| 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 | 37.6 | Very low | 55.8 | Low | 241 Ų | 241 | 138 Ų | 138 | 100% | 1.187 | 72% | 0.718 | S | S | * | * | 0 | 101.8 | 0 | -72.9 | -177.7 | 168.7 | 0 | 0 | 107.5 | T3 | M1-T3 PolarHBondContact O-N 2.96Š| |||
| 2 | S | 44.5 | Very low | 57 | Low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -74.6 | 109 | 179.9 | -55.9 | 0 | 0 | 0 | 0 | 108.8 | N4 | S2-N4 VanDerWaalsContact C-N 3.34Å; S2-N4 PolarHBondContact O-N 3.23Å | ||
| 3 | T | 54.4 | Low | 59.2 | Low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | -65.5 | 97.2 | 167.9 | 41.9 | 0 | 0 | 0 | 0 | 107.3 | M1 I5 | M1-T3 PolarHBondContact O-N 2.96Å; T3-I5 PolarHBondContact O-N 3.28Å | ||
| 4 | N | 56.6 | Low | 61.3 | Low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -70.6 | 85.7 | 172.3 | -154.3 | -72.1 | 0 | 0 | 0 | 106.8 | S2 C6 | S2-N4 VanDerWaalsContact C-N 3.34Å; S2-N4 PolarHBondContact O-N 3.23Å; N4-C6 VanDerWaalsContact C-N 3.26Å; N4-C6 PolarHBondContact O-N 3.32Å | ||
| 5 | I | 59.7 | Low | 63.3 | Low | 145 Ų | 145 | 125.3 Ų | 125.3 | 74% | 0.744 | 67% | 0.674 | S | S | * | * | trans | -71.6 | 89.5 | 175.1 | -59.1 | 167.2 | 0 | 0 | 0 | 105.4 | T3 S7 | T3-I5 PolarHBondContact O-N 3.28Å; I5-S7 PolarHBondContact O-N 3.41Å | ||
| 6 | C | 58.4 | Low | 65 | Low | 75 Ų | 75 | 119.9 Ų | 119.9 | 51% | 0.507 | 65% | 0.645 | S | S | . | * | trans | -64.3 | 119.5 | 172.1 | 75.7 | 0 | 0 | 0 | 0 | 107.7 | N4 | N4-C6 VanDerWaalsContact C-N 3.26Å; N4-C6 PolarHBondContact O-N 3.32Å | ||
| 7 | S | 61.9 | Low | 66.6 | Low | 58 Ų | 58 | 116.8 Ų | 116.8 | 41% | 0.406 | 63% | 0.633 | S | S | . | * | trans | -69.1 | 153.2 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | I5 K9 D10 | I5-S7 PolarHBondContact O-N 3.41Å; S7-K9 PolarHBondContact O-N 2.87Å; S7-D10 WeakPolarHBondContact CB-OD2 3.24Å; S7-D10 PolarHBondContact N-OD2 3.31Å; S7-D10 WeakPolarHBondContact O-CB 3.46Å; S7-D10 PolarHBondContact O-N 2.85Å | ||
| 8 | F | 56.9 | Low | 67.9 | Low | 160 Ų | 160 | 110.9 Ų | 110.9 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -54.3 | -28.2 | 171.8 | -176 | -96.5 | 0 | 0 | 0 | 111.9 | D10 R11 | F8-D10 VanDerWaalsContact C-N 3.25Å; F8-D10 PolarHBondContact O-N 2.94Å; F8-R11 PolarHBondContact O-N 3.34Å |
| 9 | K | 59.2 | Low | 69 | Low | 192 Ų | 192 | 113.8 Ų | 113.8 | 84% | 0.835 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -66.4 | -20.6 | 174.9 | -62.8 | -176.2 | 179.1 | -179 | 0 | 114.2 | S7 | S7-K9 PolarHBondContact O-N 2.87Š|
| 10 | D | 58.8 | Low | 70 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -85.9 | -7.5 | 179.3 | -65.7 | -48.7 | 0 | 0 | 0 | 113.1 | S7 F8 C12 | S7-D10 WeakPolarHBondContact CB-OD2 3.24Å; S7-D10 PolarHBondContact N-OD2 3.31Å; S7-D10 WeakPolarHBondContact O-CB 3.46Å; S7-D10 PolarHBondContact O-N 2.85Å; F8-D10 VanDerWaalsContact C-N 3.25Å; F8-D10 PolarHBondContact O-N 2.94Å; D10-C12 PolarHBondContact O-N 2.7Å; D10-C12 VanDerWaalsContact O-N 3.09Å |
