 | 22 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 7 | F | 22 | Very low | 23.4 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 152.3 | 161.7 | -82.4 | -105.4 | 0 | 0 | 0 | 112.9 | ||||
| 8 | V | 21.2 | Very low | 23.9 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -144.4 | 133.6 | 139.6 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | T | 21.2 | Very low | 24.6 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -83.4 | 170.3 | 179.1 | 40.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 10 | T | 22.1 | Very low | 25.1 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 72.3 | 117 | 159.3 | 60.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 11 | C | 21.8 | Very low | 25.9 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | trans | -145.3 | 91.4 | 135.5 | -103.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 12 | S | 22.1 | Very low | 26.1 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -56.4 | 133.2 | 141.3 | 30.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 13 | H | 22.7 | Very low | 26.8 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 82% | 0.819 | 69% | 0.687 | S | S | * | * | trans | 71.6 | 74 | -178.3 | -55.1 | -80.7 | 0 | 0 | 0 | 117 | V15 | H13-V15 PolarHBondContact O-N 2.92Š| ||
| 14 | C | 25.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | trans | -93.3 | 84.2 | 156.4 | -91.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | V | 26.2 | Very low | 28.2 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | trans | -68.7 | 134.8 | 146.7 | 176.7 | 0 | 0 | 0 | 0 | 106.4 | H13 | H13-V15 PolarHBondContact O-N 2.92Š| ||
| 16 | T | 28.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 89.5 | 108.1 | -176 | 75.9 | 0 | 0 | 0 | 0 | 116.5 | K18 | T16-K18 PolarHBondContact O-N 3.34Š|
| 17 | S | 30.5 | Very low | 29.2 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | trans | -66.7 | 95.1 | 177 | 36.2 | 0 | 0 | 0 | 0 | 112.8 | E74 | S17-E74 PolarHBondContact OG-OE1 3.18Š| ||
| 18 | K | 32.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 106 Ų | 106 | 67% | 0.674 | 60% | 0.6 | S | S | * | * | trans | -137.8 | 104.3 | 164.7 | -70.5 | -175.6 | -178 | 172.8 | 0 | 111.1 | T16 | T16-K18 PolarHBondContact O-N 3.34Š| ||
| 19 | C | 36.1 | Very low | 30.6 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | trans | -83.7 | 132.6 | 168.4 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 20 | F | 35 | Very low | 31.1 | Very low | 124 Ų | 124 | 100.2 Ų | 100.2 | 54% | 0.544 | 57% | 0.567 | S | S | . | * | trans | -98.2 | 127.2 | 177.4 | -72.2 | -92.7 | 0 | 0 | 0 | 110.8 | V69 | F20-V69 HydrophobicContact CD1-CG2 4.19Å; F20-V69 HydrophobicContact CE1-CG2 4.04Å | ||
| 21 | V | 42 | Very low | 31.6 | Very low | 7 Ų | 7 | 100 Ų | 100 | 4% | 0.042 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 112.4 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | L24 N67 I68 L93 V95 | V21-L24 HydrophobicContact CG1-CD1 4.02Å; V21-L24 HydrophobicContact CG1-CG 4.47Å; V21-N67 WeakPolarHBondContact O-CA 3.35Å; V21-N67 WeakPolarHBondContact O-CB 3.45Å; V21-I68 PolarHBondContact O-N 3.29Å; V21-L93 HydrophobicContact CG1-CB 4.2Å; V21-L93 HydrophobicContact CG2-CB 4.3Å; V21-L93 HydrophobicContact CG2-CD1 4.08Å; V21-V95 HydrophobicContact CG1-CG2 3.78Å |
| 22 | K | 33.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 97.1 Ų | 97.1 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125.2 | 169.2 | -93.1 | 178 | 173.3 | 179.7 | 0 | 109 | N67 | K22-N67 WeakPolarHBondContact CA-OD1 3.47Å; K22-N67 VanDerWaalsContact CG-OD1 3.24Å; K22-N67 WeakPolarHBondContact CG-OD1 3.37Å |
| 23 | N | 34 | Very low | 32.7 | Very low | 131 Ų | 131 | 98.5 Ų | 98.5 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | trans | 89.1 | 62.5 | -178.4 | -71.9 | -27.6 | 0 | 0 | 0 | 117.1 | ||||
| 24 | L | 38.3 | Very low | 33.2 | Very low | 25 Ų | 25 | 92 Ų | 92 | 13% | 0.131 | 53% | 0.532 | C | S | . | . | trans | -110.2 | 108.5 | 149.1 | -84.7 | 154.1 | 0 | 0 | 0 | 108.6 | V21 K26 L29 N66 I68 V95 | V21-L24 HydrophobicContact CG1-CD1 4.02Å; V21-L24 HydrophobicContact CG1-CG 4.47Å; L24-K26 PolarHBondContact O-N 3.46Å; L24-L29 HydrophobicContact CB-CD1 4.3Å; L24-L29 HydrophobicContact CD1-CD1 4.46Å; L24-L29 HydrophobicContact CD2-CD1 3.91Å; L24-L29 HydrophobicContact CG-CD1 4.45Å; L24-N66 PolarHBondContact N-O 3.04Å; L24-I68 HydrophobicContact CB-CB 4.27Å; L24-I68 HydrophobicContact CB-CD1 3.4Å; L24-I68 HydrophobicContact CB-CG1 3.74Å; L24-I68 HydrophobicContact CD1-CB 3.75Å; L24-I68 HydrophobicContact CD1-CD1 3.95Å; L24-I68 HydrophobicContact CD1-CG1 4.15Å; L24-I68 HydrophobicContact CD1-CG2 4.26Å; L24-I68 HydrophobicContact CG-CD1 4.2Å; L24-V95 HydrophobicContact CD1-CG2 4.16Å; L24-V95 HydrophobicContact CD2-CB 4.08Å; L24-V95 HydrophobicContact CD2-CG1 3.94Å; L24-V95 HydrophobicContact CG-CB 4.33Å; L24-V95 HydrophobicContact CG-CG2 4.36Å | ||
| 25 | S | 35.7 | Very low | 33.8 | Very low | 70 Ų | 70 | 89.2 Ų | 89.2 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | trans | -55.9 | 126 | 170.9 | 162.5 | 0 | 0 | 0 | 0 | 109.6 | N27 S28 | S25-N27 PolarHBondContact O-N 3.21Å; S25-N27 PolarHBondContact OG-N 3.35Å; S25-S28 PolarHBondContact O-N 2.97Å; S25-S28 PolarHBondContact O-OG 2.6Å | ||
| 26 | K | 32.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 85 Ų | 85 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -25.3 | 177.1 | -89.4 | 179.2 | 173.6 | 179 | 0 | 113.7 | L24 L62 | L24-K26 PolarHBondContact O-N 3.46Å; K26-L62 VanDerWaalsContact NZ-CD2 3.31Å |
| 27 | N | 30.3 | Very low | 34.9 | Very low | 135 Ų | 135 | 81.9 Ų | 81.9 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13.1 | -172.9 | -73.9 | -4.7 | 0 | 0 | 0 | 114.8 | S25 | S25-N27 PolarHBondContact O-N 3.21Å; S25-N27 PolarHBondContact OG-N 3.35Å |
| 28 | S | 34.4 | Very low | 35.4 | Very low | 39 Ų | 39 | 78 Ų | 78 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -92.4 | -14.1 | -177.7 | 35.9 | 0 | 0 | 0 | 0 | 114.5 | S25 | S25-S28 PolarHBondContact O-N 2.97Å; S25-S28 PolarHBondContact O-OG 2.6Å |
| 29 | L | 38.2 | Very low | 35.6 | Very low | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -101.2 | -14.1 | -175.7 | -91 | 145.2 | 0 | 0 | 0 | 115.6 | L24 V31 L32 I58 I68 | L24-L29 HydrophobicContact CB-CD1 4.3Å; L24-L29 HydrophobicContact CD1-CD1 4.46Å; L24-L29 HydrophobicContact CD2-CD1 3.91Å; L24-L29 HydrophobicContact CG-CD1 4.45Å; L29-V31 PolarHBondContact O-N 2.79Å; L29-L32 HydrophobicContact CD2-CD1 3.99Å; L29-L32 HydrophobicContact CG-CD1 4.21Å; L29-I58 HydrophobicContact CD2-CD1 3.84Å; L29-I68 HydrophobicContact CD1-CD1 3.09Å |
| 30 | S | 32.2 | Very low | 36 | Very low | 86 Ų | 86 | 70.9 Ų | 70.9 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -9.8 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 31 | V | 31.4 | Very low | 36 | Very low | 118 Ų | 118 | 70.5 Ų | 70.5 | 72% | 0.715 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -0.6 | -171.3 | -170.4 | 0 | 0 | 0 | 0 | 113.4 | L29 S33 | L29-V31 PolarHBondContact O-N 2.79Å; V31-S33 PolarHBondContact O-N 2.87Å |
| 32 | L | 34.6 | Very low | 36.2 | Very low | 47 Ų | 47 | 71.3 Ų | 71.3 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | trans | -90.1 | 110.7 | -170 | -69.6 | 160.2 | 0 | 0 | 0 | 111.9 | L29 V36 | L29-L32 HydrophobicContact CD2-CD1 3.99Å; L29-L32 HydrophobicContact CG-CD1 4.21Å; L32-V36 HydrophobicContact CB-CG2 4.44Å; L32-V36 HydrophobicContact CD1-CG2 3.74Å; L32-V36 HydrophobicContact CD2-CG2 4.39Å; L32-V36 HydrophobicContact CG-CG2 4.41Å | ||
| 33 | S | 32.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 69.5 Ų | 69.5 | 87% | 0.874 | 41% | 0.411 | S | S | * | . | trans | -99.6 | 18.5 | 173.7 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | V31 | V31-S33 PolarHBondContact O-N 2.87Š| ||
| 34 | G | 33.7 | Very low | 36.7 | Very low | 39 Ų | 39 | 70.6 Ų | 70.6 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -152.8 | 171.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 35 | P | 37.6 | Very low | 36.6 | Very low | 52 Ų | 52 | 72.3 Ų | 72.3 | 34% | 0.338 | 42% | 0.418 | S | S | . | . | trans | -58.9 | 137 | 178.1 | 24.9 | -33.9 | 0 | 0 | 0 | 111.2 | ||||
| 36 | V | 37.4 | Very low | 36.7 | Very low | 32 Ų | 32 | 78.5 Ų | 78.5 | 19% | 0.194 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.4 | -178.4 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | L32 V38 V53 | L32-V36 HydrophobicContact CB-CG2 4.44Å; L32-V36 HydrophobicContact CD1-CG2 3.74Å; L32-V36 HydrophobicContact CD2-CG2 4.39Å; L32-V36 HydrophobicContact CG-CG2 4.41Å; V36-V38 HydrophobicContact CG1-CG2 4.19Å; V36-V53 PolarHBondContact N-O 2.73Å; V36-V53 PolarHBondContact O-N 2.92Å |
| 37 | V | 40.7 | Very low | 36.9 | Very low | 50 Ų | 50 | 76.6 Ų | 76.6 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | L50 | V37-L50 HydrophobicContact CB-CD2 4.47Å; V37-L50 HydrophobicContact CG1-CD2 3Å; V37-L50 HydrophobicContact CG1-CG 4.42Å |
| 38 | V | 41.2 | Very low | 37.3 | Very low | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.2 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | V36 L40 I51 V53 V95 | V36-V38 HydrophobicContact CG1-CG2 4.19Å; V38-L40 HydrophobicContact CG1-CD2 4.03Å; V38-I51 PolarHBondContact N-O 2.86Å; V38-I51 PolarHBondContact O-N 2.8Å; V38-I51 VanDerWaalsContact O-N 3.16Å; V38-V53 HydrophobicContact CG2-CG2 4.23Å; V38-V95 HydrophobicContact CG1-CG1 4.15Å; V38-V95 HydrophobicContact CG1-CG2 4.04Å; V38-V95 HydrophobicContact CG2-CG1 4.34Å |
| 39 | K | 36.5 | Very low | 37.5 | Very low | 68 Ų | 68 | 72.4 Ų | 72.4 | 30% | 0.296 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.6 | 171.1 | -173.2 | 179.4 | -176.6 | -178.9 | 0 | 109.4 | P48 W98 | K39-P48 HydrophobicContact CD-CB 4.17Å; K39-P48 HydrophobicContact CG-CB 3.85Å; K39-W98 HydrophobicContact CD-CZ2 4.16Å |
| 40 | L | 43.6 | Very low | 37.7 | Very low | 20 Ų | 20 | 73.6 Ų | 73.6 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119 | 174.3 | -55.9 | 170 | 0 | 0 | 0 | 109.2 | V38 V49 I51 L93 | V38-L40 HydrophobicContact CG1-CD2 4.03Å; L40-V49 HydrophobicContact CB-CB 4.36Å; L40-V49 HydrophobicContact CD1-CB 4.24Å; L40-V49 HydrophobicContact CD1-CG1 4.31Å; L40-V49 PolarHBondContact N-O 2.88Å; L40-V49 PolarHBondContact O-N 2.82Å; L40-I51 HydrophobicContact CD1-CD1 3.34Å; L40-I51 HydrophobicContact CD1-CG1 3.79Å; L40-I51 HydrophobicContact CG-CD1 4.41Å; L40-L93 HydrophobicContact CB-CD2 4.48Å; L40-L93 HydrophobicContact CD2-CD2 3.17Å; L40-L93 HydrophobicContact CG-CD2 4.33Å |
| 41 | M | 34.3 | Very low | 38.3 | Very low | 117 Ų | 117 | 70.4 Ų | 70.4 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | trans | -98.9 | 104.6 | 169.5 | -65.8 | -86.4 | -73.1 | 0 | 0 | 107.4 | ||||
| 42 | I | 47.4 | Very low | 38.6 | Very low | 24 Ų | 24 | 68.7 Ų | 68.7 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | trans | -90.1 | 122.5 | 173.5 | -56.8 | 173.1 | 0 | 0 | 0 | 106 | K44 L45 L80 L87 | I42-K44 PolarHBondContact O-N 3.29Å; I42-L45 HydrophobicContact CB-CB 4.37Å; I42-L45 HydrophobicContact CG2-CD1 4.31Å; I42-L45 PolarHBondContact O-N 2.9Å; I42-L45 VanDerWaalsContact O-O 3.1Å; I42-L80 HydrophobicContact CD1-CD2 3.81Å; I42-L87 HydrophobicContact CG2-CD1 4.19Å | ||
| 43 | S | 38.2 | Very low | 39.1 | Very low | 100 Ų | 100 | 66.8 Ų | 66.8 | 70% | 0.699 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -1 | -172.2 | 54 | 0 | 0 | 0 | 0 | 116 | T91 | S43-T91 WeakPolarHBondContact OG-CG2 3.41Š|
| 44 | K | 38.8 | Very low | 39.4 | Very low | 155 Ų | 155 | 68.9 Ų | 68.9 | 67% | 0.674 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | 0.7 | 174.6 | -73.5 | -167.8 | 174.2 | -174.4 | 0 | 114.7 | I42 | I42-K44 PolarHBondContact O-N 3.29Š|
| 45 | L | 37.4 | Very low | 39.9 | Very low | 60 Ų | 60 | 75.2 Ų | 75.2 | 31% | 0.314 | 38% | 0.384 | S | S | . | . | trans | -116.2 | 122.4 | 169.9 | -89.9 | 92.5 | 0 | 0 | 0 | 109.1 | I42 V47 L84 | I42-L45 HydrophobicContact CB-CB 4.37Å; I42-L45 HydrophobicContact CG2-CD1 4.31Å; I42-L45 PolarHBondContact O-N 2.9Å; I42-L45 VanDerWaalsContact O-O 3.1Å; L45-V47 PolarHBondContact O-N 2.95Å; L45-V47 VanDerWaalsContact O-N 3.13Å; L45-L84 HydrophobicContact CD1-CD1 3.98Å; L45-L84 HydrophobicContact CD1-CD2 3.99Å; L45-L84 HydrophobicContact CD1-CG 4.48Å | ||
| 46 | E | 37.9 | Very low | 40.1 | Very low | 201 Ų | 201 | 80 Ų | 80 | 94% | 0.939 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -70.7 | 4 | 168.6 | -75.7 | -174.3 | 151.4 | 0 | 0 | 113.2 | ||
| 47 | V | 35.3 | Very low | 40.3 | Very low | 94 Ų | 94 | 80.4 Ų | 80.4 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -104.7 | 115 | -178.7 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | L45 V49 | L45-V47 PolarHBondContact O-N 2.95Å; L45-V47 VanDerWaalsContact O-N 3.13Å; V47-V49 PolarHBondContact O-N 2.83Å |
| 48 | P | 39.3 | Very low | 40.7 | Very low | 58 Ų | 58 | 79.7 Ų | 79.7 | 38% | 0.377 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 123.5 | 174.6 | 28 | -32.3 | 0 | 0 | 0 | 110.6 | K39 | K39-P48 HydrophobicContact CD-CB 4.17Å; K39-P48 HydrophobicContact CG-CB 3.85Å |
| 49 | V | 39.9 | Very low | 40.8 | Very low | 27 Ų | 27 | 80.6 Ų | 80.6 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.7 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | L40 V47 I51 V76 | L40-V49 HydrophobicContact CB-CB 4.36Å; L40-V49 HydrophobicContact CD1-CB 4.24Å; L40-V49 HydrophobicContact CD1-CG1 4.31Å; L40-V49 PolarHBondContact N-O 2.88Å; L40-V49 PolarHBondContact O-N 2.82Å; V47-V49 PolarHBondContact O-N 2.83Å; V49-I51 HydrophobicContact CG1-CG1 4.26Å; V49-V76 HydrophobicContact CG1-CG1 4.19Å |
| 50 | L | 41.1 | Very low | 41.1 | Very low | 66 Ų | 66 | 84.9 Ų | 84.9 | 35% | 0.346 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.7 | 176.9 | -89.9 | 124.6 | 0 | 0 | 0 | 111.4 | V37 C127 | V37-L50 HydrophobicContact CB-CD2 4.47Å; V37-L50 HydrophobicContact CG1-CD2 3Å; V37-L50 HydrophobicContact CG1-CG 4.42Å; L50-C127 HydrophobicContact CD1-CB 3.26Å; L50-C127 WeakPolarHBondContact CD1-SG 3.18Å |
| 51 | I | 45.1 | Very low | 40.8 | Very low | 18 Ų | 18 | 89.6 Ų | 89.6 | 9% | 0.092 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.9 | 175.9 | -51.6 | -167.6 | 0 | 0 | 0 | 108.3 | V38 L40 V49 V53 V73 V76 | V38-I51 PolarHBondContact N-O 2.86Å; V38-I51 PolarHBondContact O-N 2.8Å; V38-I51 VanDerWaalsContact O-N 3.16Å; L40-I51 HydrophobicContact CD1-CD1 3.34Å; L40-I51 HydrophobicContact CD1-CG1 3.79Å; L40-I51 HydrophobicContact CG-CD1 4.41Å; V49-I51 HydrophobicContact CG1-CG1 4.26Å; I51-V53 HydrophobicContact CG2-CG2 3.95Å; I51-V73 HydrophobicContact CD1-CG1 3.52Å; I51-V73 HydrophobicContact CG2-CG1 4.45Å; I51-V76 HydrophobicContact CD1-CB 4.47Å; I51-V76 HydrophobicContact CD1-CG1 4.09Å |
| 52 | S | 38.2 | Very low | 40.7 | Very low | 82 Ų | 82 | 89.4 Ų | 89.4 | 57% | 0.573 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 115 | 167.8 | 169 | 0 | 0 | 0 | 0 | 108.4 | ||
| 53 | V | 44.6 | Very low | 40 | Very low | 7 Ų | 7 | 92.8 Ų | 92.8 | 4% | 0.042 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.4 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | V36 V38 I51 D57 I58 L70 | V36-V53 PolarHBondContact N-O 2.73Å; V36-V53 PolarHBondContact O-N 2.92Å; V38-V53 HydrophobicContact CG2-CG2 4.23Å; I51-V53 HydrophobicContact CG2-CG2 3.95Å; V53-D57 HydrophobicContact CG1-CB 4.02Å; V53-I58 HydrophobicContact CG1-CD1 3.98Å; V53-I58 HydrophobicContact CG1-CG1 3.57Å; V53-L70 HydrophobicContact CB-CD2 4.46Å; V53-L70 HydrophobicContact CG1-CD2 3.74Å; V53-L70 HydrophobicContact CG2-CD1 4.29Å; V53-L70 HydrophobicContact CG2-CD2 4Å |
| 54 | R | 39 | Very low | 40 | Very low | 169 Ų | 169 | 94.8 Ų | 94.8 | 64% | 0.638 | 49% | 0.493 | S | S | * | . | trans | -82.6 | 156.4 | 170.4 | -60.7 | 178.5 | -74.4 | -166.7 | -5.4 | 109.9 | N56 D57 | R54-N56 PolarHBondContact O-N 3.39Å; R54-N56 VanDerWaalsContact O-N 3.1Å; R54-D57 VanDerWaalsContact CB-OD2 3.28Å; R54-D57 WeakPolarHBondContact CB-OD2 3.26Å; R54-D57 PolarHBondContact N-OD2 2.96Å; R54-D57 IonicContact NE-OD2 3.26Å; R54-D57 PolarHBondContact NE-OD2 3.47Å; R54-D57 WeakPolarHBondContact O-CB 2.96Å; R54-D57 PolarHBondContact O-N 3.22Å | ||
| 55 | R | 43.9 | Very low | 40 | Very low | 172 Ų | 172 | 89.8 Ų | 89.8 | 65% | 0.649 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -55.8 | -31.5 | -179.4 | -164.5 | 176.8 | -169 | 166.4 | 5.2 | 113.6 | D57 | R55-D57 VanDerWaalsContact C-N 3.3Š|
| 56 | N | 42.9 | Very low | 40.1 | Very low | 152 Ų | 152 | 91.7 Ų | 91.7 | 81% | 0.813 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -78.5 | -16.3 | 179.7 | -60.2 | -4.6 | 0 | 0 | 0 | 112.9 | R54 I58 | R54-N56 PolarHBondContact O-N 3.39Å; R54-N56 VanDerWaalsContact O-N 3.1Å; N56-I58 PolarHBondContact O-N 3.13Å |
| 57 | D | 42 | Very low | 40.1 | Very low | 41 Ų | 41 | 83.6 Ų | 83.6 | 22% | 0.219 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -87.8 | 11.7 | -179.3 | -59 | -25.1 | 0 | 0 | 0 | 110.9 | V53 R54 R55 I71 | V53-D57 HydrophobicContact CG1-CB 4.02Å; R54-D57 VanDerWaalsContact CB-OD2 3.28Å; R54-D57 WeakPolarHBondContact CB-OD2 3.26Å; R54-D57 PolarHBondContact N-OD2 2.96Å; R54-D57 IonicContact NE-OD2 3.26Å; R54-D57 PolarHBondContact NE-OD2 3.47Å; R54-D57 WeakPolarHBondContact O-CB 2.96Å; R54-D57 PolarHBondContact O-N 3.22Å; R55-D57 VanDerWaalsContact C-N 3.3Å; D57-I71 CarbonylContact C-O 3.46Å; D57-I71 VanDerWaalsContact CB-O 3.3Å; D57-I71 WeakPolarHBondContact CB-O 3.1Å; D57-I71 PolarHBondContact O-N 3.15Å |
| 58 | I | 47.7 | Very low | 40.5 | Very low | 35 Ų | 35 | 80.4 Ų | 80.4 | 18% | 0.179 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 108.2 | 179.6 | -56.6 | 177.2 | 0 | 0 | 0 | 108.6 | L29 V53 N56 Q60 I68 L70 | L29-I58 HydrophobicContact CD2-CD1 3.84Å; V53-I58 HydrophobicContact CG1-CD1 3.98Å; V53-I58 HydrophobicContact CG1-CG1 3.57Å; N56-I58 PolarHBondContact O-N 3.13Å; I58-Q60 PolarHBondContact O-N 2.81Å; I58-I68 HydrophobicContact CG2-CG2 3.39Å; I58-L70 HydrophobicContact CG1-CD2 4.15Å |
| 59 | A | 43 | Very low | 40.7 | Very low | 27 Ų | 27 | 78.7 Ų | 78.7 | 22% | 0.223 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | N61 V69 I71 | A59-N61 PolarHBondContact O-N 3.13Å; A59-V69 HydrophobicContact CB-CB 4.49Å; A59-V69 PolarHBondContact N-O 3.23Å; A59-I71 HydrophobicContact CB-CD1 3.14Å; A59-I71 HydrophobicContact CB-CG1 3.7Å |
| 60 | Q | 42.6 | Very low | 40.9 | Very low | 158 Ų | 158 | 79.4 Ų | 79.4 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | trans | -75.6 | 80.9 | 160.6 | -68.3 | -175.3 | 0.6 | 0 | 0 | 108.8 | I58 | I58-Q60 PolarHBondContact O-N 2.81Š| ||
| 61 | N | 38 | Very low | 40.8 | Very low | 118 Ų | 118 | 80.8 Ų | 80.8 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | trans | -95.2 | 95.2 | 164.7 | -136.3 | -0.4 | 0 | 0 | 0 | 108.6 | A59 T63 | A59-N61 PolarHBondContact O-N 3.13Å; N61-T63 PolarHBondContact O-N 3.47Å; N61-T63 VanDerWaalsContact O-N 3.1Å | ||
| 62 | L | 33.1 | Very low | 40.4 | Very low | 114 Ų | 114 | 82.9 Ų | 82.9 | 60% | 0.597 | 46% | 0.455 | S | S | * | . | trans | -73.8 | 88.3 | 179.3 | -76.6 | 135.6 | 0 | 0 | 0 | 109.8 | K26 | K26-L62 VanDerWaalsContact NZ-CD2 3.31Š| ||
| 63 | T | 32.9 | Very low | 40.6 | Very low | 95 Ų | 95 | 80 Ų | 80 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | trans | -101.9 | 160.9 | 154.8 | 57.9 | 0 | 0 | 0 | 0 | 109 | N61 S65 | N61-T63 PolarHBondContact O-N 3.47Å; N61-T63 VanDerWaalsContact O-N 3.1Å; T63-S65 PolarHBondContact O-N 3.13Å | ||
| 64 | S | 37.2 | Very low | 40.2 | Very low | 141 Ų | 141 | 86 Ų | 86 | 99% | 0.986 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -57.6 | 11.4 | -167.1 | 49.2 | 0 | 0 | 0 | 0 | 117.7 | ||
| 65 | S | 39.2 | Very low | 40 | Very low | 50 Ų | 50 | 85.9 Ų | 85.9 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -120.1 | 130.8 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 108.1 | T63 N67 | T63-S65 PolarHBondContact O-N 3.13Å; S65-N67 PolarHBondContact O-N 3.03Å; S65-N67 PolarHBondContact OG-ND2 3.22Å; S65-N67 VanDerWaalsContact OG-ND2 3.09Å |
| 66 | N | 40 | Very low | 39.7 | Very low | 101 Ų | 101 | 80.4 Ų | 80.4 | 54% | 0.54 | 45% | 0.453 | S | S | . | . | trans | -62.7 | 60.6 | -178.4 | -74 | -34 | 0 | 0 | 0 | 113.3 | L24 | L24-N66 PolarHBondContact N-O 3.04Š| ||
| 67 | N | 37.8 | Very low | 39.5 | Very low | 31 Ų | 31 | 77.2 Ų | 77.2 | 17% | 0.166 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.9 | -175.4 | -59.6 | -9.2 | 0 | 0 | 0 | 108.8 | V21 K22 S65 | V21-N67 WeakPolarHBondContact O-CA 3.35Å; V21-N67 WeakPolarHBondContact O-CB 3.45Å; K22-N67 WeakPolarHBondContact CA-OD1 3.47Å; K22-N67 VanDerWaalsContact CG-OD1 3.24Å; K22-N67 WeakPolarHBondContact CG-OD1 3.37Å; S65-N67 PolarHBondContact O-N 3.03Å; S65-N67 PolarHBondContact OG-ND2 3.22Å; S65-N67 VanDerWaalsContact OG-ND2 3.09Å |
| 68 | I | 43.2 | Very low | 39.2 | Very low | 26 Ų | 26 | 78.8 Ų | 78.8 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.7 | 177.8 | -62.7 | -171 | 0 | 0 | 0 | 108.3 | V21 L24 L29 I58 | V21-I68 PolarHBondContact O-N 3.29Å; L24-I68 HydrophobicContact CB-CB 4.27Å; L24-I68 HydrophobicContact CB-CD1 3.4Å; L24-I68 HydrophobicContact CB-CG1 3.74Å; L24-I68 HydrophobicContact CD1-CB 3.75Å; L24-I68 HydrophobicContact CD1-CD1 3.95Å; L24-I68 HydrophobicContact CD1-CG1 4.15Å; L24-I68 HydrophobicContact CD1-CG2 4.26Å; L24-I68 HydrophobicContact CG-CD1 4.2Å; L29-I68 HydrophobicContact CD1-CD1 3.09Å; I58-I68 HydrophobicContact CG2-CG2 3.39Å |
| 69 | V | 43.4 | Very low | 38.4 | Very low | 23 Ų | 23 | 85 Ų | 85 | 14% | 0.139 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.8 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | F20 A59 I71 | F20-V69 HydrophobicContact CD1-CG2 4.19Å; F20-V69 HydrophobicContact CE1-CG2 4.04Å; A59-V69 HydrophobicContact CB-CB 4.49Å; A59-V69 PolarHBondContact N-O 3.23Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å |
| 70 | L | 44 | Very low | 38.2 | Very low | 41 Ų | 41 | 85.6 Ų | 85.6 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.1 | 168.4 | -61.9 | 178.1 | 0 | 0 | 0 | 108.2 | V53 I58 V73 | V53-L70 HydrophobicContact CB-CD2 4.46Å; V53-L70 HydrophobicContact CG1-CD2 3.74Å; V53-L70 HydrophobicContact CG2-CD1 4.29Å; V53-L70 HydrophobicContact CG2-CD2 4Å; I58-L70 HydrophobicContact CG1-CD2 4.15Å; L70-V73 HydrophobicContact CB-CG2 3.6Å; L70-V73 HydrophobicContact CD1-CG2 4.47Å |
| 71 | I | 39.1 | Very low | 38.1 | Very low | 96 Ų | 96 | 82 Ų | 82 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -96.7 | 133.2 | 173.6 | -62.7 | -173.4 | 0 | 0 | 0 | 107.7 | D57 A59 V69 | D57-I71 CarbonylContact C-O 3.46Å; D57-I71 VanDerWaalsContact CB-O 3.3Å; D57-I71 WeakPolarHBondContact CB-O 3.1Å; D57-I71 PolarHBondContact O-N 3.15Å; A59-I71 HydrophobicContact CB-CD1 3.14Å; A59-I71 HydrophobicContact CB-CG1 3.7Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å |
| 72 | G | 36.2 | Very low | 38.1 | Very low | 62 Ų | 62 | 82.1 Ų | 82.1 | 64% | 0.639 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 102.8 | 9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E74 | G72-E74 PolarHBondContact O-N 3.25Š|
| 73 | V | 42 | Very low | 38.3 | Very low | 22 Ų | 22 | 83.8 Ų | 83.8 | 13% | 0.133 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.6 | 176.2 | -146.3 | 0 | 0 | 0 | 0 | 113.1 | I51 L70 Q75 V76 F77 | I51-V73 HydrophobicContact CD1-CG1 3.52Å; I51-V73 HydrophobicContact CG2-CG1 4.45Å; L70-V73 HydrophobicContact CB-CG2 3.6Å; L70-V73 HydrophobicContact CD1-CG2 4.47Å; V73-Q75 PolarHBondContact O-N 3.01Å; V73-V76 HydrophobicContact CG1-CB 4.12Å; V73-V76 HydrophobicContact CG1-CG2 4.44Å; V73-V76 PolarHBondContact O-N 2.89Å; V73-V76 VanDerWaalsContact O-N 3.13Å; V73-F77 HydrophobicContact CB-CD2 4.13Å; V73-F77 HydrophobicContact CB-CE2 4.29Å; V73-F77 HydrophobicContact CG1-CD2 3.82Å; V73-F77 HydrophobicContact CG1-CE2 3.82Å; V73-F77 PolarHBondContact O-N 3.43Å |
| 74 | E | 36.7 | Very low | 38.4 | Very low | 133 Ų | 133 | 81.6 Ų | 81.6 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58.8 | -32.7 | -175.5 | -73.7 | -164.2 | 150.4 | 0 | 0 | 113.3 | S17 G72 S78 | S17-E74 PolarHBondContact OG-OE1 3.18Å; G72-E74 PolarHBondContact O-N 3.25Å; E74-S78 PolarHBondContact O-N 3.05Å; E74-S78 VanDerWaalsContact O-N 3.15Å |
| 75 | Q | 34.3 | Very low | 38.4 | Very low | 166 Ų | 166 | 83.7 Ų | 83.7 | 78% | 0.776 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -78.3 | -23 | 179.3 | -68.1 | -149.5 | -9 | 0 | 0 | 114.8 | V73 | V73-Q75 PolarHBondContact O-N 3.01Å |
| 76 | V | 37.8 | Very low | 38 | Very low | 56 Ų | 56 | 88.9 Ų | 88.9 | 34% | 0.339 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -81 | -37.4 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | V49 I51 V73 L80 | V49-V76 HydrophobicContact CG1-CG1 4.19Å; I51-V76 HydrophobicContact CD1-CB 4.47Å; I51-V76 HydrophobicContact CD1-CG1 4.09Å; V73-V76 HydrophobicContact CG1-CB 4.12Å; V73-V76 HydrophobicContact CG1-CG2 4.44Å; V73-V76 PolarHBondContact O-N 2.89Å; V73-V76 VanDerWaalsContact O-N 3.13Å; V76-L80 PolarHBondContact O-N 3.28Å |
| 77 | F | 39.7 | Very low | 37.8 | Very low | 86 Ų | 86 | 87.3 Ų | 87.3 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.4 | -32.3 | 177 | -83 | -82.4 | 0 | 0 | 0 | 113 | V73 K79 L80 T81 | V73-F77 HydrophobicContact CB-CD2 4.13Å; V73-F77 HydrophobicContact CB-CE2 4.29Å; V73-F77 HydrophobicContact CG1-CD2 3.82Å; V73-F77 HydrophobicContact CG1-CE2 3.82Å; V73-F77 PolarHBondContact O-N 3.43Å; F77-K79 PolarHBondContact O-N 2.98Å; F77-L80 PolarHBondContact O-N 3.23Å; F77-T81 WeakPolarHBondContact O-CG2 3.37Å; F77-T81 PolarHBondContact O-N 2.83Å; F77-T81 PolarHBondContact O-OG1 2.96Å |
| 78 | S | 34.6 | Very low | 37.7 | Very low | 73 Ų | 73 | 91.9 Ų | 91.9 | 51% | 0.51 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -22.4 | 178.4 | 85.1 | 0 | 0 | 0 | 0 | 113.9 | E74 T81 | E74-S78 PolarHBondContact O-N 3.05Å; E74-S78 VanDerWaalsContact O-N 3.15Å; S78-T81 WeakPolarHBondContact CA-OG1 3.46Å; S78-T81 PolarHBondContact O-OG1 2.04Å |
| 79 | K | 31.9 | Very low | 37.3 | Very low | 167 Ų | 167 | 93.8 Ų | 93.8 | 73% | 0.726 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -87.6 | -19.4 | 171.9 | -90.4 | -177.9 | 175 | -179.8 | 0 | 113.7 | F77 T82 | F77-K79 PolarHBondContact O-N 2.98Å; K79-T82 PolarHBondContact O-OG1 3.18Å |
| 80 | L | 38.4 | Very low | 36.8 | Very low | 38 Ų | 38 | 99.3 Ų | 99.3 | 20% | 0.199 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -90 | -28 | 176.2 | -116.2 | 85 | 0 | 0 | 0 | 112.5 | I42 V76 F77 T82 L83 L84 | I42-L80 HydrophobicContact CD1-CD2 3.81Å; V76-L80 PolarHBondContact O-N 3.28Å; F77-L80 PolarHBondContact O-N 3.23Å; L80-T82 PolarHBondContact O-N 3.14Å; L80-L83 PolarHBondContact O-N 2.64Å; L80-L84 HydrophobicContact CD2-CD1 3.64Å; L80-L84 HydrophobicContact CG-CD1 4.06Å; L80-L84 PolarHBondContact O-N 2.96Å |
| 81 | T | 41.2 | Very low | 36.4 | Very low | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -22.5 | -178.8 | 38.4 | 0 | 0 | 0 | 0 | 113.6 | F77 S78 L83 | F77-T81 WeakPolarHBondContact O-CG2 3.37Å; F77-T81 PolarHBondContact O-N 2.83Å; F77-T81 PolarHBondContact O-OG1 2.96Å; S78-T81 WeakPolarHBondContact CA-OG1 3.46Å; S78-T81 PolarHBondContact O-OG1 2.04Å; T81-L83 VanDerWaalsContact C-N 3.27Å; T81-L83 PolarHBondContact O-N 2.83Å |
| 82 | T | 38 | Very low | 36.1 | Very low | 121 Ų | 121 | 101 Ų | 101 | 74% | 0.742 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -12.6 | 172.5 | 42.5 | 0 | 0 | 0 | 0 | 113.8 | K79 L80 | K79-T82 PolarHBondContact O-OG1 3.18Å; L80-T82 PolarHBondContact O-N 3.14Å |
| 83 | L | 36.1 | Very low | 36 | Very low | 150 Ų | 150 | 99.7 Ų | 99.7 | 79% | 0.785 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -13.6 | 179.1 | -91.6 | 154.5 | 0 | 0 | 0 | 113.9 | L80 T81 | L80-L83 PolarHBondContact O-N 2.64Å; T81-L83 VanDerWaalsContact C-N 3.27Å; T81-L83 PolarHBondContact O-N 2.83Å |
| 84 | L | 36.7 | Very low | 35.6 | Very low | 48 Ų | 48 | 101.5 Ų | 101.5 | 25% | 0.251 | 56% | 0.563 | S | S | . | * | trans | -130.8 | 70.3 | -169.7 | -70 | 162.9 | 0 | 0 | 0 | 111.4 | L45 L80 E86 L87 | L45-L84 HydrophobicContact CD1-CD1 3.98Å; L45-L84 HydrophobicContact CD1-CD2 3.99Å; L45-L84 HydrophobicContact CD1-CG 4.48Å; L80-L84 HydrophobicContact CD2-CD1 3.64Å; L80-L84 HydrophobicContact CG-CD1 4.06Å; L80-L84 PolarHBondContact O-N 2.96Å; L84-E86 PolarHBondContact O-N 2.79Å; L84-L87 HydrophobicContact CB-CD1 4.21Å; L84-L87 HydrophobicContact CD1-CD1 3.84Å; L84-L87 HydrophobicContact CD2-CD1 3.78Å; L84-L87 HydrophobicContact CD2-CG 4.26Å; L84-L87 HydrophobicContact CG-CD1 4.15Å | ||
| 85 | H | 35.5 | Very low | 35.5 | Very low | 186 Ų | 186 | 97 Ų | 97 | 86% | 0.861 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 10.3 | 170.5 | -127.6 | -70.6 | 0 | 0 | 0 | 113.6 | ||
| 86 | E | 32.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 95.2 Ų | 95.2 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | 14.4 | -168.1 | -100.1 | -168.3 | -177 | 0 | 0 | 116.3 | L84 S88 | L84-E86 PolarHBondContact O-N 2.79Å; E86-S88 PolarHBondContact O-N 2.76Å |
| 87 | L | 34.5 | Very low | 35.4 | Very low | 67 Ų | 67 | 98.4 Ų | 98.4 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | trans | -94.8 | 76.1 | 175.6 | -74.1 | 168.7 | 0 | 0 | 0 | 111.6 | I42 L84 A89 | I42-L87 HydrophobicContact CG2-CD1 4.19Å; L84-L87 HydrophobicContact CB-CD1 4.21Å; L84-L87 HydrophobicContact CD1-CD1 3.84Å; L84-L87 HydrophobicContact CD2-CD1 3.78Å; L84-L87 HydrophobicContact CD2-CG 4.26Å; L84-L87 HydrophobicContact CG-CD1 4.15Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.47Å | ||
| 88 | S | 35.7 | Very low | 35.6 | Very low | 128 Ų | 128 | 100.9 Ų | 100.9 | 90% | 0.895 | 55% | 0.553 | S | S | * | * | trans | -86 | 24.2 | 171 | 55.7 | 0 | 0 | 0 | 0 | 114 | E86 | E86-S88 PolarHBondContact O-N 2.76Š| ||
| 89 | A | 35.2 | Very low | 36.4 | Very low | 65 Ų | 65 | 107 Ų | 107 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -139.7 | 123.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | L87 T91 | L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.47Å; A89-T91 PolarHBondContact O-N 2.9Å |
| 90 | C | 33.8 | Very low | 38 | Very low | 140 Ų | 140 | 100 Ų | 100 | 95% | 0.946 | 54% | 0.541 | S | S | * | . | trans | -50.6 | 98 | 170.5 | -76.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 91 | T | 34.4 | Very low | 39.8 | Very low | 55 Ų | 55 | 100.6 Ų | 100.6 | 34% | 0.337 | 54% | 0.541 | S | S | . | . | trans | -76.5 | 127.2 | 176.1 | 14.1 | 0 | 0 | 0 | 0 | 108.2 | S43 A89 L93 | S43-T91 WeakPolarHBondContact OG-CG2 3.41Å; A89-T91 PolarHBondContact O-N 2.9Å; T91-L93 PolarHBondContact O-N 2.79Å; T91-L93 VanDerWaalsContact O-N 3.17Å | ||
| 92 | V | 34.1 | Very low | 41.7 | Very low | 116 Ų | 116 | 98.3 Ų | 98.3 | 70% | 0.703 | 53% | 0.53 | S | S | * | . | trans | -66.9 | 114 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | S94 | V92-S94 PolarHBondContact O-N 2.79Š| ||
| 93 | L | 34.1 | Very low | 44 | Very low | 36 Ų | 36 | 93.6 Ų | 93.6 | 19% | 0.188 | 50% | 0.5 | C | S | . | . | trans | -84 | 102.2 | 177.8 | -78.6 | 153.8 | 0 | 0 | 0 | 109.7 | V21 L40 T91 V95 | V21-L93 HydrophobicContact CG1-CB 4.2Å; V21-L93 HydrophobicContact CG2-CB 4.3Å; V21-L93 HydrophobicContact CG2-CD1 4.08Å; L40-L93 HydrophobicContact CB-CD2 4.48Å; L40-L93 HydrophobicContact CD2-CD2 3.17Å; L40-L93 HydrophobicContact CG-CD2 4.33Å; T91-L93 PolarHBondContact O-N 2.79Å; T91-L93 VanDerWaalsContact O-N 3.17Å; L93-V95 PolarHBondContact O-N 2.88Å | ||
| 94 | S | 31.8 | Very low | 46.4 | Very low | 60 Ų | 60 | 92.6 Ų | 92.6 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | trans | -82.4 | 112.3 | 171 | 55.3 | 0 | 0 | 0 | 0 | 110 | V92 H96 | V92-S94 PolarHBondContact O-N 2.79Å; S94-H96 PolarHBondContact O-N 3.48Å | ||
| 95 | V | 35 | Very low | 48.5 | Very low | 38 Ų | 38 | 92.1 Ų | 92.1 | 23% | 0.23 | 49% | 0.488 | C | S | . | . | trans | -88.9 | 102.5 | 173.4 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | V21 L24 V38 L93 | V21-V95 HydrophobicContact CG1-CG2 3.78Å; L24-V95 HydrophobicContact CD1-CG2 4.16Å; L24-V95 HydrophobicContact CD2-CB 4.08Å; L24-V95 HydrophobicContact CD2-CG1 3.94Å; L24-V95 HydrophobicContact CG-CB 4.33Å; L24-V95 HydrophobicContact CG-CG2 4.36Å; V38-V95 HydrophobicContact CG1-CG1 4.15Å; V38-V95 HydrophobicContact CG1-CG2 4.04Å; V38-V95 HydrophobicContact CG2-CG1 4.34Å; L93-V95 PolarHBondContact O-N 2.88Å | ||
| 96 | H | 32.1 | Very low | 50.2 | Low | 129 Ų | 129 | 94.9 Ų | 94.9 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | trans | -91.4 | 117.6 | 170.4 | -93 | -74.1 | 0 | 0 | 0 | 110.4 | S94 W98 | S94-H96 PolarHBondContact O-N 3.48Å; H96-W98 PolarHBondContact O-N 3.13Å | ||
| 97 | Q | 38.9 | Very low | 51.7 | Low | 123 Ų | 123 | 90.7 Ų | 90.7 | 58% | 0.575 | 48% | 0.477 | S | S | * | . | trans | -70 | 111.1 | 167.6 | -177.3 | 179.2 | 5.8 | 0 | 0 | 108.8 | ||||
| 98 | W | 43.7 | Very low | 53.4 | Low | 137 Ų | 137 | 93 Ų | 93 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | trans | -85 | 134.3 | 170 | -75.8 | 48.9 | 0 | 0 | 0 | 110.1 | K39 H96 E100 | K39-W98 HydrophobicContact CD-CZ2 4.16Å; H96-W98 PolarHBondContact O-N 3.13Å; W98-E100 HydrophobicContact CB-CB 4.05Å; W98-E100 HydrophobicContact CB-CG 3.69Å; W98-E100 HydrophobicContact CD2-CG 3.99Å; W98-E100 VanDerWaalsContact CD2-OE1 3.31Å; W98-E100 HydrophobicContact CE3-CG 3.44Å; W98-E100 VanDerWaalsContact CE3-CG 3.44Å; W98-E100 HydrophobicContact CG-CG 4.18Å; W98-E100 HydrophobicContact CZ3-CG 4.26Å; W98-E100 PolarHBondContact O-N 2.84Å | ||
| 99 | K | 50.3 | Low | 54.8 | Low | 201 Ų | 201 | 92 Ų | 92 | 87% | 0.874 | 47% | 0.466 | S | S | * | . | trans | -83.7 | 68.8 | 157.1 | -67.3 | -177.8 | -178.9 | 178.8 | 0 | 107.3 | Y101 | K99-Y101 VanDerWaalsContact C-N 3.33Å; K99-Y101 PolarHBondContact O-N 2.88Å | ||
| 100 | E | 67.2 | Low | 56.8 | Low | 20 Ų | 20 | 89.2 Ų | 89.2 | 9% | 0.093 | 44% | 0.442 | C | S | . | . | trans | -71.6 | -26.3 | -164.5 | -118.7 | 161.8 | -165.3 | 0 | 0 | 114.4 | W98 R123 P125 | W98-E100 HydrophobicContact CB-CB 4.05Å; W98-E100 HydrophobicContact CB-CG 3.69Å; W98-E100 HydrophobicContact CD2-CG 3.99Å; W98-E100 VanDerWaalsContact CD2-OE1 3.31Å; W98-E100 HydrophobicContact CE3-CG 3.44Å; W98-E100 VanDerWaalsContact CE3-CG 3.44Å; W98-E100 HydrophobicContact CG-CG 4.18Å; W98-E100 HydrophobicContact CZ3-CG 4.26Å; W98-E100 PolarHBondContact O-N 2.84Å; E100-R123 CarbonylContact O-C 3.52Å; E100-P125 HydrophobicContact CB-CG 4.19Å; E100-P125 VanDerWaalsContact CD-CB 3.49Å; E100-P125 HydrophobicContact CG-CB 3.87Å; E100-P125 HydrophobicContact CG-CG 4.06Å | ||
| 101 | Y | 75.6 | Confident | 58.7 | Low | 52 Ų | 52 | 84.7 Ų | 84.7 | 20% | 0.204 | 41% | 0.406 | C | S | . | . | trans | -104.3 | 111.2 | -178.3 | -61.4 | -78 | 0 | 0 | 0 | 110.1 | K99 R123 T124 P125 H134 M188 H200 | K99-Y101 VanDerWaalsContact C-N 3.33Å; K99-Y101 PolarHBondContact O-N 2.88Å; Y101-R123 WeakPolarHBondContact CA-O 3.43Å; Y101-T124 HydrophobicContact CD1-CG2 4.22Å; Y101-T124 HydrophobicContact CE1-CG2 4.29Å; Y101-P125 HydrophobicContact CE1-CG 3.95Å; Y101-P125 HydrophobicContact CE2-CG 4.21Å; Y101-P125 VanDerWaalsContact CZ-CD 3.47Å; Y101-P125 WeakPolarHBondContact OH-CG 3.47Å; Y101-H134 AromaticContact CE1-CE1 3.68Å; Y101-H134 AromaticContact CE1-ND1 3.99Å; Y101-H134 PolarHBondContact OH-CE1 3.39Å; Y101-M188 HydrophobicContact CD1-CG 4.43Å; Y101-M188 HydrophobicContact CD1-SD 3.48Å; Y101-M188 WeakPolarHBondContact CD1-SD 3.34Å; Y101-M188 HydrophobicContact CE1-SD 4.49Å; Y101-M188 HydrophobicContact CG-SD 4.07Å; Y101-H200 HydrophobicContact CD1-CB 3.96Å; Y101-H200 HydrophobicContact CD2-CB 3.55Å; Y101-H200 AromaticContact CD2-CG 3.58Å; Y101-H200 AromaticContact CD2-ND1 3.65Å; Y101-H200 HydrophobicContact CE1-CB 4.45Å; Y101-H200 AromaticContact CE1-CD2 3.86Å; Y101-H200 HydrophobicContact CE2-CB 4.13Å; Y101-H200 AromaticContact CE2-CE1 3.72Å; Y101-H200 AromaticContact CE2-CG 3.62Å; Y101-H200 AromaticContact CE2-ND1 3.39Å; Y101-H200 WeakPolarHBondContact CE2-ND1 3.39Å; Y101-H200 HydrophobicContact CG-CB 3.43Å; Y101-H200 VanDerWaalsContact CG-CB 3.43Å; Y101-H200 AromaticContact CG-CG 3.78Å; Y101-H200 AromaticContact CZ-CD2 3.83Å; Y101-H200 AromaticContact CZ-CE1 3.8Å; Y101-H200 AromaticContact CZ-CG 3.83Å; Y101-H200 AromaticContact CZ-ND1 3.84Å; Y101-H200 AromaticContact CZ-NE2 3.81Å | ||
| 102 | A | 81 | Confident | 60.4 | Low | 33 Ų | 33 | 86.6 Ų | 86.6 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T122 R123 | A102-T122 WeakPolarHBondContact O-CA 3.08Å; A102-R123 HydrophobicContact CB-CB 4.36Å; A102-R123 PolarHBondContact N-O 3.39Å; A102-R123 VanDerWaalsContact N-O 3.11Å; A102-R123 PolarHBondContact O-N 3.36Å |
| 103 | I | 86.6 | Confident | 62.5 | Low | 23 Ų | 23 | 82.5 Ų | 82.5 | 12% | 0.118 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119 | 170.8 | -57 | 171.3 | 0 | 0 | 0 | 106.6 | M105 V120 L136 F186 M188 A201 R203 | I103-M105 HydrophobicContact CG2-CE 4.34Å; I103-V120 HydrophobicContact CG2-CG1 3.62Å; I103-L136 HydrophobicContact CD1-CD1 3.91Å; I103-L136 HydrophobicContact CG1-CD1 4.25Å; I103-F186 HydrophobicContact CD1-CB 4.41Å; I103-F186 WeakPolarHBondContact CD1-O 3.33Å; I103-F186 HydrophobicContact CG2-CB 4.33Å; I103-M188 HydrophobicContact CD1-CB 3.99Å; I103-M188 HydrophobicContact CG1-CB 4.28Å; I103-M188 HydrophobicContact CG1-CE 4.03Å; I103-A201 HydrophobicContact CD1-CB 4.04Å; I103-A201 HydrophobicContact CG1-CB 4.18Å; I103-R203 HydrophobicContact CB-CB 4.17Å; I103-R203 HydrophobicContact CD1-CB 4.44Å; I103-R203 HydrophobicContact CG2-CB 4.15Å |