| 11 | R | 65.6 | Low | 70.9 | Confident | 148 Ų | 148 | 109.4 Ų | 109.4 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -72.4 | 107.8 | 175.6 | -67.2 | -161.5 | 179.1 | -168 | 1.8 | 109.3 | F8 V13 | F8-R11 PolarHBondContact O-N 3.34Å; R11-V13 PolarHBondContact O-N 3.32Å |
| 12 | C | 70.9 | Confident | 73.5 | Confident | 113 Ų | 113 | 105.1 Ų | 105.1 | 76% | 0.764 | 56% | 0.556 | S | S | * | * | trans | -59.3 | 113.8 | -179.8 | -60.9 | 0 | 0 | 0 | 0 | 111 | D10 | D10-C12 PolarHBondContact O-N 2.7Å; D10-C12 VanDerWaalsContact O-N 3.09Å | ||
| 13 | V | 85.3 | Confident | 75.7 | Confident | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 129 | 169.3 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | R11 S27 R28 | R11-V13 PolarHBondContact O-N 3.32Å; V13-S27 VanDerWaalsContact CG1-O 3.29Å; V13-S27 WeakPolarHBondContact CG1-O 3.45Å; V13-R28 HydrophobicContact CG1-CB 4.33Å |
| 14 | S | 88.9 | Confident | 77.4 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 30% | 0.301 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 141.8 | 179.6 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | G29 | S14-G29 PolarHBondContact N-O 3.01Å; S14-G29 WeakPolarHBondContact O-CA 3.41Å; S14-G29 PolarHBondContact O-N 3.42Å |
| 15 | I | 90.7 | Very high | 79 | Confident | 114 Ų | 114 | 94.5 Ų | 94.5 | 59% | 0.585 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.6 | 168.7 | -56.8 | 176.8 | 0 | 0 | 0 | 108.2 | V24 S26 | I15-V24 HydrophobicContact CG2-CG1 3.83Å; I15-V24 HydrophobicContact CG2-CG2 4.28Å; I15-S26 CarbonylContact C-O 3.57Å; I15-S26 WeakPolarHBondContact CA-O 3.03Å |
| 16 | L | 90.6 | Very high | 80.5 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 20% | 0.204 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.8 | 177.3 | -56.2 | -178.4 | 0 | 0 | 0 | 109.6 | L25 S26 F43 T45 | L16-L25 HydrophobicContact CB-CB 4.49Å; L16-L25 PolarHBondContact O-N 3.47Å; L16-S26 PolarHBondContact N-O 3.12Å; L16-S26 PolarHBondContact O-N 2.94Å; L16-F43 HydrophobicContact CD1-CB 3.83Å; L16-F43 HydrophobicContact CD1-CG 4.26Å; L16-F43 HydrophobicContact CD2-CB 4.14Å; L16-F43 HydrophobicContact CD2-CD1 3.77Å; L16-F43 HydrophobicContact CD2-CD2 3.79Å; L16-F43 HydrophobicContact CD2-CE1 4.05Å; L16-F43 HydrophobicContact CD2-CE2 4.07Å; L16-F43 HydrophobicContact CD2-CG 3.63Å; L16-F43 HydrophobicContact CD2-CZ 4.2Å; L16-T45 HydrophobicContact CD1-CG2 4.15Å |
| 17 | C | 91.8 | Very high | 81.9 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 45% | 0.453 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.6 | 179.2 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | K19 Q23 | C17-K19 PolarHBondContact O-N 3.09Å; C17-Q23 CarbonylContact C-O 3.51Å; C17-Q23 WeakPolarHBondContact CA-O 3.43Å |