| 104 | Q | 86 | Confident | 64.3 | Low | 128 Ų | 128 | 88.3 Ų | 88.3 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.7 | 178.3 | -71.2 | -177.9 | -30.7 | 0 | 0 | 109.6 | S121 | Q104-S121 PolarHBondContact N-O 3.41Å; Q104-S121 PolarHBondContact O-N 2.88Å |
| 105 | M | 81.6 | Confident | 66.4 | Low | 38 Ų | 38 | 88.9 Ų | 88.9 | 19% | 0.187 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142 | 178.9 | -45.1 | -165.9 | -132.2 | 0 | 0 | 108 | I103 T107 V120 F186 R203 V205 | I103-M105 HydrophobicContact CG2-CE 4.34Å; M105-T107 VanDerWaalsContact C-N 3.27Å; M105-V120 HydrophobicContact CG-CG1 4.41Å; M105-F186 HydrophobicContact CE-CD2 3.61Å; M105-F186 HydrophobicContact CE-CE2 4.1Å; M105-F186 HydrophobicContact CE-CG 4.47Å; M105-F186 HydrophobicContact SD-CD2 3.64Å; M105-F186 HydrophobicContact SD-CE2 3.57Å; M105-F186 VanDerWaalsContact SD-CE2 3.57Å; M105-F186 HydrophobicContact SD-CZ 4.41Å; M105-R203 HydrophobicContact CE-CB 3.57Å; M105-R203 HydrophobicContact CE-CG 3.03Å; M105-V205 HydrophobicContact CE-CG2 3.31Å; M105-V205 HydrophobicContact SD-CG2 3.44Å; M105-V205 WeakPolarHBondContact SD-CG2 3.2Å |
| 106 | R | 69.4 | Low | 68.5 | Low | 244 Ų | 244 | 93.6 Ų | 93.6 | 92% | 0.921 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -73.5 | -25.6 | 179.2 | -151.1 | 175.9 | -177 | 141.5 | -0.3 | 111.8 | ||
| 107 | T | 65.8 | Low | 71 | Confident | 72 Ų | 72 | 88.3 Ų | 88.3 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | trans | -121.3 | 135.4 | -176.9 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | M105 R109 | M105-T107 VanDerWaalsContact C-N 3.27Å; T107-R109 VanDerWaalsContact CB-O 3.28Å; T107-R109 WeakPolarHBondContact CB-O 3.43Å; T107-R109 PolarHBondContact O-N 3.4Å; T107-R109 PolarHBondContact OG1-O 3.44Å | ||
| 108 | D | 68.8 | Low | 73.3 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -78.8 | 10.6 | 169.4 | -64.6 | -30.7 | 0 | 0 | 0 | 112.3 | V205 | D108-V205 VanDerWaalsContact C-CG1 3.49Å; D108-V205 WeakPolarHBondContact O-CG1 3.41Å |
| 109 | R | 66.5 | Low | 75.4 | Confident | 106 Ų | 106 | 79.6 Ų | 79.6 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | trans | -144 | 140.2 | -171.5 | -50.1 | -177.1 | -153.3 | -136.8 | 0.6 | 109.3 | T107 K210 | T107-R109 VanDerWaalsContact CB-O 3.28Å; T107-R109 WeakPolarHBondContact CB-O 3.43Å; T107-R109 PolarHBondContact O-N 3.4Å; T107-R109 PolarHBondContact OG1-O 3.44Å; R109-K210 PolarHBondContact NH1-O 3.22Å; R109-K210 VanDerWaalsContact NH1-O 3.09Å | ||
| 110 | L | 76.7 | Confident | 77.4 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | trans | -85 | -34.1 | 173.3 | -81.4 | 113.3 | 0 | 0 | 0 | 113.2 | I118 F177 Y184 V205 T207 | L110-I118 HydrophobicContact CB-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CD1 3.39Å; L110-I118 HydrophobicContact CG-CD1 3.63Å; L110-F177 HydrophobicContact CD2-CB 4.24Å; L110-F177 HydrophobicContact CD2-CD1 3.04Å; L110-F177 HydrophobicContact CD2-CD2 4.22Å; L110-F177 HydrophobicContact CD2-CE1 3.21Å; L110-F177 HydrophobicContact CD2-CE2 4.39Å; L110-F177 HydrophobicContact CD2-CG 3.57Å; L110-F177 HydrophobicContact CD2-CZ 3.92Å; L110-Y184 HydrophobicContact CD1-CD2 4.16Å; L110-Y184 HydrophobicContact CD1-CG 4.45Å; L110-Y184 HydrophobicContact CD2-CD2 4.01Å; L110-Y184 HydrophobicContact CD2-CG 4.1Å; L110-V205 HydrophobicContact CD1-CB 3.6Å; L110-V205 HydrophobicContact CD1-CG1 3.66Å; L110-V205 HydrophobicContact CG-CG1 4.43Å; L110-T207 HydrophobicContact CD1-CG2 4.3Å | ||
| 111 | F | 73.7 | Confident | 78.5 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 20% | 0.197 | 38% | 0.377 | C | S | . | . | trans | -111.6 | 143.1 | -176.5 | -70.3 | -80 | 0 | 0 | 0 | 111.6 | F177 L179 T207 | F111-F177 HydrophobicContact CE2-CB 4.31Å; F111-F177 HydrophobicContact CZ-CB 3.86Å; F111-L179 HydrophobicContact CB-CD2 4.36Å; F111-L179 HydrophobicContact CD1-CD2 4.23Å; F111-L179 HydrophobicContact CD1-CG 4.42Å; F111-L179 HydrophobicContact CD2-CD2 3.5Å; F111-L179 HydrophobicContact CD2-CG 4.21Å; F111-L179 HydrophobicContact CE1-CD2 4.43Å; F111-L179 HydrophobicContact CE1-CG 4.2Å; F111-L179 HydrophobicContact CE2-CD2 3.73Å; F111-L179 HydrophobicContact CE2-CG 3.97Å; F111-L179 HydrophobicContact CG-CD2 3.78Å; F111-L179 HydrophobicContact CG-CG 4.42Å; F111-L179 HydrophobicContact CZ-CD2 4.19Å; F111-L179 HydrophobicContact CZ-CG 3.96Å; F111-T207 HydrophobicContact CD2-CG2 4.06Å; F111-T207 HydrophobicContact CE2-CG2 3.77Å | ||
| 112 | P | 69.6 | Low | 79.2 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | S | Bend | cis | -73 | 134.8 | -1.7 | 30.3 | -32.9 | 0 | 0 | 0 | 111.9 | E114 | P112-E114 HydrophobicContact CB-CG 4.27Å; P112-E114 PolarHBondContact O-N 2.89Å |
| 113 | C | 78.4 | Confident | 79.3 | Confident | 29 Ų | 29 | 74 Ų | 74 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | trans | -84.2 | 95 | 174.5 | -169.9 | 0 | 0 | 0 | 0 | 107.4 | C174 | C113-C174 HydrophobicContact CB-CB 3.82Å; C113-C174 WeakPolarHBondContact CB-SG 3.21Å; C113-C174 PolarHBondContact O-SG 2.92Å; C113-C174 VanDerWaalsContact O-SG 3.39Å; C113-C174 WeakPolarHBondContact SG-CA 3.22Å; C113-C174 WeakPolarHBondContact SG-CB 3.44Å; C113-C174 CovalentContact SG-SG 2.04Å; C113-C174 PolarHBondContact SG-SG 3.19Å | ||
| 114 | E | 72.5 | Confident | 78.9 | Confident | 159 Ų | 159 | 73 Ų | 73 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | trans | -103.7 | 138.4 | -180 | -71.9 | 177.9 | -176.5 | 0 | 0 | 110.7 | P112 | P112-E114 HydrophobicContact CB-CG 4.27Å; P112-E114 PolarHBondContact O-N 2.89Å | ||
| 115 | G | 75 | Confident | 78.2 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 73% | 0.732 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 89.1 | -141 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G117 | G115-G117 VanDerWaalsContact C-N 3.28Å; G115-G117 PolarHBondContact O-N 2.8Å |
| 116 | I | 78.8 | Confident | 77.4 | Confident | 138 Ų | 138 | 71.8 Ų | 71.8 | 71% | 0.708 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -78.2 | -13 | -170.6 | -57.8 | 168.9 | 0 | 0 | 0 | 112.1 | ||
| 117 | G | 84.7 | Confident | 77 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | trans | 135.5 | -161.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G115 F172 | G115-G117 VanDerWaalsContact C-N 3.28Å; G115-G117 PolarHBondContact O-N 2.8Å; G117-F172 CarbonylContact C-O 3.58Å; G117-F172 WeakPolarHBondContact CA-O 3.17Å | ||
| 118 | I | 87.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.6 | -179.8 | -57.9 | -176.1 | 0 | 0 | 0 | 109.7 | L110 V120 N171 F172 F177 | L110-I118 HydrophobicContact CB-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CD1 3.39Å; L110-I118 HydrophobicContact CG-CD1 3.63Å; I118-V120 HydrophobicContact CG2-CG2 4.37Å; I118-N171 WeakPolarHBondContact O-CA 3.16Å; I118-F172 PolarHBondContact N-O 2.9Å; I118-F172 PolarHBondContact O-N 3.25Å; I118-F177 HydrophobicContact CB-CE2 3.96Å; I118-F177 HydrophobicContact CB-CZ 4.18Å; I118-F177 HydrophobicContact CD1-CD2 3.76Å; I118-F177 HydrophobicContact CD1-CE1 4.28Å; I118-F177 HydrophobicContact CD1-CE2 3.48Å; I118-F177 VanDerWaalsContact CD1-CE2 3.48Å; I118-F177 HydrophobicContact CD1-CG 4.29Å; I118-F177 HydrophobicContact CD1-CZ 3.75Å; I118-F177 HydrophobicContact CG1-CD2 4.19Å; I118-F177 HydrophobicContact CG1-CE2 3.68Å; I118-F177 HydrophobicContact CG1-CZ 4.21Å |
| 119 | S | 88.8 | Confident | 76.3 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.9 | 174.4 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | V170 N171 | S119-V170 WeakPolarHBondContact CA-O 3.42Å; S119-N171 VanDerWaalsContact CA-OD1 3.31Å; S119-N171 WeakPolarHBondContact CA-OD1 3.29Å; S119-N171 WeakPolarHBondContact CB-OD1 3.36Å; S119-N171 PolarHBondContact OG-OD1 2.83Å |
| 120 | V | 91.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.3 | 175.3 | -175 | 0 | 0 | 0 | 0 | 108.8 | I103 M105 I118 T122 L136 V169 V170 F172 F186 | I103-V120 HydrophobicContact CG2-CG1 3.62Å; M105-V120 HydrophobicContact CG-CG1 4.41Å; I118-V120 HydrophobicContact CG2-CG2 4.37Å; V120-T122 HydrophobicContact CG1-CG2 4.22Å; V120-L136 HydrophobicContact CB-CD2 4.01Å; V120-L136 HydrophobicContact CG1-CD2 3.73Å; V120-V169 WeakPolarHBondContact O-CA 3.45Å; V120-V170 HydrophobicContact CB-CG2 4.29Å; V120-V170 PolarHBondContact N-O 3.34Å; V120-V170 PolarHBondContact O-N 3.2Å; V120-F172 HydrophobicContact CG2-CD2 4.39Å; V120-F186 HydrophobicContact CG2-CD1 3.84Å; V120-F186 HydrophobicContact CG2-CE1 3.54Å; V120-F186 HydrophobicContact CG2-CG 4.46Å; V120-F186 HydrophobicContact CG2-CZ 3.96Å |
| 121 | S | 90.4 | Very high | 75.4 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 24% | 0.238 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.6 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 109 | Q104 | Q104-S121 PolarHBondContact N-O 3.41Å; Q104-S121 PolarHBondContact O-N 2.88Å |
| 122 | T | 90 | Very high | 75.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141 | 178.9 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | A102 V120 L136 L163 V167 S168 M188 | A102-T122 WeakPolarHBondContact O-CA 3.08Å; V120-T122 HydrophobicContact CG1-CG2 4.22Å; T122-L136 HydrophobicContact CG2-CD1 4.1Å; T122-L136 HydrophobicContact CG2-CD2 3.88Å; T122-L136 HydrophobicContact CG2-CG 4.49Å; T122-L163 HydrophobicContact CG2-CD1 4.13Å; T122-L163 HydrophobicContact CG2-CD2 4.14Å; T122-L163 WeakPolarHBondContact OG1-CD2 3.25Å; T122-V167 CarbonylContact O-C 3.58Å; T122-V167 WeakPolarHBondContact O-CA 3.06Å; T122-S168 PolarHBondContact N-O 3.19Å; T122-S168 PolarHBondContact O-N 2.83Å; T122-S168 WeakPolarHBondContact OG1-CB 3.42Å; T122-S168 PolarHBondContact OG1-O 3.44Å; T122-M188 HydrophobicContact CG2-CE 3.47Å; T122-M188 VanDerWaalsContact CG2-CE 3.47Å |
| 123 | R | 84.3 | Confident | 75.7 | Confident | 154 Ų | 154 | 65 Ų | 65 | 58% | 0.581 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122 | 169.4 | -173.1 | 177.4 | -85.7 | -176.6 | -7 | 107.7 | E100 Y101 A102 G166 V167 | E100-R123 CarbonylContact O-C 3.52Å; Y101-R123 WeakPolarHBondContact CA-O 3.43Å; A102-R123 HydrophobicContact CB-CB 4.36Å; A102-R123 PolarHBondContact N-O 3.39Å; A102-R123 VanDerWaalsContact N-O 3.11Å; A102-R123 PolarHBondContact O-N 3.36Å; R123-G166 WeakPolarHBondContact CA-O 3.13Å; R123-V167 HydrophobicContact CG-CG2 4.25Å |
| 124 | T | 78.4 | Confident | 76.1 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | trans | -115 | 158.8 | 170.8 | 59.3 | 0 | 0 | 0 | 0 | 108.6 | Y101 N126 H134 L163 Q164 P165 G166 M188 | Y101-T124 HydrophobicContact CD1-CG2 4.22Å; Y101-T124 HydrophobicContact CE1-CG2 4.29Å; T124-N126 PolarHBondContact O-N 3.26Å; T124-H134 HydrophobicContact CG2-CB 4.2Å; T124-L163 HydrophobicContact CG2-CD1 4.12Å; T124-Q164 PolarHBondContact OG1-O 3.04Å; T124-P165 WeakPolarHBondContact OG1-CA 3.49Å; T124-G166 PolarHBondContact N-O 2.92Å; T124-G166 VanDerWaalsContact O-CA 3.25Å; T124-G166 WeakPolarHBondContact O-CA 3.43Å; T124-G166 PolarHBondContact O-N 3.3Å; T124-G166 PolarHBondContact OG1-N 2.94Å; T124-G166 PolarHBondContact OG1-O 3.1Å; T124-G166 VanDerWaalsContact OG1-O 3.13Å; T124-M188 HydrophobicContact CG2-CE 4.16Å; T124-M188 HydrophobicContact CG2-SD 4.02Å | ||
| 125 | P | 71.3 | Confident | 77 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | trans | -59.2 | 133.6 | 170.7 | 6.7 | -10 | 0 | 0 | 0 | 111.2 | E100 Y101 C127 | E100-P125 HydrophobicContact CB-CG 4.19Å; E100-P125 VanDerWaalsContact CD-CB 3.49Å; E100-P125 HydrophobicContact CG-CB 3.87Å; E100-P125 HydrophobicContact CG-CG 4.06Å; Y101-P125 HydrophobicContact CE1-CG 3.95Å; Y101-P125 HydrophobicContact CE2-CG 4.21Å; Y101-P125 VanDerWaalsContact CZ-CD 3.47Å; Y101-P125 WeakPolarHBondContact OH-CG 3.47Å; P125-C127 PolarHBondContact O-N 2.79Å | ||
| 126 | N | 64.7 | Low | 77.8 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.3 | 173.6 | -71.5 | 18.5 | 0 | 0 | 0 | 112.8 | T124 G166 | T124-N126 PolarHBondContact O-N 3.26Å; N126-G166 WeakPolarHBondContact OD1-CA 3.41Å |
| 127 | C | 60.1 | Low | 78.5 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 16.5 | -173.4 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | L50 P125 S129 | L50-C127 HydrophobicContact CD1-CB 3.26Å; L50-C127 WeakPolarHBondContact CD1-SG 3.18Å; P125-C127 PolarHBondContact O-N 2.79Å; C127-S129 PolarHBondContact O-N 3.41Å |
| 128 | S | 61.4 | Low | 79 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 27% | 0.27 | C | S | . | . | trans | -66.7 | 128.1 | 175.5 | -156.9 | 0 | 0 | 0 | 0 | 110 | V132 H134 | S128-V132 WeakPolarHBondContact OG-CB 3.4Å; S128-H134 WeakPolarHBondContact CB-NE2 3.44Å; S128-H134 PolarHBondContact OG-NE2 3.26Å | ||
| 129 | S | 59.2 | Low | 79.2 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | trans | -59.7 | 146 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | C127 V131 V132 | C127-S129 PolarHBondContact O-N 3.41Å; S129-V131 PolarHBondContact O-N 3.43Å; S129-V132 WeakPolarHBondContact O-CB 3.47Å; S129-V132 PolarHBondContact O-N 3.43Å | ||
| 130 | D | 58.3 | Low | 79.2 | Confident | 162 Ų | 162 | 46.5 Ų | 46.5 | 87% | 0.866 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -19.2 | 178.8 | -69.8 | -29.8 | 0 | 0 | 0 | 114.2 | V132 | D130-V132 VanDerWaalsContact C-N 3.31Š|
| 131 | V | 66.2 | Low | 79 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.3 | 176.8 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | S129 | S129-V131 PolarHBondContact O-N 3.43Š|
| 132 | V | 68.8 | Low | 78.1 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | trans | -97.4 | 106.1 | -173.3 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | S128 S129 D130 L192 | S128-V132 WeakPolarHBondContact OG-CB 3.4Å; S129-V132 WeakPolarHBondContact O-CB 3.47Å; S129-V132 PolarHBondContact O-N 3.43Å; D130-V132 VanDerWaalsContact C-N 3.31Å; V132-L192 HydrophobicContact CG2-CG 4.34Å | ||
| 133 | L | 80.6 | Confident | 77 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.6 | 177.6 | -67.9 | 169.6 | 0 | 0 | 0 | 110.2 | S190 V191 | L133-S190 CarbonylContact O-C 3.53Å; L133-S190 WeakPolarHBondContact O-CA 3.19Å; L133-V191 HydrophobicContact CB-CB 4.48Å; L133-V191 PolarHBondContact N-O 2.62Å; L133-V191 PolarHBondContact O-N 2.96Å |
| 134 | H | 86.4 | Confident | 75.7 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.1 | 172.4 | -66.9 | -60.1 | 0 | 0 | 0 | 111.2 | Y101 T124 S128 L163 | Y101-H134 AromaticContact CE1-CE1 3.68Å; Y101-H134 AromaticContact CE1-ND1 3.99Å; Y101-H134 PolarHBondContact OH-CE1 3.39Å; T124-H134 HydrophobicContact CG2-CB 4.2Å; S128-H134 WeakPolarHBondContact CB-NE2 3.44Å; S128-H134 PolarHBondContact OG-NE2 3.26Å; H134-L163 HydrophobicContact CB-CB 3.87Å; H134-L163 HydrophobicContact CB-CD1 4.36Å; H134-L163 PolarHBondContact O-N 3.22Å |
| 135 | Q | 90.6 | Very high | 74.2 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.6 | 179.7 | -62.9 | 178.1 | -17.9 | 0 | 0 | 110.7 | Q161 M188 V189 | Q135-Q161 CarbonylContact C-O 3.55Å; Q135-Q161 WeakPolarHBondContact CA-O 2.9Å; Q135-M188 WeakPolarHBondContact O-CA 3.31Å; Q135-V189 HydrophobicContact CB-CG2 3.98Å; Q135-V189 PolarHBondContact N-O 3.26Å; Q135-V189 PolarHBondContact O-N 3.1Å |
| 136 | L | 93.4 | Very high | 72.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110.4 | 169.9 | -168.7 | 70.2 | 0 | 0 | 0 | 108.9 | I103 V120 T122 E160 Q161 L163 V170 F172 F186 M188 | I103-L136 HydrophobicContact CD1-CD1 3.91Å; I103-L136 HydrophobicContact CG1-CD1 4.25Å; V120-L136 HydrophobicContact CB-CD2 4.01Å; V120-L136 HydrophobicContact CG1-CD2 3.73Å; T122-L136 HydrophobicContact CG2-CD1 4.1Å; T122-L136 HydrophobicContact CG2-CD2 3.88Å; T122-L136 HydrophobicContact CG2-CG 4.49Å; L136-E160 CarbonylContact O-C 3.58Å; L136-E160 VanDerWaalsContact O-CA 3.26Å; L136-E160 WeakPolarHBondContact O-CA 3.35Å; L136-Q161 PolarHBondContact N-O 2.97Å; L136-Q161 PolarHBondContact O-N 3.16Å; L136-L163 HydrophobicContact CB-CD1 4.15Å; L136-L163 HydrophobicContact CB-CD2 4.05Å; L136-L163 HydrophobicContact CB-CG 4.23Å; L136-V170 HydrophobicContact CD2-CG2 3.62Å; L136-F172 HydrophobicContact CD2-CE2 3.89Å; L136-F172 HydrophobicContact CD2-CZ 4.39Å; L136-F186 HydrophobicContact CD1-CB 4.2Å; L136-F186 HydrophobicContact CD2-CD1 4.22Å; L136-F186 HydrophobicContact CG-CB 4.49Å; L136-M188 HydrophobicContact CD1-CB 4.12Å |
| 137 | R | 93.2 | Very high | 71.6 | Confident | 62 Ų | 62 | 64 Ų | 64 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.2 | 178.2 | -62.2 | -177.5 | 174.1 | 170.1 | 5.4 | 110.5 | Y157 E160 F186 R187 V189 | R137-Y157 HydrophobicContact CB-CD2 4.47Å; R137-Y157 HydrophobicContact CB-CE2 4.05Å; R137-Y157 HydrophobicContact CG-CE2 3.9Å; R137-E160 HydrophobicContact CG-CB 4.34Å; R137-F186 CarbonylContact O-C 3.51Å; R137-F186 WeakPolarHBondContact O-CA 3.28Å; R137-R187 HydrophobicContact CB-CB 4.5Å; R137-R187 PolarHBondContact N-O 3.29Å; R137-R187 PolarHBondContact O-N 2.73Å; R137-V189 HydrophobicContact CG-CG2 4.21Å |
| 138 | L | 93.8 | Very high | 70.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.3 | 175.4 | -179.1 | 61.5 | 0 | 0 | 0 | 109.6 | V158 G159 F172 F177 Y184 F186 | L138-V158 HydrophobicContact CD2-CB 4.35Å; L138-V158 HydrophobicContact CG-CB 4.28Å; L138-V158 PolarHBondContact O-N 3.41Å; L138-G159 PolarHBondContact N-O 3.02Å; L138-F172 HydrophobicContact CB-CD1 4.43Å; L138-F172 HydrophobicContact CB-CE1 3.96Å; L138-F172 HydrophobicContact CB-CZ 4.26Å; L138-F172 HydrophobicContact CD2-CD1 3.92Å; L138-F172 HydrophobicContact CD2-CE1 4.3Å; L138-F172 HydrophobicContact CD2-CG 4.31Å; L138-F177 HydrophobicContact CD1-CE1 3.98Å; L138-F177 HydrophobicContact CD2-CD1 4.32Å; L138-F177 HydrophobicContact CD2-CE1 3.52Å; L138-F177 HydrophobicContact CD2-CZ 3.91Å; L138-F177 HydrophobicContact CG-CE1 4.36Å; L138-Y184 HydrophobicContact CD1-CD1 3.87Å; L138-Y184 HydrophobicContact CD1-CG 4.49Å; L138-Y184 HydrophobicContact CD2-CD1 4.41Å; L138-Y184 HydrophobicContact CG-CD1 4.15Å; L138-F186 HydrophobicContact CD1-CD1 3.83Å; L138-F186 HydrophobicContact CD1-CE1 3.56Å; L138-F186 HydrophobicContact CD1-CE2 4.37Å; L138-F186 HydrophobicContact CD1-CG 4.35Å; L138-F186 HydrophobicContact CD1-CZ 3.86Å |