| 18 | C | 90.5 | Very high | 83.2 | Confident | 11 Ų | 11 | 89.6 Ų | 89.6 | 7% | 0.074 | 45% | 0.452 | C | S | . | . | trans | -63 | 126 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | F20 C21 K22 Q23 L25 C74 | C18-F20 PolarHBondContact O-N 3.18Å; C18-F20 VanDerWaalsContact O-N 3.14Å; C18-C21 WeakPolarHBondContact CB-SG 3.4Å; C18-C21 VanDerWaalsContact SG-SG 3.61Å; C18-K22 WeakPolarHBondContact O-CA 3.49Å; C18-K22 PolarHBondContact O-N 3.37Å; C18-Q23 PolarHBondContact N-O 3.24Å; C18-L25 HydrophobicContact CB-CD1 4.4Å; C18-L25 HydrophobicContact CB-CD2 4.1Å; C18-L25 HydrophobicContact CB-CG 4.37Å; C18-C74 HydrophobicContact CB-CB 4.11Å | ||
| 19 | K | 89.3 | Confident | 84.8 | Confident | 165 Ų | 165 | 82 Ų | 82 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35.3 | 179.6 | -174.7 | 168.5 | -179.1 | 169.8 | 0 | 113 | C17 K22 | C17-K19 PolarHBondContact O-N 3.09Å; K19-K22 PolarHBondContact O-NZ 3.06Å; K19-K22 VanDerWaalsContact O-NZ 3.12Å |
| 20 | F | 89.5 | Confident | 86.2 | Confident | 112 Ų | 112 | 76.2 Ų | 76.2 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -55.3 | -172.6 | -58.9 | -80.9 | 0 | 0 | 0 | 113.7 | C18 W77 | C18-F20 PolarHBondContact O-N 3.18Å; C18-F20 VanDerWaalsContact O-N 3.14Å; F20-W77 HydrophobicContact CB-CD2 3.52Å; F20-W77 HydrophobicContact CB-CE3 3.6Å; F20-W77 HydrophobicContact CB-CG 3.97Å; F20-W77 HydrophobicContact CB-CH2 4.25Å; F20-W77 HydrophobicContact CB-CZ2 4.2Å; F20-W77 HydrophobicContact CB-CZ3 3.97Å; F20-W77 HydrophobicContact CD1-CH2 4.46Å; F20-W77 HydrophobicContact CD1-CZ2 4.03Å; F20-W77 HydrophobicContact CG-CD2 4.12Å; F20-W77 AromaticContact CG-CE2 3.97Å; F20-W77 HydrophobicContact CG-CG 4.44Å; F20-W77 HydrophobicContact CG-CZ2 4.29Å |
| 21 | C | 88.1 | Confident | 87.7 | Confident | 24 Ų | 24 | 76.7 Ų | 76.7 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -0.6 | -175 | 70 | 0 | 0 | 0 | 0 | 114 | C18 Q23 C74 K76 W77 | C18-C21 WeakPolarHBondContact CB-SG 3.4Å; C18-C21 VanDerWaalsContact SG-SG 3.61Å; C21-Q23 PolarHBondContact O-N 3.35Å; C21-Q23 WeakPolarHBondContact SG-CB 3.27Å; C21-C74 PolarHBondContact SG-SG 2.86Å; C21-K76 HydrophobicContact CB-CD 4.18Å; C21-K76 HydrophobicContact CB-CG 4.25Å; C21-W77 HydrophobicContact CB-CB 4.44Å; C21-W77 HydrophobicContact CB-CE3 4.32Å |
| 22 | K | 91.4 | Very high | 88.7 | Confident | 150 Ų | 150 | 71.6 Ų | 71.6 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | trans | 56.9 | 10.7 | -177.1 | -53.1 | -56.7 | -173.2 | -170.5 | 0 | 115.1 | C18 K19 V24 | C18-K22 WeakPolarHBondContact O-CA 3.49Å; C18-K22 PolarHBondContact O-N 3.37Å; K19-K22 PolarHBondContact O-NZ 3.06Å; K19-K22 VanDerWaalsContact O-NZ 3.12Å; K22-V24 PolarHBondContact O-N 3.04Å | ||
| 23 | Q | 90.7 | Very high | 89.3 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -61.7 | 132.7 | 174.3 | -178.7 | 174.8 | 8 | 0 | 0 | 109.8 | C17 C18 C21 L25 A52 C74 K76 | C17-Q23 CarbonylContact C-O 3.51Å; C17-Q23 WeakPolarHBondContact CA-O 3.43Å; C18-Q23 PolarHBondContact N-O 3.24Å; C21-Q23 PolarHBondContact O-N 3.35Å; C21-Q23 WeakPolarHBondContact SG-CB 3.27Å; Q23-L25 PolarHBondContact O-N 2.79Å; Q23-A52 HydrophobicContact CG-CB 4.37Å; Q23-C74 PolarHBondContact OE1-SG 2.77Å; Q23-C74 VanDerWaalsContact OE1-SG 3.41Å; Q23-K76 HydrophobicContact CB-CD 4.32Å | ||