| 139 | L | 92 | Very high | 70.1 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.9 | 178.9 | -60.4 | 124.4 | 0 | 0 | 0 | 110.4 | I156 Y184 C185 R187 | L139-I156 CarbonylContact C-O 3.56Å; L139-I156 WeakPolarHBondContact CA-O 3.47Å; L139-Y184 CarbonylContact O-C 3.6Å; L139-Y184 VanDerWaalsContact O-CA 3.31Å; L139-Y184 WeakPolarHBondContact O-CA 3.48Å; L139-C185 HydrophobicContact CB-CB 4.43Å; L139-C185 PolarHBondContact N-O 3.49Å; L139-C185 PolarHBondContact O-N 3.5Å; L139-R187 HydrophobicContact CD1-CB 3.76Å |
| 140 | A | 89.9 | Confident | 69.2 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G155 I156 V158 Y181 Y184 | A140-G155 CarbonylContact O-C 3.5Å; A140-G155 VanDerWaalsContact O-CA 3.28Å; A140-G155 WeakPolarHBondContact O-CA 3.49Å; A140-I156 PolarHBondContact N-O 3Å; A140-I156 PolarHBondContact O-N 2.83Å; A140-V158 HydrophobicContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact N-CG2 3.26Å; A140-Y181 HydrophobicContact CB-CD1 3.78Å; A140-Y181 HydrophobicContact CB-CD2 3.82Å; A140-Y181 HydrophobicContact CB-CE1 4.09Å; A140-Y181 HydrophobicContact CB-CE2 4.1Å; A140-Y181 HydrophobicContact CB-CG 3.63Å; A140-Y184 HydrophobicContact CB-CD1 4.07Å; A140-Y184 HydrophobicContact CB-CE1 3.67Å |
| 141 | I | 85.4 | Confident | 68.7 | Low | 13 Ų | 13 | 72.7 Ų | 72.7 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119.7 | -179.2 | -55.2 | -53.1 | 0 | 0 | 0 | 109.3 | R153 P182 E183 | I141-R153 HydrophobicContact CD1-CB 4.42Å; I141-R153 HydrophobicContact CG2-CB 4.21Å; I141-R153 HydrophobicContact CG2-CG 4.43Å; I141-P182 VanDerWaalsContact O-CD 3.3Å; I141-P182 WeakPolarHBondContact O-CD 3.38Å; I141-E183 HydrophobicContact CB-CB 4.24Å; I141-E183 HydrophobicContact CG1-CB 4.2Å; I141-E183 PolarHBondContact N-O 3.48Å |
| 142 | Q | 73.2 | Confident | 68.1 | Low | 109 Ų | 109 | 76.6 Ų | 76.6 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | trans | -110.3 | 71.4 | -179.6 | -166.2 | -178.6 | 28.6 | 0 | 0 | 108.4 | R154 I156 Y181 | Q142-R154 PolarHBondContact N-O 2.8Å; Q142-I156 HydrophobicContact CB-CD1 4Å; Q142-I156 HydrophobicContact CB-CG1 4.15Å; Q142-I156 HydrophobicContact CG-CD1 4.3Å; Q142-Y181 HydrophobicContact CB-CD1 4.24Å; Q142-Y181 HydrophobicContact CB-CE1 4.07Å; Q142-Y181 HydrophobicContact CG-CE1 4.11Å | ||
| 143 | D | 66.3 | Low | 67.7 | Low | 107 Ų | 107 | 82.5 Ų | 82.5 | 57% | 0.572 | 40% | 0.401 | S | S | * | . | trans | 174.3 | 133.9 | 152.8 | -98.8 | -37.4 | 0 | 0 | 0 | 112.2 | ||||
| 144 | R | 56 | Low | 66.9 | Low | 105 Ų | 105 | 85.6 Ų | 85.6 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | trans | -103.8 | -7.6 | 158.7 | -78.8 | -170.3 | 173.9 | 174.7 | -2.4 | 112.5 | Y146 P182 E208 | R144-Y146 PolarHBondContact O-N 3.24Å; R144-P182 HydrophobicContact CG-CB 4.3Å; R144-P182 HydrophobicContact CG-CG 4.15Å; R144-E208 IonicContact CZ-OE1 3.79Å; R144-E208 IonicContact CZ-OE2 3.08Å; R144-E208 VanDerWaalsContact NH1-CD 3.26Å; R144-E208 IonicContact NH1-OE1 3.98Å; R144-E208 PolarHBondContact NH1-OE1 3Å; R144-E208 IonicContact NH1-OE2 3.28Å; R144-E208 PolarHBondContact NH1-OE2 2.84Å; R144-E208 VanDerWaalsContact NH1-OE2 3.16Å; R144-E208 IonicContact NH2-OE1 2.74Å; R144-E208 PolarHBondContact NH2-OE1 2.99Å; R144-E208 IonicContact NH2-OE2 2.75Å; R144-E208 PolarHBondContact NH2-OE2 2.95Å | ||
| 145 | L | 46.6 | Very low | 66.3 | Low | 132 Ų | 132 | 86.7 Ų | 86.7 | 69% | 0.691 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -85.6 | 97.5 | -179.2 | -79.1 | 153.2 | 0 | 0 | 0 | 108.6 | S147 | L145-S147 PolarHBondContact O-N 3.27Š|
| 146 | Y | 43.3 | Very low | 66.2 | Low | 177 Ų | 177 | 88.8 Ų | 88.8 | 69% | 0.694 | 43% | 0.431 | S | S | * | . | trans | -52.8 | 102.3 | 173.2 | -159.3 | -90.3 | 0 | 0 | 0 | 109.7 | R144 | R144-Y146 PolarHBondContact O-N 3.24Š| ||
| 147 | S | 38.3 | Very low | 66 | Low | 57 Ų | 57 | 94 Ų | 94 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | trans | -77.3 | 122.9 | 158.2 | 176 | 0 | 0 | 0 | 0 | 107.2 | L145 I149 E150 | L145-S147 PolarHBondContact O-N 3.27Å; S147-I149 PolarHBondContact O-N 2.79Å; S147-I149 PolarHBondContact OG-N 2.87Å; S147-E150 PolarHBondContact O-N 2.82Å | ||
| 148 | P | 41.6 | Very low | 65.9 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 71% | 0.708 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.3 | 176.3 | -16.9 | 28.2 | 0 | 0 | 0 | 113.4 | ||
| 149 | I | 48.2 | Very low | 65.8 | Low | 153 Ų | 153 | 93.5 Ų | 93.5 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -23.8 | -167.6 | -57 | 173 | 0 | 0 | 0 | 111.5 | S147 | S147-I149 PolarHBondContact O-N 2.79Å; S147-I149 PolarHBondContact OG-N 2.87Å |
| 150 | E | 42 | Very low | 65.9 | Low | 102 Ų | 102 | 96.1 Ų | 96.1 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | trans | -126.6 | 96.4 | 179.1 | -82.1 | -175.2 | 165.3 | 0 | 0 | 111.2 | S147 K152 R154 | S147-E150 PolarHBondContact O-N 2.82Å; E150-K152 PolarHBondContact O-N 2.76Å; E150-K152 VanDerWaalsContact O-N 3.1Å; E150-R154 VanDerWaalsContact CD-NH2 3.26Å; E150-R154 IonicContact OE1-NH2 3.03Å; E150-R154 PolarHBondContact OE1-NH2 2.9Å; E150-R154 IonicContact OE2-CZ 3.18Å; E150-R154 IonicContact OE2-NE 3.02Å; E150-R154 PolarHBondContact OE2-NE 2.8Å; E150-R154 IonicContact OE2-NH2 2.7Å; E150-R154 PolarHBondContact OE2-NH2 2.84Å | ||
| 151 | T | 47.6 | Very low | 66 | Low | 136 Ų | 136 | 100.3 Ų | 100.3 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | trans | -72 | 5.3 | 176.7 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 152 | K | 53.6 | Low | 66.3 | Low | 177 Ų | 177 | 108.4 Ų | 108.4 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -103.8 | 107.5 | -174.5 | -141.2 | 175.8 | -173.3 | 179.2 | 0 | 109.5 | E150 R154 | E150-K152 PolarHBondContact O-N 2.76Å; E150-K152 VanDerWaalsContact O-N 3.1Å; K152-R154 PolarHBondContact O-N 2.89Å |
| 153 | R | 58.8 | Low | 67 | Low | 157 Ų | 157 | 103.9 Ų | 103.9 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | trans | -49.2 | 109.8 | 172.5 | -70.9 | -176.3 | -175.2 | -178 | 0.1 | 109.1 | I141 G155 E183 | I141-R153 HydrophobicContact CD1-CB 4.42Å; I141-R153 HydrophobicContact CG2-CB 4.21Å; I141-R153 HydrophobicContact CG2-CG 4.43Å; R153-G155 PolarHBondContact O-N 2.92Å; R153-G155 VanDerWaalsContact O-N 3.12Å; R153-E183 IonicContact CZ-OE2 3.16Å; R153-E183 IonicContact NH1-OE1 2.71Å; R153-E183 PolarHBondContact NH1-OE1 3.41Å; R153-E183 IonicContact NH1-OE2 3.38Å; R153-E183 PolarHBondContact NH1-OE2 3.17Å | ||
| 154 | R | 63.8 | Low | 67.7 | Low | 160 Ų | 160 | 105.9 Ų | 105.9 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | trans | -72.2 | 104.5 | 172.8 | -71.7 | -176.6 | -175.3 | -163.8 | -2.1 | 107.3 | Q142 E150 K152 | Q142-R154 PolarHBondContact N-O 2.8Å; E150-R154 VanDerWaalsContact CD-NH2 3.26Å; E150-R154 IonicContact OE1-NH2 3.03Å; E150-R154 PolarHBondContact OE1-NH2 2.9Å; E150-R154 IonicContact OE2-CZ 3.18Å; E150-R154 IonicContact OE2-NE 3.02Å; E150-R154 PolarHBondContact OE2-NE 2.8Å; E150-R154 IonicContact OE2-NH2 2.7Å; E150-R154 PolarHBondContact OE2-NH2 2.84Å; K152-R154 PolarHBondContact O-N 2.89Å | ||
| 155 | G | 75.6 | Confident | 68.6 | Low | 30 Ų | 30 | 104.6 Ų | 104.6 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A140 R153 | A140-G155 CarbonylContact O-C 3.5Å; A140-G155 VanDerWaalsContact O-CA 3.28Å; A140-G155 WeakPolarHBondContact O-CA 3.49Å; R153-G155 PolarHBondContact O-N 2.92Å; R153-G155 VanDerWaalsContact O-N 3.12Å |
| 156 | I | 87.7 | Confident | 70.1 | Confident | 61 Ų | 61 | 98.4 Ų | 98.4 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.1 | 170.1 | -49.4 | 175.3 | 0 | 0 | 0 | 107.8 | L139 A140 Q142 V158 Y181 | L139-I156 CarbonylContact C-O 3.56Å; L139-I156 WeakPolarHBondContact CA-O 3.47Å; A140-I156 PolarHBondContact N-O 3Å; A140-I156 PolarHBondContact O-N 2.83Å; Q142-I156 HydrophobicContact CB-CD1 4Å; Q142-I156 HydrophobicContact CB-CG1 4.15Å; Q142-I156 HydrophobicContact CG-CD1 4.3Å; I156-V158 WeakPolarHBondContact O-CG2 3.39Å; I156-V158 PolarHBondContact O-N 3.26Å; I156-Y181 HydrophobicContact CD1-CE1 3.68Å |
| 157 | Y | 89.7 | Confident | 72 | Confident | 109 Ų | 109 | 94.4 Ų | 94.4 | 43% | 0.427 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.6 | 171.8 | 179 | -82.3 | 0 | 0 | 0 | 109.7 | R137 E160 | R137-Y157 HydrophobicContact CB-CD2 4.47Å; R137-Y157 HydrophobicContact CB-CE2 4.05Å; R137-Y157 HydrophobicContact CG-CE2 3.9Å; Y157-E160 HydrophobicContact CE2-CB 4.42Å; Y157-E160 WeakPolarHBondContact OH-CB 3.33Å; Y157-E160 WeakPolarHBondContact OH-CG 3.44Å; Y157-E160 PolarHBondContact OH-OE2 3.11Å |
| 158 | V | 91.6 | Very high | 74.3 | Confident | 44 Ų | 44 | 92.3 Ų | 92.3 | 27% | 0.267 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -30.6 | -173.6 | -157 | 0 | 0 | 0 | 0 | 111.8 | L138 A140 I156 Y176 Y184 | L138-V158 HydrophobicContact CD2-CB 4.35Å; L138-V158 HydrophobicContact CG-CB 4.28Å; L138-V158 PolarHBondContact O-N 3.41Å; A140-V158 HydrophobicContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact N-CG2 3.26Å; I156-V158 WeakPolarHBondContact O-CG2 3.39Å; I156-V158 PolarHBondContact O-N 3.26Å; V158-Y176 HydrophobicContact CG1-CD1 4.11Å; V158-Y176 WeakPolarHBondContact O-CD1 3.46Å; V158-Y176 WeakPolarHBondContact O-CE1 3.33Å; V158-Y184 HydrophobicContact CG2-CE1 4.18Å |
| 159 | G | 91.7 | Very high | 76.7 | Confident | 8 Ų | 8 | 91.6 Ų | 91.6 | 8% | 0.082 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L138 | L138-G159 PolarHBondContact N-O 3.02Å |
| 160 | E | 92.8 | Very high | 78.7 | Confident | 72 Ų | 72 | 85 Ų | 85 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158.4 | 173.6 | 63.7 | -172.3 | -159.9 | 0 | 0 | 111.7 | L136 R137 Y157 | L136-E160 CarbonylContact O-C 3.58Å; L136-E160 VanDerWaalsContact O-CA 3.26Å; L136-E160 WeakPolarHBondContact O-CA 3.35Å; R137-E160 HydrophobicContact CG-CB 4.34Å; Y157-E160 HydrophobicContact CE2-CB 4.42Å; Y157-E160 WeakPolarHBondContact OH-CB 3.33Å; Y157-E160 WeakPolarHBondContact OH-CG 3.44Å; Y157-E160 PolarHBondContact OH-OE2 3.11Å |
| 161 | Q | 93 | Very high | 81 | Confident | 89 Ų | 89 | 84 Ų | 84 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.8 | 161.2 | -84.1 | -60 | 14.5 | 0 | 0 | 113.6 | Q135 L136 V170 F172 | Q135-Q161 CarbonylContact C-O 3.55Å; Q135-Q161 WeakPolarHBondContact CA-O 2.9Å; L136-Q161 PolarHBondContact N-O 2.97Å; L136-Q161 PolarHBondContact O-N 3.16Å; Q161-V170 HydrophobicContact CB-CB 4.04Å; Q161-V170 HydrophobicContact CB-CG1 3.98Å; Q161-V170 HydrophobicContact CB-CG2 4.41Å; Q161-V170 HydrophobicContact CG-CB 4.38Å; Q161-F172 HydrophobicContact CB-CZ 4.24Å; Q161-F172 HydrophobicContact CG-CE1 4.31Å; Q161-F172 HydrophobicContact CG-CZ 4.33Å |
| 162 | R | 90.4 | Very high | 83.1 | Confident | 182 Ų | 182 | 77.8 Ų | 77.8 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 141.6 | 172.4 | -65.2 | -178.5 | -176.9 | 162.8 | 0 | 109.7 | ||
| 163 | L | 88.6 | Confident | 84.9 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.8 | 179.3 | -56.9 | 178.9 | 0 | 0 | 0 | 109.6 | T122 T124 H134 L136 V170 M188 | T122-L163 HydrophobicContact CG2-CD1 4.13Å; T122-L163 HydrophobicContact CG2-CD2 4.14Å; T122-L163 WeakPolarHBondContact OG1-CD2 3.25Å; T124-L163 HydrophobicContact CG2-CD1 4.12Å; H134-L163 HydrophobicContact CB-CB 3.87Å; H134-L163 HydrophobicContact CB-CD1 4.36Å; H134-L163 PolarHBondContact O-N 3.22Å; L136-L163 HydrophobicContact CB-CD1 4.15Å; L136-L163 HydrophobicContact CB-CD2 4.05Å; L136-L163 HydrophobicContact CB-CG 4.23Å; L163-V170 HydrophobicContact CD2-CG1 3.6Å; L163-V170 HydrophobicContact CD2-CG2 4.05Å; L163-M188 HydrophobicContact CD1-CE 3.79Å; L163-M188 HydrophobicContact CD1-CG 4.21Å |
| 164 | Q | 81.8 | Confident | 86.3 | Confident | 150 Ų | 150 | 67.4 Ų | 67.4 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | trans | -82.3 | 153.6 | 165.4 | -63.2 | -162 | -5.8 | 0 | 0 | 110.4 | T124 S168 | T124-Q164 PolarHBondContact OG1-O 3.04Å; Q164-S168 WeakPolarHBondContact CA-OG 3.36Å; Q164-S168 WeakPolarHBondContact CB-OG 3.42Å; Q164-S168 PolarHBondContact N-OG 3.29Å; Q164-S168 PolarHBondContact O-OG 2.62Å | ||
| 165 | P | 74.7 | Confident | 87.5 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -56.1 | 139.9 | 172.8 | -22 | 32.5 | 0 | 0 | 0 | 111.6 | T124 | T124-P165 WeakPolarHBondContact OG1-CA 3.49Š|
| 166 | G | 78.1 | Confident | 88.2 | Confident | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 89.2 | -137.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R123 T124 N126 S168 | R123-G166 WeakPolarHBondContact CA-O 3.13Å; T124-G166 PolarHBondContact N-O 2.92Å; T124-G166 VanDerWaalsContact O-CA 3.25Å; T124-G166 WeakPolarHBondContact O-CA 3.43Å; T124-G166 PolarHBondContact O-N 3.3Å; T124-G166 PolarHBondContact OG1-N 2.94Å; T124-G166 PolarHBondContact OG1-O 3.1Å; T124-G166 VanDerWaalsContact OG1-O 3.13Å; N126-G166 WeakPolarHBondContact OD1-CA 3.41Å; G166-S168 PolarHBondContact O-N 2.77Å |
| 167 | V | 83.1 | Confident | 88.2 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 109.9 | -178.4 | -179 | 0 | 0 | 0 | 0 | 109 | T122 R123 | T122-V167 CarbonylContact O-C 3.58Å; T122-V167 WeakPolarHBondContact O-CA 3.06Å; R123-V167 HydrophobicContact CG-CG2 4.25Å |
| 168 | S | 86.9 | Confident | 88 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.2 | 177.2 | -78.2 | 0 | 0 | 0 | 0 | 110.5 | T122 Q164 G166 | T122-S168 PolarHBondContact N-O 3.19Å; T122-S168 PolarHBondContact O-N 2.83Å; T122-S168 WeakPolarHBondContact OG1-CB 3.42Å; T122-S168 PolarHBondContact OG1-O 3.44Å; Q164-S168 WeakPolarHBondContact CA-OG 3.36Å; Q164-S168 WeakPolarHBondContact CB-OG 3.42Å; Q164-S168 PolarHBondContact N-OG 3.29Å; Q164-S168 PolarHBondContact O-OG 2.62Å; G166-S168 PolarHBondContact O-N 2.77Å |
| 169 | V | 90.3 | Very high | 87.5 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.4 | 170.4 | -177 | 0 | 0 | 0 | 0 | 108.1 | V120 | V120-V169 WeakPolarHBondContact O-CA 3.45Å |
| 170 | V | 91.3 | Very high | 87 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.6 | 178.6 | -68.9 | 0 | 0 | 0 | 0 | 110.6 | S119 V120 L136 Q161 L163 F172 | S119-V170 WeakPolarHBondContact CA-O 3.42Å; V120-V170 HydrophobicContact CB-CG2 4.29Å; V120-V170 PolarHBondContact N-O 3.34Å; V120-V170 PolarHBondContact O-N 3.2Å; L136-V170 HydrophobicContact CD2-CG2 3.62Å; Q161-V170 HydrophobicContact CB-CB 4.04Å; Q161-V170 HydrophobicContact CB-CG1 3.98Å; Q161-V170 HydrophobicContact CB-CG2 4.41Å; Q161-V170 HydrophobicContact CG-CB 4.38Å; L163-V170 HydrophobicContact CD2-CG1 3.6Å; L163-V170 HydrophobicContact CD2-CG2 4.05Å; V170-F172 HydrophobicContact CG2-CE2 4.22Å |
| 171 | N | 90.7 | Very high | 86.5 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129 | -177.8 | -65.7 | -25.3 | 0 | 0 | 0 | 110.1 | I118 S119 | I118-N171 WeakPolarHBondContact O-CA 3.16Å; S119-N171 VanDerWaalsContact CA-OD1 3.31Å; S119-N171 WeakPolarHBondContact CA-OD1 3.29Å; S119-N171 WeakPolarHBondContact CB-OD1 3.36Å; S119-N171 PolarHBondContact OG-OD1 2.83Å |
| 172 | F | 91.2 | Very high | 85.9 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.9 | 170 | -70.7 | -85.8 | 0 | 0 | 0 | 109.5 | G117 I118 V120 L136 L138 Q161 V170 F177 F186 | G117-F172 CarbonylContact C-O 3.58Å; G117-F172 WeakPolarHBondContact CA-O 3.17Å; I118-F172 PolarHBondContact N-O 2.9Å; I118-F172 PolarHBondContact O-N 3.25Å; V120-F172 HydrophobicContact CG2-CD2 4.39Å; L136-F172 HydrophobicContact CD2-CE2 3.89Å; L136-F172 HydrophobicContact CD2-CZ 4.39Å; L138-F172 HydrophobicContact CB-CD1 4.43Å; L138-F172 HydrophobicContact CB-CE1 3.96Å; L138-F172 HydrophobicContact CB-CZ 4.26Å; L138-F172 HydrophobicContact CD2-CD1 3.92Å; L138-F172 HydrophobicContact CD2-CE1 4.3Å; L138-F172 HydrophobicContact CD2-CG 4.31Å; Q161-F172 HydrophobicContact CB-CZ 4.24Å; Q161-F172 HydrophobicContact CG-CE1 4.31Å; Q161-F172 HydrophobicContact CG-CZ 4.33Å; V170-F172 HydrophobicContact CG2-CE2 4.22Å; F172-F177 HydrophobicContact CB-CE2 3.82Å; F172-F177 HydrophobicContact CB-CZ 3.63Å; F172-F177 HydrophobicContact CG-CZ 4.38Å; F172-F186 HydrophobicContact CD2-CD1 4.39Å; F172-F186 AromaticContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CE2-CD1 4.01Å; F172-F186 AromaticContact CE2-CE1 3.89Å; F172-F186 HydrophobicContact CE2-CE1 3.89Å |
| 173 | H | 90.6 | Very high | 85.6 | Confident | 91 Ų | 91 | 63.6 Ų | 63.6 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | trans | -62.7 | 151.8 | 179.6 | -156.3 | -93 | 0 | 0 | 0 | 111.6 | N175 Y176 | H173-N175 PolarHBondContact CE1-OD1 3.02Å; H173-N175 VanDerWaalsContact ND1-CG 3.28Å; H173-N175 PolarHBondContact ND1-OD1 3.41Å; H173-N175 PolarHBondContact O-N 2.04Å; H173-Y176 HydrophobicContact CB-CD2 4.04Å; H173-Y176 HydrophobicContact CB-CE2 4.19Å; H173-Y176 WeakPolarHBondContact O-CD2 3.3Å; H173-Y176 PolarHBondContact O-N 2.95Å; H173-Y176 VanDerWaalsContact O-N 3.14Å | ||
| 174 | C | 89.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 63 Ų | 63 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -59.1 | -24.6 | -178.9 | -66 | 0 | 0 | 0 | 0 | 113.6 | C113 Y176 F177 | C113-C174 HydrophobicContact CB-CB 3.82Å; C113-C174 WeakPolarHBondContact CB-SG 3.21Å; C113-C174 PolarHBondContact O-SG 2.92Å; C113-C174 VanDerWaalsContact O-SG 3.39Å; C113-C174 WeakPolarHBondContact SG-CA 3.22Å; C113-C174 WeakPolarHBondContact SG-CB 3.44Å; C113-C174 CovalentContact SG-SG 2.04Å; C113-C174 PolarHBondContact SG-SG 3.19Å; C174-Y176 PolarHBondContact O-N 2.88Å; C174-F177 PolarHBondContact O-N 2.81Å |
| 175 | N | 89.6 | Confident | 86 | Confident | 138 Ų | 138 | 55.9 Ų | 55.9 | 74% | 0.738 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -66.9 | -17.4 | -178.6 | -55.8 | 11.5 | 0 | 0 | 0 | 113.3 | H173 | H173-N175 PolarHBondContact CE1-OD1 3.02Å; H173-N175 VanDerWaalsContact ND1-CG 3.28Å; H173-N175 PolarHBondContact ND1-OD1 3.41Å; H173-N175 PolarHBondContact O-N 2.04Å |
| 176 | Y | 89.6 | Confident | 86.8 | Confident | 106 Ų | 106 | 52.2 Ų | 52.2 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -75.4 | -15.2 | 173.2 | -72 | -82.1 | 0 | 0 | 0 | 112.5 | V158 H173 C174 Y184 | V158-Y176 HydrophobicContact CG1-CD1 4.11Å; V158-Y176 WeakPolarHBondContact O-CD1 3.46Å; V158-Y176 WeakPolarHBondContact O-CE1 3.33Å; H173-Y176 HydrophobicContact CB-CD2 4.04Å; H173-Y176 HydrophobicContact CB-CE2 4.19Å; H173-Y176 WeakPolarHBondContact O-CD2 3.3Å; H173-Y176 PolarHBondContact O-N 2.95Å; H173-Y176 VanDerWaalsContact O-N 3.14Å; C174-Y176 PolarHBondContact O-N 2.88Å; Y176-Y184 WeakPolarHBondContact O-CE1 3.28Å; Y176-Y184 PolarHBondContact O-OH 3.12Å |
| 177 | F | 88.4 | Confident | 87.5 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | trans | -111 | 128.6 | -172 | -51.7 | -66.3 | 0 | 0 | 0 | 110.9 | L110 F111 I118 L138 F172 C174 Y184 F186 | L110-F177 HydrophobicContact CD2-CB 4.24Å; L110-F177 HydrophobicContact CD2-CD1 3.04Å; L110-F177 HydrophobicContact CD2-CD2 4.22Å; L110-F177 HydrophobicContact CD2-CE1 3.21Å; L110-F177 HydrophobicContact CD2-CE2 4.39Å; L110-F177 HydrophobicContact CD2-CG 3.57Å; L110-F177 HydrophobicContact CD2-CZ 3.92Å; F111-F177 HydrophobicContact CE2-CB 4.31Å; F111-F177 HydrophobicContact CZ-CB 3.86Å; I118-F177 HydrophobicContact CB-CE2 3.96Å; I118-F177 HydrophobicContact CB-CZ 4.18Å; I118-F177 HydrophobicContact CD1-CD2 3.76Å; I118-F177 HydrophobicContact CD1-CE1 4.28Å; I118-F177 HydrophobicContact CD1-CE2 3.48Å; I118-F177 VanDerWaalsContact CD1-CE2 3.48Å; I118-F177 HydrophobicContact CD1-CG 4.29Å; I118-F177 HydrophobicContact CD1-CZ 3.75Å; I118-F177 HydrophobicContact CG1-CD2 4.19Å; I118-F177 HydrophobicContact CG1-CE2 3.68Å; I118-F177 HydrophobicContact CG1-CZ 4.21Å; L138-F177 HydrophobicContact CD1-CE1 3.98Å; L138-F177 HydrophobicContact CD2-CD1 4.32Å; L138-F177 HydrophobicContact CD2-CE1 3.52Å; L138-F177 HydrophobicContact CD2-CZ 3.91Å; L138-F177 HydrophobicContact CG-CE1 4.36Å; F172-F177 HydrophobicContact CB-CE2 3.82Å; F172-F177 HydrophobicContact CB-CZ 3.63Å; F172-F177 HydrophobicContact CG-CZ 4.38Å; C174-F177 PolarHBondContact O-N 2.81Å; F177-Y184 WeakPolarHBondContact CA-OH 3.39Å; F177-Y184 AromaticContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD2 4.2Å; F177-Y184 AromaticContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE2 4.19Å; F177-Y184 HydrophobicContact CD1-CG 4.01Å; F177-Y184 AromaticContact CD1-CZ 3.96Å; F177-Y184 HydrophobicContact CE1-CD1 4.06Å; F177-Y184 HydrophobicContact CE1-CE1 4.36Å; F177-Y184 HydrophobicContact CE1-CG 4.34Å; F177-F186 HydrophobicContact CE1-CZ 4.29Å; F177-F186 HydrophobicContact CZ-CZ 4.31Å | ||
| 178 | D | 84.9 | Confident | 87.7 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | trans | -134.8 | 139.8 | 179.2 | -163.8 | -23.8 | 0 | 0 | 0 | 109 | I180 Y181 Y184 | D178-I180 HydrophobicContact CB-CD1 4.33Å; D178-I180 HydrophobicContact CB-CG1 3.91Å; D178-I180 PolarHBondContact O-N 2.7Å; D178-I180 PolarHBondContact OD1-N 3.2Å; D178-Y181 HydrophobicContact CB-CD2 4.29Å; D178-Y181 PolarHBondContact O-N 3.03Å; D178-Y184 PolarHBondContact N-OH 3.4Å; D178-Y184 PolarHBondContact O-OH 3.04Å | ||
| 179 | L | 80.8 | Confident | 87.8 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 60% | 0.602 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.5 | -179.5 | -72.2 | 163.9 | 0 | 0 | 0 | 112.2 | F111 Y181 | F111-L179 HydrophobicContact CB-CD2 4.36Å; F111-L179 HydrophobicContact CD1-CD2 4.23Å; F111-L179 HydrophobicContact CD1-CG 4.42Å; F111-L179 HydrophobicContact CD2-CD2 3.5Å; F111-L179 HydrophobicContact CD2-CG 4.21Å; F111-L179 HydrophobicContact CE1-CD2 4.43Å; F111-L179 HydrophobicContact CE1-CG 4.2Å; F111-L179 HydrophobicContact CE2-CD2 3.73Å; F111-L179 HydrophobicContact CE2-CG 3.97Å; F111-L179 HydrophobicContact CG-CD2 3.78Å; F111-L179 HydrophobicContact CG-CG 4.42Å; F111-L179 HydrophobicContact CZ-CD2 4.19Å; F111-L179 HydrophobicContact CZ-CG 3.96Å; L179-Y181 PolarHBondContact O-N 3.28Å |
| 180 | I | 80.6 | Confident | 87.3 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 60% | 0.595 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.3 | 174.5 | 67.7 | -179.2 | 0 | 0 | 0 | 112.5 | D178 | D178-I180 HydrophobicContact CB-CD1 4.33Å; D178-I180 HydrophobicContact CB-CG1 3.91Å; D178-I180 PolarHBondContact O-N 2.7Å; D178-I180 PolarHBondContact OD1-N 3.2Å |
| 181 | Y | 83.8 | Confident | 86.8 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -94.3 | 124 | 178.3 | -59.8 | -71.7 | 0 | 0 | 0 | 110 | A140 Q142 I156 D178 L179 E183 Y184 T207 | A140-Y181 HydrophobicContact CB-CD1 3.78Å; A140-Y181 HydrophobicContact CB-CD2 3.82Å; A140-Y181 HydrophobicContact CB-CE1 4.09Å; A140-Y181 HydrophobicContact CB-CE2 4.1Å; A140-Y181 HydrophobicContact CB-CG 3.63Å; Q142-Y181 HydrophobicContact CB-CD1 4.24Å; Q142-Y181 HydrophobicContact CB-CE1 4.07Å; Q142-Y181 HydrophobicContact CG-CE1 4.11Å; I156-Y181 HydrophobicContact CD1-CE1 3.68Å; D178-Y181 HydrophobicContact CB-CD2 4.29Å; D178-Y181 PolarHBondContact O-N 3.03Å; L179-Y181 PolarHBondContact O-N 3.28Å; Y181-E183 VanDerWaalsContact C-N 3.29Å; Y181-E183 PolarHBondContact O-N 3.44Å; Y181-Y184 AromaticContact CD2-CZ 3.96Å; Y181-Y184 WeakPolarHBondContact CD2-OH 3.33Å; Y181-T207 WeakPolarHBondContact O-CB 3.24Å; Y181-T207 WeakPolarHBondContact O-CG2 3.36Å; Y181-T207 PolarHBondContact O-OG1 2.71Å |
| 182 | P | 78.5 | Confident | 85.9 | Confident | 24 Ų | 24 | 46 Ų | 46 | 16% | 0.156 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -70.1 | -20.9 | -177.2 | 27.3 | -38.2 | 0 | 0 | 0 | 114.6 | I141 R144 S206 T207 | I141-P182 VanDerWaalsContact O-CD 3.3Å; I141-P182 WeakPolarHBondContact O-CD 3.38Å; R144-P182 HydrophobicContact CG-CB 4.3Å; R144-P182 HydrophobicContact CG-CG 4.15Å; P182-S206 WeakPolarHBondContact O-CA 3.45Å; P182-S206 PolarHBondContact O-OG 3.4Å; P182-T207 VanDerWaalsContact C-OG1 3.25Å; P182-T207 WeakPolarHBondContact CA-OG1 3.33Å; P182-T207 PolarHBondContact O-N 3.16Å; P182-T207 VanDerWaalsContact O-N 3.1Å; P182-T207 PolarHBondContact O-OG1 3.19Å |
| 183 | E | 85.3 | Confident | 84.5 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 141.2 | -173.9 | -166.9 | -172.7 | -113.4 | 0 | 0 | 110.9 | I141 R153 Y181 C204 V205 | I141-E183 HydrophobicContact CB-CB 4.24Å; I141-E183 HydrophobicContact CG1-CB 4.2Å; I141-E183 PolarHBondContact N-O 3.48Å; R153-E183 IonicContact CZ-OE2 3.16Å; R153-E183 IonicContact NH1-OE1 2.71Å; R153-E183 PolarHBondContact NH1-OE1 3.41Å; R153-E183 IonicContact NH1-OE2 3.38Å; R153-E183 PolarHBondContact NH1-OE2 3.17Å; Y181-E183 VanDerWaalsContact C-N 3.29Å; Y181-E183 PolarHBondContact O-N 3.44Å; E183-C204 HydrophobicContact CG-CB 3.93Å; E183-V205 WeakPolarHBondContact CA-O 3.47Å; E183-V205 WeakPolarHBondContact CG-O 3.06Å |
| 184 | Y | 89.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.9 | 169.4 | -76.5 | -97.6 | 0 | 0 | 0 | 110 | L110 L138 L139 A140 V158 Y176 F177 D178 Y181 C204 V205 T207 | L110-Y184 HydrophobicContact CD1-CD2 4.16Å; L110-Y184 HydrophobicContact CD1-CG 4.45Å; L110-Y184 HydrophobicContact CD2-CD2 4.01Å; L110-Y184 HydrophobicContact CD2-CG 4.1Å; L138-Y184 HydrophobicContact CD1-CD1 3.87Å; L138-Y184 HydrophobicContact CD1-CG 4.49Å; L138-Y184 HydrophobicContact CD2-CD1 4.41Å; L138-Y184 HydrophobicContact CG-CD1 4.15Å; L139-Y184 CarbonylContact O-C 3.6Å; L139-Y184 VanDerWaalsContact O-CA 3.31Å; L139-Y184 WeakPolarHBondContact O-CA 3.48Å; A140-Y184 HydrophobicContact CB-CD1 4.07Å; A140-Y184 HydrophobicContact CB-CE1 3.67Å; V158-Y184 HydrophobicContact CG2-CE1 4.18Å; Y176-Y184 WeakPolarHBondContact O-CE1 3.28Å; Y176-Y184 PolarHBondContact O-OH 3.12Å; F177-Y184 WeakPolarHBondContact CA-OH 3.39Å; F177-Y184 AromaticContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD2 4.2Å; F177-Y184 AromaticContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE2 4.19Å; F177-Y184 HydrophobicContact CD1-CG 4.01Å; F177-Y184 AromaticContact CD1-CZ 3.96Å; F177-Y184 HydrophobicContact CE1-CD1 4.06Å; F177-Y184 HydrophobicContact CE1-CE1 4.36Å; F177-Y184 HydrophobicContact CE1-CG 4.34Å; D178-Y184 PolarHBondContact N-OH 3.4Å; D178-Y184 PolarHBondContact O-OH 3.04Å; Y181-Y184 AromaticContact CD2-CZ 3.96Å; Y181-Y184 WeakPolarHBondContact CD2-OH 3.33Å; Y184-C204 CarbonylContact O-C 3.58Å; Y184-C204 VanDerWaalsContact O-CA 3.24Å; Y184-C204 WeakPolarHBondContact O-CA 3.37Å; Y184-V205 PolarHBondContact N-O 2.88Å; Y184-V205 PolarHBondContact O-N 3.45Å; Y184-T207 HydrophobicContact CD2-CG2 3.51Å; Y184-T207 HydrophobicContact CE2-CG2 3.58Å |
| 185 | C | 90 | Very high | 82.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.9 | 177.7 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | L139 Q202 C204 | L139-C185 HydrophobicContact CB-CB 4.43Å; L139-C185 PolarHBondContact N-O 3.49Å; L139-C185 PolarHBondContact O-N 3.5Å; C185-Q202 HydrophobicContact CB-CG 4.24Å; C185-C204 HydrophobicContact CB-CB 4.09Å; C185-C204 WeakPolarHBondContact CB-SG 3.11Å; C185-C204 WeakPolarHBondContact SG-CB 3.44Å; C185-C204 CovalentContact SG-SG 2.04Å; C185-C204 PolarHBondContact SG-SG 3.09Å |
| 186 | F | 91.9 | Very high | 81.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.3 | 169.7 | -58.6 | -91.7 | 0 | 0 | 0 | 108.4 | I103 M105 V120 L136 R137 L138 F172 F177 Q202 R203 V205 | I103-F186 HydrophobicContact CD1-CB 4.41Å; I103-F186 WeakPolarHBondContact CD1-O 3.33Å; I103-F186 HydrophobicContact CG2-CB 4.33Å; M105-F186 HydrophobicContact CE-CD2 3.61Å; M105-F186 HydrophobicContact CE-CE2 4.1Å; M105-F186 HydrophobicContact CE-CG 4.47Å; M105-F186 HydrophobicContact SD-CD2 3.64Å; M105-F186 HydrophobicContact SD-CE2 3.57Å; M105-F186 VanDerWaalsContact SD-CE2 3.57Å; M105-F186 HydrophobicContact SD-CZ 4.41Å; V120-F186 HydrophobicContact CG2-CD1 3.84Å; V120-F186 HydrophobicContact CG2-CE1 3.54Å; V120-F186 HydrophobicContact CG2-CG 4.46Å; V120-F186 HydrophobicContact CG2-CZ 3.96Å; L136-F186 HydrophobicContact CD1-CB 4.2Å; L136-F186 HydrophobicContact CD2-CD1 4.22Å; L136-F186 HydrophobicContact CG-CB 4.49Å; R137-F186 CarbonylContact O-C 3.51Å; R137-F186 WeakPolarHBondContact O-CA 3.28Å; L138-F186 HydrophobicContact CD1-CD1 3.83Å; L138-F186 HydrophobicContact CD1-CE1 3.56Å; L138-F186 HydrophobicContact CD1-CE2 4.37Å; L138-F186 HydrophobicContact CD1-CG 4.35Å; L138-F186 HydrophobicContact CD1-CZ 3.86Å; F172-F186 HydrophobicContact CD2-CD1 4.39Å; F172-F186 AromaticContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CE2-CD1 4.01Å; F172-F186 AromaticContact CE2-CE1 3.89Å; F172-F186 HydrophobicContact CE2-CE1 3.89Å; F177-F186 HydrophobicContact CE1-CZ 4.29Å; F177-F186 HydrophobicContact CZ-CZ 4.31Å; F186-Q202 CarbonylContact O-C 3.46Å; F186-Q202 VanDerWaalsContact O-CA 3.3Å; F186-Q202 WeakPolarHBondContact O-CA 3.3Å; F186-R203 PolarHBondContact N-O 3.09Å; F186-R203 PolarHBondContact O-N 3.28Å; F186-V205 HydrophobicContact CE2-CG2 4.42Å |
| 187 | R | 90.9 | Very high | 80.8 | Confident | 76 Ų | 76 | 49 Ų | 49 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.2 | -177.2 | -176 | -178.1 | -69.1 | 167.1 | 3.4 | 109.9 | R137 L139 V189 Q199 A201 Q202 | R137-R187 HydrophobicContact CB-CB 4.5Å; R137-R187 PolarHBondContact N-O 3.29Å; R137-R187 PolarHBondContact O-N 2.73Å; L139-R187 HydrophobicContact CD1-CB 3.76Å; R187-V189 HydrophobicContact CG-CG1 4Å; R187-Q199 VanDerWaalsContact CD-OE1 3.23Å; R187-Q199 HydrophobicContact CG-CG 3.84Å; R187-Q199 VanDerWaalsContact NE-OE1 3.14Å; R187-A201 WeakPolarHBondContact CA-O 3.31Å; R187-Q202 HydrophobicContact CB-CG 4.49Å; R187-Q202 VanDerWaalsContact CZ-OE1 3.29Å |
| 188 | M | 88.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.6 | 176 | -175 | 179.8 | -79.3 | 0 | 0 | 109.8 | Y101 I103 T122 T124 Q135 L136 L163 H200 A201 | Y101-M188 HydrophobicContact CD1-CG 4.43Å; Y101-M188 HydrophobicContact CD1-SD 3.48Å; Y101-M188 WeakPolarHBondContact CD1-SD 3.34Å; Y101-M188 HydrophobicContact CE1-SD 4.49Å; Y101-M188 HydrophobicContact CG-SD 4.07Å; I103-M188 HydrophobicContact CD1-CB 3.99Å; I103-M188 HydrophobicContact CG1-CB 4.28Å; I103-M188 HydrophobicContact CG1-CE 4.03Å; T122-M188 HydrophobicContact CG2-CE 3.47Å; T122-M188 VanDerWaalsContact CG2-CE 3.47Å; T124-M188 HydrophobicContact CG2-CE 4.16Å; T124-M188 HydrophobicContact CG2-SD 4.02Å; Q135-M188 WeakPolarHBondContact O-CA 3.31Å; L136-M188 HydrophobicContact CD1-CB 4.12Å; L163-M188 HydrophobicContact CD1-CE 3.79Å; L163-M188 HydrophobicContact CD1-CG 4.21Å; M188-H200 PolarHBondContact O-N 2.74Å; M188-A201 HydrophobicContact CB-CB 4.28Å; M188-A201 PolarHBondContact N-O 3.1Å |
| 189 | V | 87.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.9 | 179.6 | -57.6 | 0 | 0 | 0 | 0 | 111 | Q135 R137 R187 V197 Q198 Q199 | Q135-V189 HydrophobicContact CB-CG2 3.98Å; Q135-V189 PolarHBondContact N-O 3.26Å; Q135-V189 PolarHBondContact O-N 3.1Å; R137-V189 HydrophobicContact CG-CG2 4.21Å; R187-V189 HydrophobicContact CG-CG1 4Å; V189-V197 HydrophobicContact CB-CG1 3.64Å; V189-V197 HydrophobicContact CG1-CG1 3.85Å; V189-V197 HydrophobicContact CG2-CG1 3.98Å; V189-Q198 CarbonylContact C-O 3.48Å; V189-Q198 WeakPolarHBondContact CA-O 3.3Å; V189-Q198 WeakPolarHBondContact CB-O 3.42Å; V189-Q199 HydrophobicContact CG1-CB 4.45Å |
| 190 | S | 81.4 | Confident | 79.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135 | 162 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | L133 V197 Q198 H200 | L133-S190 CarbonylContact O-C 3.53Å; L133-S190 WeakPolarHBondContact O-CA 3.19Å; S190-V197 WeakPolarHBondContact O-CA 3.1Å; S190-Q198 PolarHBondContact N-O 3.46Å; S190-Q198 PolarHBondContact O-N 2.85Å; S190-H200 WeakPolarHBondContact CB-NE2 3.24Å; S190-H200 PolarHBondContact OG-NE2 3.02Å |
| 191 | V | 80.2 | Confident | 79.9 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.8 | 172.9 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | L133 F196 V197 | L133-V191 HydrophobicContact CB-CB 4.48Å; L133-V191 PolarHBondContact N-O 2.62Å; L133-V191 PolarHBondContact O-N 2.96Å; V191-F196 WeakPolarHBondContact CA-O 3.38Å; V191-V197 HydrophobicContact CG2-CG2 4.32Å |
| 192 | L | 72.3 | Confident | 80.1 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | trans | -86.1 | 159.2 | 170.7 | -75.7 | 82.4 | 0 | 0 | 0 | 109.1 | V132 D194 G195 F196 | V132-L192 HydrophobicContact CG2-CG 4.34Å; L192-D194 PolarHBondContact O-N 3Å; L192-G195 PolarHBondContact O-N 3.1Å; L192-F196 HydrophobicContact CB-CB 4.43Å; L192-F196 HydrophobicContact CD1-CD1 4.35Å; L192-F196 PolarHBondContact N-O 3.26Å | ||
| 193 | G | 60.3 | Low | 80.5 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -16.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G195 | G193-G195 VanDerWaalsContact C-N 3.32Š|
| 194 | D | 68.7 | Low | 80.6 | Confident | 130 Ų | 130 | 49.8 Ų | 49.8 | 70% | 0.695 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 6.1 | 173.5 | 60.8 | -14.9 | 0 | 0 | 0 | 113.8 | L192 F196 | L192-D194 PolarHBondContact O-N 3Å; D194-F196 PolarHBondContact O-N 3.41Å; D194-F196 WeakPolarHBondContact OD1-CB 3.32Å; D194-F196 PolarHBondContact OD1-N 3.41Å; D194-F196 VanDerWaalsContact OD1-N 3.13Å |
| 195 | G | 69.1 | Low | 80.4 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | trans | 78.2 | 6.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L192 G193 V197 | L192-G195 PolarHBondContact O-N 3.1Å; G193-G195 VanDerWaalsContact C-N 3.32Å; G195-V197 WeakPolarHBondContact O-CG2 3.28Å; G195-V197 PolarHBondContact O-N 3.46Å | ||
| 196 | F | 67.4 | Low | 80 | Confident | 120 Ų | 120 | 52 Ų | 52 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | trans | -65 | 120.6 | 174.7 | -174.1 | -93.3 | 0 | 0 | 0 | 110.1 | V191 L192 D194 Q198 | V191-F196 WeakPolarHBondContact CA-O 3.38Å; L192-F196 HydrophobicContact CB-CB 4.43Å; L192-F196 HydrophobicContact CD1-CD1 4.35Å; L192-F196 PolarHBondContact N-O 3.26Å; D194-F196 PolarHBondContact O-N 3.41Å; D194-F196 WeakPolarHBondContact OD1-CB 3.32Å; D194-F196 PolarHBondContact OD1-N 3.41Å; D194-F196 VanDerWaalsContact OD1-N 3.13Å; F196-Q198 HydrophobicContact CE1-CB 4.2Å | ||
| 197 | V | 76.8 | Confident | 79.3 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.6 | -178.5 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | V189 S190 V191 G195 | V189-V197 HydrophobicContact CB-CG1 3.64Å; V189-V197 HydrophobicContact CG1-CG1 3.85Å; V189-V197 HydrophobicContact CG2-CG1 3.98Å; S190-V197 WeakPolarHBondContact O-CA 3.1Å; V191-V197 HydrophobicContact CG2-CG2 4.32Å; G195-V197 WeakPolarHBondContact O-CG2 3.28Å; G195-V197 PolarHBondContact O-N 3.46Å |
| 198 | Q | 74.2 | Confident | 78.2 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.2 | 172.1 | -166.8 | -173.1 | -26.4 | 0 | 0 | 110.7 | V189 S190 F196 H200 | V189-Q198 CarbonylContact C-O 3.48Å; V189-Q198 WeakPolarHBondContact CA-O 3.3Å; V189-Q198 WeakPolarHBondContact CB-O 3.42Å; S190-Q198 PolarHBondContact N-O 3.46Å; S190-Q198 PolarHBondContact O-N 2.85Å; F196-Q198 HydrophobicContact CE1-CB 4.2Å; Q198-H200 VanDerWaalsContact CD-CE1 3.41Å; Q198-H200 PolarHBondContact NE2-CE1 3.46Å; Q198-H200 VanDerWaalsContact NE2-CE1 3.26Å |
| 199 | Q | 78.9 | Confident | 76.9 | Confident | 100 Ų | 100 | 56.1 Ų | 56.1 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.7 | 174.8 | -178.3 | 179.4 | -40.8 | 0 | 0 | 110.8 | R187 V189 | R187-Q199 VanDerWaalsContact CD-OE1 3.23Å; R187-Q199 HydrophobicContact CG-CG 3.84Å; R187-Q199 VanDerWaalsContact NE-OE1 3.14Å; V189-Q199 HydrophobicContact CG1-CB 4.45Å |
| 200 | H | 81.1 | Confident | 75.4 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -44.8 | -177.9 | -61.6 | -66.7 | 0 | 0 | 0 | 113.2 | Y101 M188 S190 Q198 | Y101-H200 HydrophobicContact CD1-CB 3.96Å; Y101-H200 HydrophobicContact CD2-CB 3.55Å; Y101-H200 AromaticContact CD2-CG 3.58Å; Y101-H200 AromaticContact CD2-ND1 3.65Å; Y101-H200 HydrophobicContact CE1-CB 4.45Å; Y101-H200 AromaticContact CE1-CD2 3.86Å; Y101-H200 HydrophobicContact CE2-CB 4.13Å; Y101-H200 AromaticContact CE2-CE1 3.72Å; Y101-H200 AromaticContact CE2-CG 3.62Å; Y101-H200 AromaticContact CE2-ND1 3.39Å; Y101-H200 WeakPolarHBondContact CE2-ND1 3.39Å; Y101-H200 HydrophobicContact CG-CB 3.43Å; Y101-H200 VanDerWaalsContact CG-CB 3.43Å; Y101-H200 AromaticContact CG-CG 3.78Å; Y101-H200 AromaticContact CZ-CD2 3.83Å; Y101-H200 AromaticContact CZ-CE1 3.8Å; Y101-H200 AromaticContact CZ-CG 3.83Å; Y101-H200 AromaticContact CZ-ND1 3.84Å; Y101-H200 AromaticContact CZ-NE2 3.81Å; M188-H200 PolarHBondContact O-N 2.74Å; S190-H200 WeakPolarHBondContact CB-NE2 3.24Å; S190-H200 PolarHBondContact OG-NE2 3.02Å; Q198-H200 VanDerWaalsContact CD-CE1 3.41Å; Q198-H200 PolarHBondContact NE2-CE1 3.46Å; Q198-H200 VanDerWaalsContact NE2-CE1 3.26Å |
| 201 | A | 82.8 | Confident | 74.1 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 | I103 R187 M188 | I103-A201 HydrophobicContact CD1-CB 4.04Å; I103-A201 HydrophobicContact CG1-CB 4.18Å; R187-A201 WeakPolarHBondContact CA-O 3.31Å; M188-A201 HydrophobicContact CB-CB 4.28Å; M188-A201 PolarHBondContact N-O 3.1Å |
| 202 | Q | 87.6 | Confident | 73.2 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 134.4 | 170.6 | -176.5 | 177.6 | -66.4 | 0 | 0 | 109.3 | C185 F186 R187 C204 | C185-Q202 HydrophobicContact CB-CG 4.24Å; F186-Q202 CarbonylContact O-C 3.46Å; F186-Q202 VanDerWaalsContact O-CA 3.3Å; F186-Q202 WeakPolarHBondContact O-CA 3.3Å; R187-Q202 HydrophobicContact CB-CG 4.49Å; R187-Q202 VanDerWaalsContact CZ-OE1 3.29Å; Q202-C204 PolarHBondContact NE2-SG 2.64Å; Q202-C204 VanDerWaalsContact NE2-SG 3.41Å |