| 24 | V | 91.1 | Very high | 89.2 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 119.5 | 169.6 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | I15 K22 A52 | I15-V24 HydrophobicContact CG2-CG1 3.83Å; I15-V24 HydrophobicContact CG2-CG2 4.28Å; K22-V24 PolarHBondContact O-N 3.04Å; V24-A52 WeakPolarHBondContact O-CB 3.24Å |
| 25 | L | 90.6 | Very high | 89 | Confident | 44 Ų | 44 | 77 Ų | 77 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -52.1 | 175.2 | -54.7 | -175.5 | 0 | 0 | 0 | 109.1 | L16 C18 Q23 P49 A52 V53 C74 | L16-L25 HydrophobicContact CB-CB 4.49Å; L16-L25 PolarHBondContact O-N 3.47Å; C18-L25 HydrophobicContact CB-CD1 4.4Å; C18-L25 HydrophobicContact CB-CD2 4.1Å; C18-L25 HydrophobicContact CB-CG 4.37Å; Q23-L25 PolarHBondContact O-N 2.79Å; L25-P49 WeakPolarHBondContact O-CB 3.37Å; L25-A52 HydrophobicContact CD2-CB 4.08Å; L25-V53 HydrophobicContact CB-CG1 4.35Å; L25-V53 HydrophobicContact CD1-CG1 4.22Å; L25-V53 HydrophobicContact CD2-CG1 3.77Å; L25-V53 HydrophobicContact CG-CG1 4.32Å; L25-C74 HydrophobicContact CD2-CB 4.04Å |
| 26 | S | 90.3 | Very high | 88.7 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 8% | 0.077 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.9 | 177.6 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | I15 L16 R28 T45 | I15-S26 CarbonylContact C-O 3.57Å; I15-S26 WeakPolarHBondContact CA-O 3.03Å; L16-S26 PolarHBondContact N-O 3.12Å; L16-S26 PolarHBondContact O-N 2.94Å; S26-R28 PolarHBondContact OG-N 3.03Å; S26-R28 VanDerWaalsContact OG-N 3.09Å; S26-T45 WeakPolarHBondContact OG-CG2 3.31Å |
| 27 | S | 89.1 | Confident | 88.3 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 1 | 169.6 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | V13 | V13-S27 VanDerWaalsContact CG1-O 3.29Å; V13-S27 WeakPolarHBondContact CG1-O 3.45Å |
| 28 | R | 88.3 | Confident | 87.9 | Confident | 89 Ų | 89 | 79.3 Ų | 79.3 | 34% | 0.336 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 37.2 | -170.3 | -60.8 | -171.5 | -58 | 141.2 | 36.4 | 113.4 | V13 S26 D46 I47 | V13-R28 HydrophobicContact CG1-CB 4.33Å; S26-R28 PolarHBondContact OG-N 3.03Å; S26-R28 VanDerWaalsContact OG-N 3.09Å; R28-D46 VanDerWaalsContact CZ-CG 3.45Å; R28-D46 IonicContact CZ-OD1 3.02Å; R28-D46 IonicContact CZ-OD2 3.45Å; R28-D46 IonicContact NE-OD1 3.14Å; R28-D46 IonicContact NH1-OD1 3.67Å; R28-D46 IonicContact NH1-OD2 2.73Å; R28-D46 PolarHBondContact NH1-OD2 2.76Å; R28-D46 IonicContact NH2-OD1 2.65Å; R28-D46 PolarHBondContact NH2-OD1 3.4Å; R28-D46 IonicContact NH2-OD2 2.82Å; R28-D46 PolarHBondContact NH2-OD2 3.3Å; R28-I47 VanDerWaalsContact CZ-CD1 3.46Å |
| 29 | G | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | S14 | S14-G29 PolarHBondContact N-O 3.01Å; S14-G29 WeakPolarHBondContact O-CA 3.41Å; S14-G29 PolarHBondContact O-N 3.42Å |