| 203 | R | 87 | Confident | 73.2 | Confident | 126 Ų | 126 | 77.5 Ų | 77.5 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.2 | 173.4 | -175.6 | 72 | 178 | 123.5 | 4 | 108.9 | I103 M105 F186 | I103-R203 HydrophobicContact CB-CB 4.17Å; I103-R203 HydrophobicContact CD1-CB 4.44Å; I103-R203 HydrophobicContact CG2-CB 4.15Å; M105-R203 HydrophobicContact CE-CB 3.57Å; M105-R203 HydrophobicContact CE-CG 3.03Å; F186-R203 PolarHBondContact N-O 3.09Å; F186-R203 PolarHBondContact O-N 3.28Å |
| 204 | C | 86.5 | Confident | 73.9 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146.4 | 179.7 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | E183 Y184 C185 Q202 | E183-C204 HydrophobicContact CG-CB 3.93Å; Y184-C204 CarbonylContact O-C 3.58Å; Y184-C204 VanDerWaalsContact O-CA 3.24Å; Y184-C204 WeakPolarHBondContact O-CA 3.37Å; C185-C204 HydrophobicContact CB-CB 4.09Å; C185-C204 WeakPolarHBondContact CB-SG 3.11Å; C185-C204 WeakPolarHBondContact SG-CB 3.44Å; C185-C204 CovalentContact SG-SG 2.04Å; C185-C204 PolarHBondContact SG-SG 3.09Å; Q202-C204 PolarHBondContact NE2-SG 2.64Å; Q202-C204 VanDerWaalsContact NE2-SG 3.41Å |
| 205 | V | 85.5 | Confident | 74.5 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.9 | 179.9 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | M105 D108 L110 E183 Y184 F186 | M105-V205 HydrophobicContact CE-CG2 3.31Å; M105-V205 HydrophobicContact SD-CG2 3.44Å; M105-V205 WeakPolarHBondContact SD-CG2 3.2Å; D108-V205 VanDerWaalsContact C-CG1 3.49Å; D108-V205 WeakPolarHBondContact O-CG1 3.41Å; L110-V205 HydrophobicContact CD1-CB 3.6Å; L110-V205 HydrophobicContact CD1-CG1 3.66Å; L110-V205 HydrophobicContact CG-CG1 4.43Å; E183-V205 WeakPolarHBondContact CA-O 3.47Å; E183-V205 WeakPolarHBondContact CG-O 3.06Å; Y184-V205 PolarHBondContact N-O 2.88Å; Y184-V205 PolarHBondContact O-N 3.45Å; F186-V205 HydrophobicContact CE2-CG2 4.42Å |
| 206 | S | 80.6 | Confident | 75.2 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 145.2 | 178 | -169 | 0 | 0 | 0 | 0 | 111 | P182 | P182-S206 WeakPolarHBondContact O-CA 3.45Å; P182-S206 PolarHBondContact O-OG 3.4Å |
| 207 | T | 78.4 | Confident | 76.1 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -80.6 | -24.4 | 174.4 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | L110 F111 Y181 P182 Y184 L209 | L110-T207 HydrophobicContact CD1-CG2 4.3Å; F111-T207 HydrophobicContact CD2-CG2 4.06Å; F111-T207 HydrophobicContact CE2-CG2 3.77Å; Y181-T207 WeakPolarHBondContact O-CB 3.24Å; Y181-T207 WeakPolarHBondContact O-CG2 3.36Å; Y181-T207 PolarHBondContact O-OG1 2.71Å; P182-T207 VanDerWaalsContact C-OG1 3.25Å; P182-T207 WeakPolarHBondContact CA-OG1 3.33Å; P182-T207 PolarHBondContact O-N 3.16Å; P182-T207 VanDerWaalsContact O-N 3.1Å; P182-T207 PolarHBondContact O-OG1 3.19Å; Y184-T207 HydrophobicContact CD2-CG2 3.51Å; Y184-T207 HydrophobicContact CE2-CG2 3.58Å; T207-L209 PolarHBondContact O-N 3.45Å |
| 208 | E | 67.1 | Low | 76.8 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -73.7 | 132.3 | -179 | -59.1 | -172.3 | 152.4 | 0 | 0 | 111 | R144 K210 R248 F249 | R144-E208 IonicContact CZ-OE1 3.79Å; R144-E208 IonicContact CZ-OE2 3.08Å; R144-E208 VanDerWaalsContact NH1-CD 3.26Å; R144-E208 IonicContact NH1-OE1 3.98Å; R144-E208 PolarHBondContact NH1-OE1 3Å; R144-E208 IonicContact NH1-OE2 3.28Å; R144-E208 PolarHBondContact NH1-OE2 2.84Å; R144-E208 VanDerWaalsContact NH1-OE2 3.16Å; R144-E208 IonicContact NH2-OE1 2.74Å; R144-E208 PolarHBondContact NH2-OE1 2.99Å; R144-E208 IonicContact NH2-OE2 2.75Å; R144-E208 PolarHBondContact NH2-OE2 2.95Å; E208-K210 PolarHBondContact O-N 3.33Å; E208-R248 IonicContact OE1-CZ 3.7Å; E208-R248 IonicContact OE1-NE 3Å; E208-R248 IonicContact OE1-NH1 2.62Å; E208-R248 PolarHBondContact OE1-NH1 3.22Å; E208-R248 WeakPolarHBondContact OE2-CD 3.47Å; E208-R248 IonicContact OE2-NH1 3.35Å; E208-F249 HydrophobicContact CB-CD1 4.29Å; E208-F249 HydrophobicContact CB-CE1 3.55Å; E208-F249 HydrophobicContact CB-CZ 4.4Å |
| 209 | L | 61.3 | Low | 77.6 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | trans | -50.6 | 104.7 | 172.2 | -97.4 | 150.7 | 0 | 0 | 0 | 109.3 | T207 T211 F249 | T207-L209 PolarHBondContact O-N 3.45Å; L209-T211 PolarHBondContact O-N 2.98Å; L209-F249 WeakPolarHBondContact O-CD1 3.27Å; L209-F249 WeakPolarHBondContact O-CE1 3.09Å; L209-F249 VanDerWaalsContact O-CZ 3.27Å; L209-F249 WeakPolarHBondContact O-CZ 3.46Å | ||
| 210 | K | 56.6 | Low | 78.2 | Confident | 115 Ų | 115 | 72.4 Ų | 72.4 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | trans | -59 | 82.5 | 169.7 | -155.4 | 179.9 | -171.8 | -176.9 | 0 | 108.2 | R109 E208 R212 F249 | R109-K210 PolarHBondContact NH1-O 3.22Å; R109-K210 VanDerWaalsContact NH1-O 3.09Å; E208-K210 PolarHBondContact O-N 3.33Å; K210-R212 PolarHBondContact O-N 3.27Å; K210-F249 HydrophobicContact CG-CB 4.35Å | ||
| 211 | T | 54.6 | Low | 78.9 | Confident | 79 Ų | 79 | 74 Ų | 74 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | trans | -55.9 | 130.1 | 154.9 | 49.5 | 0 | 0 | 0 | 0 | 103.9 | L209 V213 F249 | L209-T211 PolarHBondContact O-N 2.98Å; T211-V213 PolarHBondContact O-N 2.64Å; T211-F249 WeakPolarHBondContact OG1-CD2 2.82Å; T211-F249 WeakPolarHBondContact OG1-CE2 3.49Å | ||
| 212 | R | 59.7 | Low | 79.3 | Confident | 241 Ų | 241 | 76.7 Ų | 76.7 | 91% | 0.909 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -56.8 | -8.4 | -167.4 | -67.4 | -177.8 | -151.1 | -132.2 | 2.2 | 114.3 | K210 | K210-R212 PolarHBondContact O-N 3.27Š|
| 213 | V | 73.1 | Confident | 79.6 | Confident | 105 Ų | 105 | 78.8 Ų | 78.8 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -98.2 | 114.4 | 179.9 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | T211 I215 | T211-V213 PolarHBondContact O-N 2.64Å; V213-I215 PolarHBondContact O-N 3.47Å |
| 214 | P | 74.4 | Confident | 79.9 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | trans | -59.3 | 128.8 | 168 | 22.5 | -29.3 | 0 | 0 | 0 | 110 | ||||
| 215 | I | 81.4 | Confident | 80.1 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -91.3 | 108.8 | 173.9 | -63.2 | 174.3 | 0 | 0 | 0 | 107.1 | V213 P245 P247 R248 F249 G251 | V213-I215 PolarHBondContact O-N 3.47Å; I215-P245 HydrophobicContact CG2-CB 4.14Å; I215-P245 HydrophobicContact CG2-CG 3.78Å; I215-P247 CarbonylContact O-C 3.59Å; I215-P247 WeakPolarHBondContact O-CA 3.28Å; I215-R248 HydrophobicContact CB-CB 4.12Å; I215-R248 HydrophobicContact CD1-CB 4.39Å; I215-R248 PolarHBondContact N-O 3.37Å; I215-R248 PolarHBondContact O-N 3.34Å; I215-F249 HydrophobicContact CD1-CD2 3.91Å; I215-F249 HydrophobicContact CD1-CE2 3.58Å; I215-F249 HydrophobicContact CG1-CD2 3.93Å; I215-F249 HydrophobicContact CG1-CE2 4.14Å; I215-G251 WeakPolarHBondContact O-CA 3.49Å |
| 216 | H | 83.8 | Confident | 80.4 | Confident | 83 Ų | 83 | 80.8 Ų | 80.8 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | trans | -69.5 | 137.1 | 175.4 | -62.2 | -51.8 | 0 | 0 | 0 | 110.8 | R252 | H216-R252 PolarHBondContact ND1-N 3.41Å; H216-R252 VanDerWaalsContact ND1-N 3.13Å | ||
| 217 | G | 87.2 | Confident | 80.8 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 11% | 0.113 | 45% | 0.445 | C | S | . | . | trans | -65.7 | 139.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P245 R252 | G217-P245 CarbonylContact C-O 3.58Å; G217-P245 WeakPolarHBondContact CA-O 3.43Å; G217-R252 PolarHBondContact N-O 3.11Å | ||
| 218 | R | 91 | Very high | 81.3 | Confident | 174 Ų | 174 | 87.2 Ų | 87.2 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | trans | -125 | 148.4 | 170.2 | -60.9 | 174 | 68.4 | -176.5 | 1.6 | 110.6 | D243 N244 P245 C254 | R218-D243 PolarHBondContact O-N 3.29Å; R218-N244 VanDerWaalsContact CB-O 3.3Å; R218-N244 WeakPolarHBondContact CB-O 3.39Å; R218-N244 PolarHBondContact O-N 3.27Å; R218-N244 VanDerWaalsContact O-N 3.15Å; R218-P245 PolarHBondContact N-O 3.42Å; R218-C254 VanDerWaalsContact CA-SG 3.59Å; R218-C254 PolarHBondContact N-SG 2.72Å | ||
| 219 | W | 90.9 | Very high | 82.2 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 25% | 0.25 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 137 | 178.6 | -72.2 | 114.6 | 0 | 0 | 0 | 111.7 | R240 C242 C254 E255 G256 | W219-R240 HydrophobicContact CD2-CG 4.08Å; W219-R240 HydrophobicContact CE3-CB 4.18Å; W219-R240 HydrophobicContact CE3-CG 3.48Å; W219-R240 VanDerWaalsContact CE3-CG 3.48Å; W219-R240 HydrophobicContact CZ3-CG 3.82Å; W219-R240 WeakPolarHBondContact CZ3-O 3.41Å; W219-C242 HydrophobicContact CZ3-CB 4.39Å; W219-C254 HydrophobicContact CD2-CB 3.79Å; W219-C254 HydrophobicContact CE3-CB 4.31Å; W219-C254 HydrophobicContact CG-CB 4.25Å; W219-C254 HydrophobicContact CH2-CB 4.15Å; W219-C254 HydrophobicContact CZ2-CB 3.6Å; W219-C254 HydrophobicContact CZ3-CB 4.48Å; W219-E255 PolarHBondContact NE1-O 3.07Å; W219-G256 WeakPolarHBondContact CZ2-O 3.4Å |
| 220 | S | 92.3 | Very high | 83.1 | Confident | 17 Ų | 17 | 89.1 Ų | 89.1 | 12% | 0.119 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 162.2 | 161.9 | 82 | 0 | 0 | 0 | 0 | 110.5 | F241 D243 | S220-F241 WeakPolarHBondContact CB-O 3.4Å; S220-F241 PolarHBondContact N-O 3.44Å; S220-F241 PolarHBondContact OG-N 3.32Å; S220-D243 WeakPolarHBondContact CB-OD1 3.47Å |
| 221 | A | 94.6 | Very high | 84 | Confident | 83 Ų | 83 | 86.1 Ų | 86.1 | 69% | 0.686 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 147.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K223 | A221-K223 PolarHBondContact O-N 3.29Š|
| 222 | W | 92.6 | Very high | 84.8 | Confident | 76 Ų | 76 | 86.3 Ų | 86.3 | 29% | 0.288 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.7 | 173.7 | -74.2 | 105.6 | 0 | 0 | 0 | 110.3 | R238 R240 E260 | W222-R238 HydrophobicContact CD2-CG 4.3Å; W222-R238 HydrophobicContact CE3-CB 4.31Å; W222-R238 HydrophobicContact CE3-CG 3.61Å; W222-R238 HydrophobicContact CZ3-CG 3.89Å; W222-R240 HydrophobicContact CD2-CB 4.06Å; W222-R240 HydrophobicContact CD2-CG 4.08Å; W222-R240 HydrophobicContact CE3-CB 3.78Å; W222-R240 HydrophobicContact CE3-CG 3.77Å; W222-R240 HydrophobicContact CH2-CG 3.75Å; W222-R240 HydrophobicContact CZ2-CG 4.06Å; W222-R240 HydrophobicContact CZ3-CB 4.1Å; W222-R240 HydrophobicContact CZ3-CG 3.6Å; W222-E260 HydrophobicContact CH2-CB 3.72Å; W222-E260 HydrophobicContact CZ2-CB 4.44Å; W222-E260 WeakPolarHBondContact CZ2-OE2 2.85Å; W222-E260 HydrophobicContact CZ3-CB 3.93Å |
| 223 | K | 92.7 | Very high | 85.7 | Confident | 126 Ų | 126 | 80.7 Ų | 80.7 | 55% | 0.548 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 159.7 | 164.9 | -63.1 | -65.2 | -176 | 178.7 | 0 | 109.4 | A221 F239 F241 | A221-K223 PolarHBondContact O-N 3.29Å; K223-F239 WeakPolarHBondContact CB-O 3.41Å; K223-F239 WeakPolarHBondContact CG-O 3.36Å; K223-F239 PolarHBondContact N-O 3.33Å; K223-F241 HydrophobicContact CG-CE2 4.49Å |
| 224 | G | 93 | Very high | 86.3 | Confident | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 156.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G226 | G224-G226 PolarHBondContact O-N 3.39Š|
| 225 | W | 92.3 | Very high | 87.1 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 38% | 0.375 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 134.7 | 173.8 | -69.1 | 104.7 | 0 | 0 | 0 | 110.5 | Q236 R238 E260 A262 | W225-Q236 VanDerWaalsContact CB-OE1 3.24Å; W225-Q236 HydrophobicContact CD2-CG 4.12Å; W225-Q236 HydrophobicContact CE3-CB 4.13Å; W225-Q236 HydrophobicContact CE3-CG 3.57Å; W225-Q236 HydrophobicContact CZ3-CG 4.1Å; W225-R238 HydrophobicContact CD2-CB 4.09Å; W225-R238 HydrophobicContact CD2-CG 4.21Å; W225-R238 HydrophobicContact CE3-CB 3.76Å; W225-R238 HydrophobicContact CE3-CG 3.85Å; W225-R238 HydrophobicContact CH2-CG 3.77Å; W225-R238 HydrophobicContact CZ2-CG 4.15Å; W225-R238 HydrophobicContact CZ3-CB 4.03Å; W225-R238 HydrophobicContact CZ3-CG 3.62Å; W225-E260 HydrophobicContact CH2-CG 4.13Å; W225-A262 HydrophobicContact CE3-CB 4.33Å; W225-A262 HydrophobicContact CH2-CB 3.33Å; W225-A262 HydrophobicContact CZ2-CB 3.97Å; W225-A262 HydrophobicContact CZ3-CB 3.54Å |
| 226 | G | 91.2 | Very high | 87.6 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 38% | 0.381 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 171.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G224 Q236 H237 | G224-G226 PolarHBondContact O-N 3.39Å; G226-Q236 WeakPolarHBondContact O-CB 3.3Å; G226-H237 PolarHBondContact N-O 2.74Å |
| 227 | S | 89.4 | Confident | 88.1 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 83% | 0.825 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 144.6 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 228 | C | 89.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 76 Ų | 76 | 43% | 0.432 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 136.2 | 174 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | A234 C264 | C228-A234 HydrophobicContact CB-CB 4.38Å; C228-C264 VanDerWaalsContact CA-SG 3.53Å; C228-C264 HydrophobicContact CB-CB 3.54Å; C228-C264 WeakPolarHBondContact CB-SG 3.41Å; C228-C264 WeakPolarHBondContact SG-CB 3.35Å; C228-C264 CovalentContact SG-SG 2.02Å; C228-C264 PolarHBondContact SG-SG 3.31Å |
| 229 | S | 85.5 | Confident | 88.6 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 149.8 | 170.9 | 69.5 | 0 | 0 | 0 | 0 | 110.8 | A234 V235 | S229-A234 WeakPolarHBondContact O-CB 3.29Å; S229-A234 WeakPolarHBondContact OG-CA 3.16Å; S229-V235 PolarHBondContact N-O 3.38Å; S229-V235 PolarHBondContact OG-N 3.01Å; S229-V235 PolarHBondContact OG-O 3.15Å |
| 230 | T | 80.5 | Confident | 88.7 | Confident | 145 Ų | 145 | 71.5 Ų | 71.5 | 89% | 0.89 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -79.8 | 130.2 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 231 | G | 73.7 | Confident | 88.6 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 53% | 0.526 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 137 | 171.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N233 A234 S266 | G231-N233 PolarHBondContact O-N 2.92Å; G231-A234 PolarHBondContact O-N 3.2Å; G231-S266 WeakPolarHBondContact O-CB 3.49Å |
| 232 | C | 71.7 | Confident | 88.3 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 57% | 0.568 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 126.6 | 167.7 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | C268 | C232-C268 WeakPolarHBondContact CA-SG 3.49Å; C232-C268 HydrophobicContact CB-CB 4.15Å; C232-C268 WeakPolarHBondContact CB-SG 3.27Å; C232-C268 WeakPolarHBondContact SG-CB 3.46Å; C232-C268 CovalentContact SG-SG 2.02Å; C232-C268 PolarHBondContact SG-SG 3.41Å |
| 233 | N | 80.1 | Confident | 88.1 | Confident | 122 Ų | 122 | 73.1 Ų | 73.1 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 42.8 | -167.7 | -48.3 | -55 | 0 | 0 | 0 | 114.1 | G231 S266 | G231-N233 PolarHBondContact O-N 2.92Å; N233-S266 WeakPolarHBondContact CA-OG 3.36Å; N233-S266 PolarHBondContact N-OG 2.95Å |
| 234 | A | 85.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | trans | -50.9 | 141.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C228 S229 G231 R263 C264 S266 | C228-A234 HydrophobicContact CB-CB 4.38Å; S229-A234 WeakPolarHBondContact O-CB 3.29Å; S229-A234 WeakPolarHBondContact OG-CA 3.16Å; G231-A234 PolarHBondContact O-N 3.2Å; A234-R263 WeakPolarHBondContact O-CA 3.33Å; A234-C264 HydrophobicContact CB-CB 3.72Å; A234-C264 PolarHBondContact O-N 2.78Å; A234-S266 PolarHBondContact N-OG 2.87Å | ||
| 235 | V | 90.5 | Very high | 87.5 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 26% | 0.255 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.2 | 175.8 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | S229 T261 A262 R263 | S229-V235 PolarHBondContact N-O 3.38Å; S229-V235 PolarHBondContact OG-N 3.01Å; S229-V235 PolarHBondContact OG-O 3.15Å; V235-T261 HydrophobicContact CB-CG2 3.83Å; V235-T261 HydrophobicContact CG1-CG2 4.14Å; V235-T261 HydrophobicContact CG2-CG2 4.3Å; V235-A262 CarbonylContact C-O 3.52Å; V235-A262 VanDerWaalsContact CA-O 3.27Å; V235-A262 WeakPolarHBondContact CA-O 3.32Å; V235-R263 HydrophobicContact CG1-CG 4.43Å |
| 236 | Q | 92.6 | Very high | 87 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 19% | 0.192 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.9 | 172.3 | 51.5 | -173.3 | -18.4 | 0 | 0 | 109.4 | W225 G226 T261 A262 C264 | W225-Q236 VanDerWaalsContact CB-OE1 3.24Å; W225-Q236 HydrophobicContact CD2-CG 4.12Å; W225-Q236 HydrophobicContact CE3-CB 4.13Å; W225-Q236 HydrophobicContact CE3-CG 3.57Å; W225-Q236 HydrophobicContact CZ3-CG 4.1Å; G226-Q236 WeakPolarHBondContact O-CB 3.3Å; Q236-T261 CarbonylContact O-C 3.6Å; Q236-T261 WeakPolarHBondContact O-CA 3.45Å; Q236-A262 HydrophobicContact CG-CB 4.12Å; Q236-A262 WeakPolarHBondContact CG-O 3.06Å; Q236-A262 PolarHBondContact N-O 3.24Å; Q236-A262 PolarHBondContact O-N 3.39Å; Q236-C264 WeakPolarHBondContact CB-SG 3.44Å; Q236-C264 VanDerWaalsContact CD-SG 3.59Å; Q236-C264 WeakPolarHBondContact CG-SG 2.97Å |
| 237 | H | 93.7 | Very high | 86.5 | Confident | 69 Ų | 69 | 68 Ų | 68 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.4 | 178.4 | -56.2 | -71.9 | 0 | 0 | 0 | 110.4 | G226 F239 E260 T261 | G226-H237 PolarHBondContact N-O 2.74Å; H237-F239 HydrophobicContact CB-CE2 4.08Å; H237-F239 HydrophobicContact CB-CZ 4.02Å; H237-E260 CarbonylContact C-O 3.55Å; H237-E260 VanDerWaalsContact CA-O 3.28Å; H237-E260 WeakPolarHBondContact CA-O 3.02Å; H237-T261 VanDerWaalsContact CE1-CG2 3.49Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.28Å; H237-T261 PolarHBondContact CE1-OG1 2.94Å; H237-T261 PolarHBondContact ND1-OG1 3.43Å |
| 238 | R | 95.1 | Very high | 85.7 | Confident | 57 Ų | 57 | 67 Ų | 67 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.4 | 164.8 | 66.5 | 174.4 | -176.5 | -169.7 | -4.3 | 110.2 | W222 W225 M259 E260 | W222-R238 HydrophobicContact CD2-CG 4.3Å; W222-R238 HydrophobicContact CE3-CB 4.31Å; W222-R238 HydrophobicContact CE3-CG 3.61Å; W222-R238 HydrophobicContact CZ3-CG 3.89Å; W225-R238 HydrophobicContact CD2-CB 4.09Å; W225-R238 HydrophobicContact CD2-CG 4.21Å; W225-R238 HydrophobicContact CE3-CB 3.76Å; W225-R238 HydrophobicContact CE3-CG 3.85Å; W225-R238 HydrophobicContact CH2-CG 3.77Å; W225-R238 HydrophobicContact CZ2-CG 4.15Å; W225-R238 HydrophobicContact CZ3-CB 4.03Å; W225-R238 HydrophobicContact CZ3-CG 3.62Å; R238-M259 WeakPolarHBondContact O-CA 3.3Å; R238-E260 HydrophobicContact CG-CB 3.87Å; R238-E260 IonicContact CZ-OE1 3.46Å; R238-E260 IonicContact CZ-OE2 2.64Å; R238-E260 PolarHBondContact N-O 2.91Å; R238-E260 IonicContact NE-OE1 2.73Å; R238-E260 IonicContact NE-OE2 3.84Å; R238-E260 PolarHBondContact NE-OE2 3.17Å; R238-E260 IonicContact NH2-OE1 3.13Å; R238-E260 PolarHBondContact NH2-OE1 3.48Å; R238-E260 VanDerWaalsContact NH2-OE1 3.13Å; R238-E260 IonicContact NH2-OE2 3.91Å; R238-E260 PolarHBondContact NH2-OE2 3.42Å; R238-E260 PolarHBondContact O-N 3.13Å |
| 239 | F | 93.5 | Very high | 84.8 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.2 | -175.3 | -56.1 | -87.1 | 0 | 0 | 0 | 110.9 | K223 H237 G258 M259 | K223-F239 WeakPolarHBondContact CB-O 3.41Å; K223-F239 WeakPolarHBondContact CG-O 3.36Å; K223-F239 PolarHBondContact N-O 3.33Å; H237-F239 HydrophobicContact CB-CE2 4.08Å; H237-F239 HydrophobicContact CB-CZ 4.02Å; F239-G258 WeakPolarHBondContact CA-O 3.45Å; F239-M259 HydrophobicContact CD1-CB 4Å; F239-M259 HydrophobicContact CD1-CG 3.87Å; F239-M259 HydrophobicContact CD1-SD 4.44Å; F239-M259 HydrophobicContact CE1-CB 4.07Å; F239-M259 HydrophobicContact CE1-CG 3.53Å; F239-M259 HydrophobicContact CE1-SD 3.58Å; F239-M259 VanDerWaalsContact CE1-SD 3.58Å; F239-M259 HydrophobicContact CZ-CG 4.25Å; F239-M259 HydrophobicContact CZ-SD 4.13Å |
| 240 | R | 93.6 | Very high | 84 | Confident | 49 Ų | 49 | 67 Ų | 67 | 19% | 0.185 | 38% | 0.382 | C | S | . | . | trans | -135.7 | 150.3 | 166.3 | 58.9 | 175.1 | -178 | 179.2 | 1.5 | 109.1 | W219 W222 V257 G258 | W219-R240 HydrophobicContact CD2-CG 4.08Å; W219-R240 HydrophobicContact CE3-CB 4.18Å; W219-R240 HydrophobicContact CE3-CG 3.48Å; W219-R240 VanDerWaalsContact CE3-CG 3.48Å; W219-R240 HydrophobicContact CZ3-CG 3.82Å; W219-R240 WeakPolarHBondContact CZ3-O 3.41Å; W222-R240 HydrophobicContact CD2-CB 4.06Å; W222-R240 HydrophobicContact CD2-CG 4.08Å; W222-R240 HydrophobicContact CE3-CB 3.78Å; W222-R240 HydrophobicContact CE3-CG 3.77Å; W222-R240 HydrophobicContact CH2-CG 3.75Å; W222-R240 HydrophobicContact CZ2-CG 4.06Å; W222-R240 HydrophobicContact CZ3-CB 4.1Å; W222-R240 HydrophobicContact CZ3-CG 3.6Å; R240-V257 PolarHBondContact NE-O 2.03Å; R240-V257 PolarHBondContact NH2-O 3.38Å; R240-G258 PolarHBondContact N-O 2.98Å | ||
| 241 | F | 90.5 | Very high | 83.8 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | trans | -113.1 | 155.7 | -177.3 | -61.3 | -77.5 | 0 | 0 | 0 | 110.7 | S220 K223 D243 | S220-F241 WeakPolarHBondContact CB-O 3.4Å; S220-F241 PolarHBondContact N-O 3.44Å; S220-F241 PolarHBondContact OG-N 3.32Å; K223-F241 HydrophobicContact CG-CE2 4.49Å; F241-D243 VanDerWaalsContact C-N 3.3Å; F241-D243 HydrophobicContact CB-CB 4.45Å; F241-D243 PolarHBondContact O-N 2.93Å | ||
| 242 | C | 88.4 | Confident | 84.1 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -91.4 | 63.9 | 177.6 | -171.2 | 0 | 0 | 0 | 0 | 110 | W219 P246 P247 C254 | W219-C242 HydrophobicContact CZ3-CB 4.39Å; C242-P246 WeakPolarHBondContact O-CA 3.45Å; C242-P247 WeakPolarHBondContact O-CD 3.01Å; C242-C254 VanDerWaalsContact CA-SG 3.5Å; C242-C254 HydrophobicContact CB-CB 3.81Å; C242-C254 WeakPolarHBondContact CB-SG 3.44Å; C242-C254 WeakPolarHBondContact SG-CB 3.36Å; C242-C254 PolarHBondContact SG-N 3.43Å; C242-C254 CovalentContact SG-SG 2.03Å; C242-C254 PolarHBondContact SG-SG 3.46Å |
| 243 | D | 87.2 | Confident | 84.7 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | trans | -131.5 | 8.1 | -168.3 | 67.2 | -3 | 0 | 0 | 0 | 114.9 | R218 S220 F241 P245 P246 | R218-D243 PolarHBondContact O-N 3.29Å; S220-D243 WeakPolarHBondContact CB-OD1 3.47Å; F241-D243 VanDerWaalsContact C-N 3.3Å; F241-D243 HydrophobicContact CB-CB 4.45Å; F241-D243 PolarHBondContact O-N 2.93Å; D243-P245 VanDerWaalsContact C-C 3.41Å; D243-P246 VanDerWaalsContact O-CD 3.29Å; D243-P246 WeakPolarHBondContact O-CD 3.48Å | ||
| 244 | N | 85.9 | Confident | 85.1 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -132.3 | 68 | -176.1 | -166.8 | 26.4 | 0 | 0 | 0 | 115.2 | R218 | R218-N244 VanDerWaalsContact CB-O 3.3Å; R218-N244 WeakPolarHBondContact CB-O 3.39Å; R218-N244 PolarHBondContact O-N 3.27Å; R218-N244 VanDerWaalsContact O-N 3.15Å |
| 245 | P | 87.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 71 Ų | 71 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | S | Bend | cis | -88 | 160.8 | 2.3 | 33.9 | -33.7 | 0 | 0 | 0 | 112.4 | I215 G217 R218 D243 | I215-P245 HydrophobicContact CG2-CB 4.14Å; I215-P245 HydrophobicContact CG2-CG 3.78Å; G217-P245 CarbonylContact C-O 3.58Å; G217-P245 WeakPolarHBondContact CA-O 3.43Å; R218-P245 PolarHBondContact N-O 3.42Å; D243-P245 VanDerWaalsContact C-C 3.41Å |
| 246 | P | 82.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 72 Ų | 72 | 24% | 0.24 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 148.4 | 171.9 | 29.8 | -31.9 | 0 | 0 | 0 | 110.3 | C242 D243 R248 | C242-P246 WeakPolarHBondContact O-CA 3.45Å; D243-P246 VanDerWaalsContact O-CD 3.29Å; D243-P246 WeakPolarHBondContact O-CD 3.48Å; P246-R248 PolarHBondContact O-N 3.45Å |
| 247 | P | 81.2 | Confident | 85.1 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 126.9 | 177.7 | 23.6 | -30.3 | 0 | 0 | 0 | 110.7 | I215 C242 F253 | I215-P247 CarbonylContact O-C 3.59Å; I215-P247 WeakPolarHBondContact O-CA 3.28Å; C242-P247 WeakPolarHBondContact O-CD 3.01Å; P247-F253 HydrophobicContact CG-CD1 3.81Å; P247-F253 HydrophobicContact CG-CE1 4.01Å |
| 248 | R | 72.2 | Confident | 85 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 36% | 0.362 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -133.2 | 161.2 | 177.7 | -55.7 | -169.1 | -178.4 | -153.5 | 10.8 | 111.6 | E208 I215 P246 G250 G251 | E208-R248 IonicContact OE1-CZ 3.7Å; E208-R248 IonicContact OE1-NE 3Å; E208-R248 IonicContact OE1-NH1 2.62Å; E208-R248 PolarHBondContact OE1-NH1 3.22Å; E208-R248 WeakPolarHBondContact OE2-CD 3.47Å; E208-R248 IonicContact OE2-NH1 3.35Å; I215-R248 HydrophobicContact CB-CB 4.12Å; I215-R248 HydrophobicContact CD1-CB 4.39Å; I215-R248 PolarHBondContact N-O 3.37Å; I215-R248 PolarHBondContact O-N 3.34Å; P246-R248 PolarHBondContact O-N 3.45Å; R248-G250 VanDerWaalsContact C-N 3.27Å; R248-G250 PolarHBondContact O-N 3.12Å; R248-G251 PolarHBondContact O-N 2.86Å |
| 249 | F | 70.4 | Confident | 84.9 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 17% | 0.167 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 32.4 | 174.1 | -44.2 | -55.3 | 0 | 0 | 0 | 115.4 | E208 L209 K210 T211 I215 G251 | E208-F249 HydrophobicContact CB-CD1 4.29Å; E208-F249 HydrophobicContact CB-CE1 3.55Å; E208-F249 HydrophobicContact CB-CZ 4.4Å; L209-F249 WeakPolarHBondContact O-CD1 3.27Å; L209-F249 WeakPolarHBondContact O-CE1 3.09Å; L209-F249 VanDerWaalsContact O-CZ 3.27Å; L209-F249 WeakPolarHBondContact O-CZ 3.46Å; K210-F249 HydrophobicContact CG-CB 4.35Å; T211-F249 WeakPolarHBondContact OG1-CD2 2.82Å; T211-F249 WeakPolarHBondContact OG1-CE2 3.49Å; I215-F249 HydrophobicContact CD1-CD2 3.91Å; I215-F249 HydrophobicContact CD1-CE2 3.58Å; I215-F249 HydrophobicContact CG1-CD2 3.93Å; I215-F249 HydrophobicContact CG1-CE2 4.14Å; F249-G251 VanDerWaalsContact C-N 3.34Å |
| 250 | G | 69.7 | Low | 84.9 | Confident | 80 Ų | 80 | 73 Ų | 73 | 83% | 0.825 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 15.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R248 | R248-G250 VanDerWaalsContact C-N 3.27Å; R248-G250 PolarHBondContact O-N 3.12Å |
| 251 | G | 74.8 | Confident | 84.8 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 8% | 0.082 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I215 R248 F249 | I215-G251 WeakPolarHBondContact O-CA 3.49Å; R248-G251 PolarHBondContact O-N 2.86Å; F249-G251 VanDerWaalsContact C-N 3.34Å |
| 252 | R | 79.6 | Confident | 84.9 | Confident | 168 Ų | 168 | 71 Ų | 71 | 63% | 0.634 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 141.3 | 172.5 | -61.5 | -178.1 | -119.3 | -168.9 | -2 | 112.3 | H216 G217 | H216-R252 PolarHBondContact ND1-N 3.41Å; H216-R252 VanDerWaalsContact ND1-N 3.13Å; G217-R252 PolarHBondContact N-O 3.11Å |
| 253 | F | 84.1 | Confident | 84.9 | Confident | 137 Ų | 137 | 79 Ų | 79 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 160.7 | 169 | -70.2 | -83.1 | 0 | 0 | 0 | 110.9 | P247 E255 | P247-F253 HydrophobicContact CG-CD1 3.81Å; P247-F253 HydrophobicContact CG-CE1 4.01Å; F253-E255 PolarHBondContact O-N 3.3Å |
| 254 | C | 89.5 | Confident | 84.8 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 129.4 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | R218 W219 C242 | R218-C254 VanDerWaalsContact CA-SG 3.59Å; R218-C254 PolarHBondContact N-SG 2.72Å; W219-C254 HydrophobicContact CD2-CB 3.79Å; W219-C254 HydrophobicContact CE3-CB 4.31Å; W219-C254 HydrophobicContact CG-CB 4.25Å; W219-C254 HydrophobicContact CH2-CB 4.15Å; W219-C254 HydrophobicContact CZ2-CB 3.6Å; W219-C254 HydrophobicContact CZ3-CB 4.48Å; C242-C254 VanDerWaalsContact CA-SG 3.5Å; C242-C254 HydrophobicContact CB-CB 3.81Å; C242-C254 WeakPolarHBondContact CB-SG 3.44Å; C242-C254 WeakPolarHBondContact SG-CB 3.36Å; C242-C254 PolarHBondContact SG-N 3.43Å; C242-C254 CovalentContact SG-SG 2.03Å; C242-C254 PolarHBondContact SG-SG 3.46Å |
| 255 | E | 89.2 | Confident | 84 | Confident | 157 Ų | 157 | 78 Ų | 78 | 73% | 0.734 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -86 | 136.2 | 174.8 | -68.4 | 176.3 | -173.5 | 0 | 0 | 110.3 | W219 F253 | W219-E255 PolarHBondContact NE1-O 3.07Å; F253-E255 PolarHBondContact O-N 3.3Å |
| 256 | G | 90.6 | Very high | 82.7 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 64% | 0.639 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 112.9 | -175.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | W219 | W219-G256 WeakPolarHBondContact CZ2-O 3.4Š|
| 257 | V | 89.5 | Confident | 81.5 | Confident | 95 Ų | 95 | 79.3 Ų | 79.3 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | trans | -83.3 | 136.3 | -177.2 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | R240 | R240-V257 PolarHBondContact NE-O 2.03Å; R240-V257 PolarHBondContact NH2-O 3.38Å | ||
| 258 | G | 90.3 | Very high | 80.5 | Confident | 27 Ų | 27 | 81 Ų | 81 | 28% | 0.278 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -90 | -13.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F239 R240 | F239-G258 WeakPolarHBondContact CA-O 3.45Å; R240-G258 PolarHBondContact N-O 2.98Å |
| 259 | M | 93.9 | Very high | 79.7 | Confident | 95 Ų | 95 | 85.5 Ų | 85.5 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.3 | 179 | -176.9 | -177.9 | 79.2 | 0 | 0 | 109 | R238 F239 | R238-M259 WeakPolarHBondContact O-CA 3.3Å; F239-M259 HydrophobicContact CD1-CB 4Å; F239-M259 HydrophobicContact CD1-CG 3.87Å; F239-M259 HydrophobicContact CD1-SD 4.44Å; F239-M259 HydrophobicContact CE1-CB 4.07Å; F239-M259 HydrophobicContact CE1-CG 3.53Å; F239-M259 HydrophobicContact CE1-SD 3.58Å; F239-M259 VanDerWaalsContact CE1-SD 3.58Å; F239-M259 HydrophobicContact CZ-CG 4.25Å; F239-M259 HydrophobicContact CZ-SD 4.13Å |
| 260 | E | 92.9 | Very high | 78.8 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143 | 173.5 | -174.6 | 177.4 | 168.5 | 0 | 0 | 109.7 | W222 W225 H237 R238 | W222-E260 HydrophobicContact CH2-CB 3.72Å; W222-E260 HydrophobicContact CZ2-CB 4.44Å; W222-E260 WeakPolarHBondContact CZ2-OE2 2.85Å; W222-E260 HydrophobicContact CZ3-CB 3.93Å; W225-E260 HydrophobicContact CH2-CG 4.13Å; H237-E260 CarbonylContact C-O 3.55Å; H237-E260 VanDerWaalsContact CA-O 3.28Å; H237-E260 WeakPolarHBondContact CA-O 3.02Å; R238-E260 HydrophobicContact CG-CB 3.87Å; R238-E260 IonicContact CZ-OE1 3.46Å; R238-E260 IonicContact CZ-OE2 2.64Å; R238-E260 PolarHBondContact N-O 2.91Å; R238-E260 IonicContact NE-OE1 2.73Å; R238-E260 IonicContact NE-OE2 3.84Å; R238-E260 PolarHBondContact NE-OE2 3.17Å; R238-E260 IonicContact NH2-OE1 3.13Å; R238-E260 PolarHBondContact NH2-OE1 3.48Å; R238-E260 VanDerWaalsContact NH2-OE1 3.13Å; R238-E260 IonicContact NH2-OE2 3.91Å; R238-E260 PolarHBondContact NH2-OE2 3.42Å; R238-E260 PolarHBondContact O-N 3.13Å |
| 261 | T | 92.4 | Very high | 77.6 | Confident | 72 Ų | 72 | 93.1 Ų | 93.1 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.1 | -178.1 | -54.1 | 0 | 0 | 0 | 0 | 108.4 | V235 Q236 H237 | V235-T261 HydrophobicContact CB-CG2 3.83Å; V235-T261 HydrophobicContact CG1-CG2 4.14Å; V235-T261 HydrophobicContact CG2-CG2 4.3Å; Q236-T261 CarbonylContact O-C 3.6Å; Q236-T261 WeakPolarHBondContact O-CA 3.45Å; H237-T261 VanDerWaalsContact CE1-CG2 3.49Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.28Å; H237-T261 PolarHBondContact CE1-OG1 2.94Å; H237-T261 PolarHBondContact ND1-OG1 3.43Å |
| 262 | A | 91.2 | Very high | 76.2 | Confident | 27 Ų | 27 | 98.6 Ų | 98.6 | 22% | 0.223 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 151.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | W225 V235 Q236 | W225-A262 HydrophobicContact CE3-CB 4.33Å; W225-A262 HydrophobicContact CH2-CB 3.33Å; W225-A262 HydrophobicContact CZ2-CB 3.97Å; W225-A262 HydrophobicContact CZ3-CB 3.54Å; V235-A262 CarbonylContact C-O 3.52Å; V235-A262 VanDerWaalsContact CA-O 3.27Å; V235-A262 WeakPolarHBondContact CA-O 3.32Å; Q236-A262 HydrophobicContact CG-CB 4.12Å; Q236-A262 WeakPolarHBondContact CG-O 3.06Å; Q236-A262 PolarHBondContact N-O 3.24Å; Q236-A262 PolarHBondContact O-N 3.39Å |
| 263 | R | 88.1 | Confident | 74.3 | Confident | 206 Ų | 206 | 93.4 Ų | 93.4 | 78% | 0.777 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 141.1 | 170.2 | -70.2 | -177.4 | -177.5 | 152.5 | 0.3 | 109.8 | A234 V235 | A234-R263 WeakPolarHBondContact O-CA 3.33Å; V235-R263 HydrophobicContact CG1-CG 4.43Å |
| 264 | C | 85.4 | Confident | 72.5 | Confident | 12 Ų | 12 | 93.7 Ų | 93.7 | 8% | 0.081 | 51% | 0.51 | C | S | . | . | trans | -96.3 | 152.5 | 168.7 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | C228 A234 Q236 S266 | C228-C264 VanDerWaalsContact CA-SG 3.53Å; C228-C264 HydrophobicContact CB-CB 3.54Å; C228-C264 WeakPolarHBondContact CB-SG 3.41Å; C228-C264 WeakPolarHBondContact SG-CB 3.35Å; C228-C264 CovalentContact SG-SG 2.02Å; C228-C264 PolarHBondContact SG-SG 3.31Å; A234-C264 HydrophobicContact CB-CB 3.72Å; A234-C264 PolarHBondContact O-N 2.78Å; Q236-C264 WeakPolarHBondContact CB-SG 3.44Å; Q236-C264 VanDerWaalsContact CD-SG 3.59Å; Q236-C264 WeakPolarHBondContact CG-SG 2.97Å; C264-S266 VanDerWaalsContact C-N 3.31Å; C264-S266 PolarHBondContact O-N 3.46Å | ||
| 265 | N | 70.1 | Confident | 70.5 | Confident | 155 Ų | 155 | 95.6 Ų | 95.6 | 83% | 0.829 | 52% | 0.524 | S | S | * | . | trans | -71 | 89.2 | 178.1 | -157.7 | 16.3 | 0 | 0 | 0 | 110 | ||||
| 266 | S | 60 | Low | 68.4 | Low | 37 Ų | 37 | 94.3 Ų | 94.3 | 26% | 0.259 | 52% | 0.518 | S | S | . | . | trans | -93.8 | 84.7 | 163.4 | 59.3 | 0 | 0 | 0 | 0 | 106.9 | G231 N233 A234 C264 C268 | G231-S266 WeakPolarHBondContact O-CB 3.49Å; N233-S266 WeakPolarHBondContact CA-OG 3.36Å; N233-S266 PolarHBondContact N-OG 2.95Å; A234-S266 PolarHBondContact N-OG 2.87Å; C264-S266 VanDerWaalsContact C-N 3.31Å; C264-S266 PolarHBondContact O-N 3.46Å; S266-C268 PolarHBondContact O-N 2.93Å | ||
| 267 | S | 57.5 | Low | 65.9 | Low | 78 Ų | 78 | 98.4 Ų | 98.4 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | trans | -61.9 | 78.9 | 157.5 | -45.7 | 0 | 0 | 0 | 0 | 106.9 | H269 | S267-H269 PolarHBondContact O-N 3.44Š| ||
| 268 | C | 59.2 | Low | 63.2 | Low | 62 Ų | 62 | 100.8 Ų | 100.8 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | trans | -63.3 | 103.2 | 155.9 | -71.3 | 0 | 0 | 0 | 0 | 103.6 | C232 S266 G270 | C232-C268 WeakPolarHBondContact CA-SG 3.49Å; C232-C268 HydrophobicContact CB-CB 4.15Å; C232-C268 WeakPolarHBondContact CB-SG 3.27Å; C232-C268 WeakPolarHBondContact SG-CB 3.46Å; C232-C268 CovalentContact SG-SG 2.02Å; C232-C268 PolarHBondContact SG-SG 3.41Å; S266-C268 PolarHBondContact O-N 2.93Å; C268-G270 PolarHBondContact O-N 2.85Å | ||
| 269 | H | 55.8 | Low | 60.4 | Low | 189 Ų | 189 | 105.6 Ų | 105.6 | 88% | 0.875 | 54% | 0.54 | S | S | * | . | trans | -65.1 | 60.9 | 163.3 | -93.5 | -82.5 | 0 | 0 | 0 | 107.9 | S267 R271 | S267-H269 PolarHBondContact O-N 3.44Å; H269-R271 VanDerWaalsContact C-N 3.35Å | ||
| 270 | G | 51.2 | Low | 57.4 | Low | 53 Ų | 53 | 105.7 Ų | 105.7 | 55% | 0.546 | 55% | 0.55 | S | S | . | * | trans | -101 | 66.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | C268 L272 | C268-G270 PolarHBondContact O-N 2.85Å; G270-L272 PolarHBondContact O-N 3.47Å | ||
| 271 | R | 44.7 | Very low | 54.5 | Low | 225 Ų | 225 | 106.7 Ų | 106.7 | 85% | 0.849 | 57% | 0.565 | S | S | * | * | trans | -65.5 | 75.6 | 138 | -125.6 | -173.4 | -170.5 | 161.6 | 1.3 | 104.4 | H269 N273 | H269-R271 VanDerWaalsContact C-N 3.35Å; R271-N273 PolarHBondContact O-N 2.93Å | ||
| 272 | L | 45.1 | Very low | 51.6 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 64% | 0.644 | 58% | 0.578 | S | S | * | * | trans | -70.2 | 90.6 | 151 | -68.5 | 176.7 | 0 | 0 | 0 | 102.3 | G270 L274 F277 | G270-L272 PolarHBondContact O-N 3.47Å; L272-L274 PolarHBondContact O-N 2.9Å; L272-F277 HydrophobicContact CD2-CD2 4.12Å; L272-F277 HydrophobicContact CD2-CE2 3.97Å | ||
| 273 | N | 39.2 | Very low | 48.8 | Very low | 60 Ų | 60 | 118.3 Ų | 118.3 | 32% | 0.321 | 61% | 0.609 | S | S | . | * | trans | -53.9 | 102.6 | 158.1 | -115.4 | -22.3 | 0 | 0 | 0 | 104.3 | R271 S275 E276 F277 | R271-N273 PolarHBondContact O-N 2.93Å; N273-S275 VanDerWaalsContact CG-OG 3.28Å; N273-S275 PolarHBondContact O-N 2.84Å; N273-S275 PolarHBondContact OD1-OG 3.43Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å; N273-E276 HydrophobicContact CB-CB 3.76Å; N273-E276 HydrophobicContact CB-CG 3.92Å; N273-E276 WeakPolarHBondContact CB-OE2 3.48Å; N273-E276 PolarHBondContact ND2-OE2 2.95Å; N273-E276 PolarHBondContact O-N 2.91Å; N273-F277 PolarHBondContact O-N 2.8Å | ||
| 274 | L | 47 | Very low | 45.9 | Very low | 142 Ų | 142 | 113.6 Ų | 113.6 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -2.5 | 168.2 | -100.9 | 151.2 | 0 | 0 | 0 | 111.2 | L272 F278 | L272-L274 PolarHBondContact O-N 2.9Å; L274-F278 HydrophobicContact CD2-CE2 4.32Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å |
| 275 | S | 47.6 | Very low | 43.1 | Very low | 63 Ų | 63 | 121.8 Ų | 121.8 | 44% | 0.441 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -25.2 | 166.4 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | N273 L279 | N273-S275 VanDerWaalsContact CG-OG 3.28Å; N273-S275 PolarHBondContact O-N 2.84Å; N273-S275 PolarHBondContact OD1-OG 3.43Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å; S275-L279 WeakPolarHBondContact O-CD1 3.48Å |
| 276 | E | 45.9 | Very low | 41.1 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -20.7 | -176.9 | -79.3 | 174.4 | 150.6 | 0 | 0 | 113.4 | N273 | N273-E276 HydrophobicContact CB-CB 3.76Å; N273-E276 HydrophobicContact CB-CG 3.92Å; N273-E276 WeakPolarHBondContact CB-OE2 3.48Å; N273-E276 PolarHBondContact ND2-OE2 2.95Å; N273-E276 PolarHBondContact O-N 2.91Å |
| 277 | F | 37.2 | Very low | 39.7 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -77.8 | -20.9 | 170.9 | -114.3 | -87.6 | 0 | 0 | 0 | 113.2 | L272 N273 | L272-F277 HydrophobicContact CD2-CD2 4.12Å; L272-F277 HydrophobicContact CD2-CE2 3.97Å; N273-F277 PolarHBondContact O-N 2.8Å |
| 278 | F | 32.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 63% | 0.632 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -85.5 | -17 | 174.8 | -87.3 | -85.1 | 0 | 0 | 0 | 113.4 | L274 | L274-F278 HydrophobicContact CD2-CE2 4.32Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å |
| 279 | L | 31.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -0.7 | -178.3 | -83.3 | 162.2 | 0 | 0 | 0 | 114.4 | S275 | S275-L279 WeakPolarHBondContact O-CD1 3.48Š|
| 280 | S | 31 | Very low | 35.8 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 9.8 | 172.6 | 65.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 281 | S | 33.2 | Very low | 35.2 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -119.5 | 6.2 | 175.6 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 282 | E | 29.7 | Very low | 35.3 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.8 | 5.7 | 178.3 | -77.4 | -168.8 | 162.6 | 0 | 0 | 115.2 | ||
| 283 | H | 33.6 | Very low | 35.4 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -119.8 | 77 | 174 | -98.6 | -139.1 | 0 | 0 | 0 | 111.2 | ||
| 284 | S | 27.8 | Very low | 35.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 161.5 | 65.8 | 130.1 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 285 | M | 25.4 | Very low | 35.5 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 91% | 0.906 | 70% | 0.699 | S | S | * | * | trans | -141.9 | 67.1 | 156 | -75.2 | -165.8 | 80.4 | 0 | 0 | 110.4 | ||||
| 286 | T | 28.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | -82.6 | 128.6 | 147.2 | 51.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 287 | T | 29.6 | Very low | 36 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 65 | 99.1 | 161.8 | 69.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 288 | S | 29.8 | Very low | 36.6 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | 173.4 | 139.7 | 104.5 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 289 | H | 33 | Very low | 37.4 | Very low | 182 Ų | 182 | 128 Ų | 128 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | trans | -42.4 | 135.8 | 166 | -84.8 | -112.6 | 0 | 0 | 0 | 112.7 | ||||
| 290 | E | 29.7 | Very low | 38.6 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | trans | 134.1 | 119 | 152.1 | -77.4 | 174 | 173.3 | 0 | 0 | 112.3 | ||||
| 291 | A | 37.2 | Very low | 39.6 | Very low | 54 Ų | 54 | 128.7 Ų | 128.7 | 45% | 0.446 | 69% | 0.687 | S | S | . | * | trans | 140.1 | 94.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 114 | A293 Y294 | A291-A293 PolarHBondContact O-N 3.36Å; A291-Y294 HydrophobicContact CB-CD2 4.12Å; A291-Y294 HydrophobicContact CB-CE2 4.23Å | ||
| 292 | P | 47 | Very low | 40.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 20.3 | 162.6 | 30.1 | -33.8 | 0 | 0 | 0 | 114 | ||
| 293 | A | 47 | Very low | 41.5 | Very low | 56 Ų | 56 | 128.1 Ų | 128.1 | 46% | 0.463 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | -19.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A291 | A291-A293 PolarHBondContact O-N 3.36Š|
| 294 | Y | 45.1 | Very low | 42.3 | Very low | 186 Ų | 186 | 126 Ų | 126 | 73% | 0.729 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.3 | -23.1 | -175.5 | -76.6 | -78.9 | 0 | 0 | 0 | 114.2 | A291 | A291-Y294 HydrophobicContact CB-CD2 4.12Å; A291-Y294 HydrophobicContact CB-CE2 4.23Å |
| 295 | C | 44.6 | Very low | 43.5 | Very low | 87 Ų | 87 | 124 Ų | 124 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70 | -38.6 | 177.9 | -149.7 | 0 | 0 | 0 | 0 | 111.5 | I297 F298 F299 | C295-I297 PolarHBondContact O-N 3.25Å; C295-F298 PolarHBondContact O-N 3.48Å; C295-F299 WeakPolarHBondContact O-CD2 3.31Å; C295-F299 PolarHBondContact O-N 3.11Å |
| 296 | L | 47.5 | Very low | 44.5 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.8 | -35.9 | 179.4 | -101.9 | 150.6 | 0 | 0 | 0 | 113.4 | I300 | L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3Å; L296-I300 PolarHBondContact O-N 3.42Å |
| 297 | I | 54.9 | Low | 45.6 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.7 | -33.5 | -177.1 | -62.9 | 172.6 | 0 | 0 | 0 | 111.6 | C295 K301 | C295-I297 PolarHBondContact O-N 3.25Å; I297-K301 PolarHBondContact O-N 3.27Å |
| 298 | F | 49.8 | Very low | 46.4 | Very low | 153 Ų | 153 | 114 Ų | 114 | 67% | 0.671 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.4 | -36.7 | 177.7 | -143 | -92.5 | 0 | 0 | 0 | 111.9 | C295 L302 | C295-F298 PolarHBondContact O-N 3.48Å; F298-L302 HydrophobicContact CD1-CD1 4.29Å; F298-L302 PolarHBondContact O-N 3.09Å |
| 299 | F | 50.8 | Low | 47.1 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 52% | 0.522 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.1 | -39.1 | 175.1 | -91.1 | -84.9 | 0 | 0 | 0 | 113.1 | C295 K301 L302 F303 | C295-F299 WeakPolarHBondContact O-CD2 3.31Å; C295-F299 PolarHBondContact O-N 3.11Å; F299-K301 PolarHBondContact O-N 3.36Å; F299-L302 PolarHBondContact O-N 3.17Å; F299-F303 PolarHBondContact O-N 3.35Å |
| 300 | I | 54.9 | Low | 47.3 | Very low | 85 Ų | 85 | 110.7 Ų | 110.7 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66 | -38.3 | 179 | -67.8 | 167.5 | 0 | 0 | 0 | 111.3 | L296 L302 F303 F304 | L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3Å; L296-I300 PolarHBondContact O-N 3.42Å; I300-L302 PolarHBondContact O-N 3.4Å; I300-F303 PolarHBondContact O-N 3.01Å; I300-F304 HydrophobicContact CG2-CD2 3.69Å; I300-F304 HydrophobicContact CG2-CE2 3.59Å; I300-F304 VanDerWaalsContact O-CD2 3.3Å; I300-F304 WeakPolarHBondContact O-CD2 3.1Å; I300-F304 PolarHBondContact O-N 2.8Å; I300-F304 VanDerWaalsContact O-N 3.11Å |
| 301 | K | 52.3 | Low | 47.8 | Very low | 157 Ų | 157 | 106.8 Ų | 106.8 | 68% | 0.683 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -36.5 | 176.8 | -87.3 | -178.3 | 173.4 | 178.4 | 0 | 113.1 | I297 F299 S305 | I297-K301 PolarHBondContact O-N 3.27Å; F299-K301 PolarHBondContact O-N 3.36Å; K301-S305 PolarHBondContact O-N 3.08Å |
| 302 | L | 51.6 | Low | 48 | Very low | 102 Ų | 102 | 114.8 Ų | 114.8 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.9 | -34.4 | 175.9 | -73.7 | 166.8 | 0 | 0 | 0 | 112.2 | F298 F299 I300 S305 S306 | F298-L302 HydrophobicContact CD1-CD1 4.29Å; F298-L302 PolarHBondContact O-N 3.09Å; F299-L302 PolarHBondContact O-N 3.17Å; I300-L302 PolarHBondContact O-N 3.4Å; L302-S305 PolarHBondContact O-N 2.85Å; L302-S305 PolarHBondContact O-OG 2.75Å; L302-S306 PolarHBondContact O-N 2.64Å; L302-S306 PolarHBondContact O-OG 2.9Å |
| 303 | F | 50.5 | Low | 47.4 | Very low | 127 Ų | 127 | 114.5 Ų | 114.5 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -42 | 175.5 | -156.5 | -101.6 | 0 | 0 | 0 | 112.6 | F299 I300 S306 I307 | F299-F303 PolarHBondContact O-N 3.35Å; I300-F303 PolarHBondContact O-N 3.01Å; F303-S306 PolarHBondContact O-N 2.02Å; F303-S306 PolarHBondContact O-OG 2.78Å; F303-S306 VanDerWaalsContact O-OG 3.12Å; F303-I307 HydrophobicContact CD1-CD1 3.55Å; F303-I307 HydrophobicContact CE1-CD1 3.55Å; F303-I307 HydrophobicContact CZ-CD1 4.49Å; F303-I307 WeakPolarHBondContact O-CG1 3.43Å; F303-I307 PolarHBondContact O-N 2.82Å |
| 304 | F | 51.4 | Low | 46.9 | Very low | 144 Ų | 144 | 120 Ų | 120 | 63% | 0.632 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.8 | -29.3 | 177.6 | -81.4 | -73.3 | 0 | 0 | 0 | 113.7 | I300 | I300-F304 HydrophobicContact CG2-CD2 3.69Å; I300-F304 HydrophobicContact CG2-CE2 3.59Å; I300-F304 VanDerWaalsContact O-CD2 3.3Å; I300-F304 WeakPolarHBondContact O-CD2 3.1Å; I300-F304 PolarHBondContact O-N 2.8Å; I300-F304 VanDerWaalsContact O-N 3.11Å |
| 305 | S | 52.1 | Low | 46.6 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.6 | -30.3 | 176.5 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | K301 L302 | K301-S305 PolarHBondContact O-N 3.08Å; L302-S305 PolarHBondContact O-N 2.85Å; L302-S305 PolarHBondContact O-OG 2.75Å |
| 306 | S | 48.2 | Very low | 46.3 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -85.8 | -27.6 | -178 | 41.9 | 0 | 0 | 0 | 0 | 113 | L302 F303 S308 I309 | L302-S306 PolarHBondContact O-N 2.64Å; L302-S306 PolarHBondContact O-OG 2.9Å; F303-S306 PolarHBondContact O-N 2.02Å; F303-S306 PolarHBondContact O-OG 2.78Å; F303-S306 VanDerWaalsContact O-OG 3.12Å; S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.44Å; S306-I309 PolarHBondContact O-N 3.32Å |
| 307 | I | 51.2 | Low | 45.9 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 42% | 0.421 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.2 | -32.2 | 171.7 | -69.7 | 166.7 | 0 | 0 | 0 | 111.7 | F303 I309 C310 | F303-I307 HydrophobicContact CD1-CD1 3.55Å; F303-I307 HydrophobicContact CE1-CD1 3.55Å; F303-I307 HydrophobicContact CZ-CD1 4.49Å; F303-I307 WeakPolarHBondContact O-CG1 3.43Å; F303-I307 PolarHBondContact O-N 2.82Å; I307-I309 VanDerWaalsContact C-N 3.26Å; I307-I309 PolarHBondContact O-N 3.46Å; I307-C310 PolarHBondContact O-N 2.02Å |
| 308 | S | 44.9 | Very low | 45.4 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 60% | 0.601 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -22.3 | -179.6 | -136.7 | 0 | 0 | 0 | 0 | 113.7 | S306 T311 | S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.44Å; S308-T311 PolarHBondContact O-OG1 2.87Å |
| 309 | I | 44.9 | Very low | 45.2 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 71% | 0.713 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -24.3 | 178.9 | -62.1 | 169.7 | 0 | 0 | 0 | 111.3 | S306 I307 | S306-I309 PolarHBondContact O-N 3.32Å; I307-I309 VanDerWaalsContact C-N 3.26Å; I307-I309 PolarHBondContact O-N 3.46Å |
| 310 | C | 37.4 | Very low | 44.7 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 54% | 0.541 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | -8.9 | -176.5 | -69.1 | 0 | 0 | 0 | 0 | 114.5 | I307 | I307-C310 PolarHBondContact O-N 2.02Š|
| 311 | T | 40 | Very low | 44.6 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 0.7 | -173.4 | 52.8 | 0 | 0 | 0 | 0 | 114.9 | S308 | S308-T311 PolarHBondContact O-OG1 2.87Š|
| 312 | Y | 42 | Very low | 44.4 | Very low | 222 Ų | 222 | 112.1 Ų | 112.1 | 87% | 0.871 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -97.8 | -6.7 | -176.6 | -153.6 | -97.7 | 0 | 0 | 0 | 115.4 | ||
| 313 | D | 34.5 | Very low | 44 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | trans | -125.8 | 96.7 | 179.4 | -150.9 | -19.5 | 0 | 0 | 0 | 111.3 | S315 | D313-S315 PolarHBondContact O-N 3.35Å; D313-S315 PolarHBondContact OD1-OG 3.45Å | ||
| 314 | N | 36.9 | Very low | 43.8 | Very low | 172 Ų | 172 | 113.2 Ų | 113.2 | 92% | 0.92 | 62% | 0.615 | S | S | * | * | trans | -80.6 | 32.5 | -174.2 | -136.8 | -2.3 | 0 | 0 | 0 | 112.5 | ||||
| 315 | S | 37.9 | Very low | 43.8 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -142.5 | 110.9 | 179.8 | 74 | 0 | 0 | 0 | 0 | 112.2 | D313 | D313-S315 PolarHBondContact O-N 3.35Å; D313-S315 PolarHBondContact OD1-OG 3.45Å |
| 316 | R | 37.7 | Very low | 43.7 | Very low | 223 Ų | 223 | 115.2 Ų | 115.2 | 84% | 0.842 | 62% | 0.62 | S | S | * | * | trans | 91 | 78.1 | 175.7 | -53.3 | -179.5 | 178.9 | -165.6 | -0.1 | 116.3 | V318 | R316-V318 PolarHBondContact O-N 3.29Š| ||
| 317 | T | 40.1 | Very low | 43.7 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 10.2 | -173.4 | 43.4 | 0 | 0 | 0 | 0 | 117.3 | I321 | T317-I321 WeakPolarHBondContact O-CD1 3.48Š|
| 318 | V | 44 | Very low | 43.2 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -23.8 | -177 | -174 | 0 | 0 | 0 | 0 | 113.8 | R316 | R316-V318 PolarHBondContact O-N 3.29Š|
| 319 | S | 44.9 | Very low | 43.2 | Very low | 81 Ų | 81 | 123 Ų | 123 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -90.2 | -26.2 | -179.1 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 320 | A | 42.1 | Very low | 43.2 | Very low | 55 Ų | 55 | 124.1 Ų | 124.1 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.8 | -35.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S322 Y323 C324 | A320-S322 VanDerWaalsContact C-N 3.3Å; A320-S322 PolarHBondContact O-N 3.33Å; A320-Y323 PolarHBondContact O-N 2.9Å; A320-C324 PolarHBondContact O-N 3.38Å |
| 321 | I | 50.8 | Low | 43.6 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 55% | 0.554 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.9 | -34.2 | -179.7 | -62.3 | 172.6 | 0 | 0 | 0 | 111.4 | T317 C324 L325 | T317-I321 WeakPolarHBondContact O-CD1 3.48Å; I321-C324 PolarHBondContact O-N 3.34Å; I321-L325 HydrophobicContact CG2-CD1 3.91Å; I321-L325 PolarHBondContact O-N 2.91Å; I321-L325 VanDerWaalsContact O-N 3.09Å |
| 322 | S | 48.3 | Very low | 43.9 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.9 | -35.5 | 178 | -174.6 | 0 | 0 | 0 | 0 | 113 | A320 K326 | A320-S322 VanDerWaalsContact C-N 3.3Å; A320-S322 PolarHBondContact O-N 3.33Å; S322-K326 WeakPolarHBondContact O-CG 3.43Å; S322-K326 PolarHBondContact O-N 3.27Å; S322-K326 VanDerWaalsContact O-N 3.08Å |
| 323 | Y | 44.9 | Very low | 44.1 | Very low | 181 Ų | 181 | 119 Ų | 119 | 71% | 0.71 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.6 | -39.3 | 176.5 | -92.8 | -86.1 | 0 | 0 | 0 | 111.8 | A320 K326 F327 | A320-Y323 PolarHBondContact O-N 2.9Å; Y323-K326 PolarHBondContact O-N 3.16Å; Y323-F327 PolarHBondContact O-N 3.35Å; Y323-F327 VanDerWaalsContact O-N 3.11Å |
| 324 | C | 45.2 | Very low | 44.4 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 49% | 0.486 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.1 | -41.7 | 174.7 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | A320 I321 F327 Y328 | A320-C324 PolarHBondContact O-N 3.38Å; I321-C324 PolarHBondContact O-N 3.34Å; C324-F327 PolarHBondContact O-N 3.13Å; C324-Y328 PolarHBondContact O-N 2.83Å |
| 325 | L | 51.6 | Low | 44.5 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 59% | 0.586 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.2 | -38.3 | 176.6 | -85.9 | 155.3 | 0 | 0 | 0 | 112.8 | I321 Y328 T329 | I321-L325 HydrophobicContact CG2-CD1 3.91Å; I321-L325 PolarHBondContact O-N 2.91Å; I321-L325 VanDerWaalsContact O-N 3.09Å; L325-Y328 PolarHBondContact O-N 2.92Å; L325-T329 PolarHBondContact O-N 2.75Å; L325-T329 VanDerWaalsContact O-N 3.16Å; L325-T329 PolarHBondContact O-OG1 2.7Å |
| 326 | K | 49.4 | Very low | 44.8 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.5 | -35.4 | 176 | -80.5 | 179.1 | 177.4 | 179.9 | 0 | 113 | S322 Y323 Y328 T329 F330 | S322-K326 WeakPolarHBondContact O-CG 3.43Å; S322-K326 PolarHBondContact O-N 3.27Å; S322-K326 VanDerWaalsContact O-N 3.08Å; Y323-K326 PolarHBondContact O-N 3.16Å; K326-Y328 VanDerWaalsContact C-N 3.34Å; K326-T329 WeakPolarHBondContact CA-OG1 3.35Å; K326-T329 PolarHBondContact O-OG1 2.88Å; K326-F330 PolarHBondContact O-N 3.39Å |
| 327 | F | 48.3 | Very low | 45.2 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 67% | 0.667 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.7 | -38.6 | 174.2 | -122.6 | -89.1 | 0 | 0 | 0 | 111.8 | Y323 C324 F330 I331 | Y323-F327 PolarHBondContact O-N 3.35Å; Y323-F327 VanDerWaalsContact O-N 3.11Å; C324-F327 PolarHBondContact O-N 3.13Å; F327-F330 PolarHBondContact O-N 3.21Å; F327-I331 HydrophobicContact CD1-CD1 4.28Å; F327-I331 PolarHBondContact O-N 3.28Å |
| 328 | Y | 40.4 | Very low | 45.4 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 59% | 0.592 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 177.4 | -163.2 | -98.1 | 0 | 0 | 0 | 112.2 | C324 L325 K326 F330 I331 V332 | C324-Y328 PolarHBondContact O-N 2.83Å; L325-Y328 PolarHBondContact O-N 2.92Å; K326-Y328 VanDerWaalsContact C-N 3.34Å; Y328-F330 VanDerWaalsContact C-N 3.29Å; Y328-F330 PolarHBondContact O-N 2.99Å; Y328-I331 PolarHBondContact O-N 2.86Å; Y328-V332 HydrophobicContact CD1-CG2 4.33Å; Y328-V332 HydrophobicContact CE1-CG2 4.1Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 2.88Å |
| 329 | T | 46.3 | Very low | 45.5 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -27 | 176.9 | 41.1 | 0 | 0 | 0 | 0 | 114.1 | L325 K326 V333 | L325-T329 PolarHBondContact O-N 2.75Å; L325-T329 VanDerWaalsContact O-N 3.16Å; L325-T329 PolarHBondContact O-OG1 2.7Å; K326-T329 WeakPolarHBondContact CA-OG1 3.35Å; K326-T329 PolarHBondContact O-OG1 2.88Å; T329-V333 WeakPolarHBondContact O-CG2 3.34Å |
| 330 | F | 44.9 | Very low | 45.6 | Very low | 162 Ų | 162 | 116 Ų | 116 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.8 | -31.7 | 180 | -149.4 | -92.7 | 0 | 0 | 0 | 112.3 | K326 F327 Y328 S334 | K326-F330 PolarHBondContact O-N 3.39Å; F327-F330 PolarHBondContact O-N 3.21Å; Y328-F330 VanDerWaalsContact C-N 3.29Å; Y328-F330 PolarHBondContact O-N 2.99Å; F330-S334 PolarHBondContact O-OG 3.13Å |
| 331 | I | 44.5 | Very low | 45.8 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 45% | 0.446 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -79.7 | -35.2 | -177.9 | -63.9 | 171.4 | 0 | 0 | 0 | 111.4 | F327 Y328 V333 S334 | F327-I331 HydrophobicContact CD1-CD1 4.28Å; F327-I331 PolarHBondContact O-N 3.28Å; Y328-I331 PolarHBondContact O-N 2.86Å; I331-V333 PolarHBondContact O-N 2.99Å; I331-S334 PolarHBondContact O-N 3.35Å |
| 332 | V | 47.6 | Very low | 45.4 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.3 | -21.5 | 178.4 | 175.5 | 0 | 0 | 0 | 0 | 113.1 | Y328 S334 | Y328-V332 HydrophobicContact CD1-CG2 4.33Å; Y328-V332 HydrophobicContact CE1-CG2 4.1Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 2.88Å; V332-S334 VanDerWaalsContact C-N 3.34Å |
| 333 | V | 46.7 | Very low | 45.2 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -6.3 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | T329 I331 | T329-V333 WeakPolarHBondContact O-CG2 3.34Å; I331-V333 PolarHBondContact O-N 2.99Å |
| 334 | S | 39.8 | Very low | 45.3 | Very low | 92 Ų | 92 | 121.1 Ų | 121.1 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 23.4 | -175.4 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | F330 I331 V332 | F330-S334 PolarHBondContact O-OG 3.13Å; I331-S334 PolarHBondContact O-N 3.35Å; V332-S334 VanDerWaalsContact C-N 3.34Å |
| 335 | C | 38.3 | Very low | 45.3 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 100% | 1.203 | 67% | 0.666 | S | S | * | * | trans | -121.8 | 0 | 169.5 | -85.8 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 335 of 335 residues in 108.3 ms
(Link to these results)