| 30 | M | 90.4 | Very high | 87.6 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.4 | 172.2 | 173.7 | 165.8 | 30.5 | 0 | 0 | 109.4 | A32 F43 S44 | M30-A32 PolarHBondContact O-N 2.68Å; M30-F43 CarbonylContact O-C 3.59Å; M30-F43 VanDerWaalsContact O-CA 3.27Å; M30-F43 WeakPolarHBondContact O-CA 3.29Å; M30-S44 PolarHBondContact N-O 3.07Å; M30-S44 PolarHBondContact O-N 3.19Å |
| 31 | K | 88.6 | Confident | 87.5 | Confident | 116 Ų | 116 | 82 Ų | 82 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 123.8 | -179.3 | -169.6 | 172.3 | -175.3 | 165.3 | 0 | 110.1 | D41 L42 F43 | K31-D41 WeakPolarHBondContact CE-OD1 3.45Å; K31-D41 IonicContact NZ-OD1 2.7Å; K31-D41 PolarHBondContact NZ-OD1 3.1Å; K31-L42 CarbonylContact C-O 3.53Å; K31-L42 WeakPolarHBondContact CA-O 3.49Å; K31-F43 HydrophobicContact CB-CD1 4.12Å; K31-F43 HydrophobicContact CB-CE1 3.87Å; K31-F43 HydrophobicContact CG-CE1 4.19Å; K31-F43 HydrophobicContact CG-CZ 4.49Å |
| 32 | A | 87.3 | Confident | 87.6 | Confident | 41 Ų | 41 | 84 Ų | 84 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | M30 L42 | M30-A32 PolarHBondContact O-N 2.68Å; A32-L42 HydrophobicContact CB-CB 4.09Å; A32-L42 PolarHBondContact N-O 3Å; A32-L42 VanDerWaalsContact O-O 3.08Å |
| 33 | V | 84.6 | Confident | 87.5 | Confident | 95 Ų | 95 | 80.4 Ų | 80.4 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.7 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | T38 | V33-T38 HydrophobicContact CG1-CG2 4.23Å |
| 34 | L | 82.9 | Confident | 87.4 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 44% | 0.44 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.1 | 167.9 | -64.4 | 171.7 | 0 | 0 | 0 | 108.1 | A36 D37 L42 | L34-A36 PolarHBondContact O-N 3.2Å; L34-D37 WeakPolarHBondContact CB-O 3.36Å; L34-D37 CarbonylContact O-C 3.43Å; L34-D37 PolarHBondContact O-N 3.3Å; L34-D37 VanDerWaalsContact O-O 3.05Å; L34-L42 HydrophobicContact CD1-CD1 3.33Å; L34-L42 HydrophobicContact CD2-CD1 4.01Å; L34-L42 HydrophobicContact CG-CD1 3.46Å; L34-L42 VanDerWaalsContact CG-CD1 3.46Å |
| 35 | L | 84.9 | Confident | 87.2 | Confident | 181 Ų | 181 | 79.7 Ų | 79.7 | 95% | 0.948 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.4 | 176.8 | -60.9 | 177.8 | 0 | 0 | 0 | 112.2 | ||
| 36 | A | 84.4 | Confident | 86.9 | Confident | 105 Ų | 105 | 82.9 Ų | 82.9 | 87% | 0.868 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -18.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L34 | L34-A36 PolarHBondContact O-N 3.2Š|
| 37 | D | 81.4 | Confident | 86.4 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 112 | -176.3 | -175.4 | -12.3 | 0 | 0 | 0 | 110 | L34 E39 I40 | L34-D37 WeakPolarHBondContact CB-O 3.36Å; L34-D37 CarbonylContact O-C 3.43Å; L34-D37 PolarHBondContact O-N 3.3Å; L34-D37 VanDerWaalsContact O-O 3.05Å; D37-E39 WeakPolarHBondContact OD1-CB 3.48Å; D37-E39 PolarHBondContact OD1-N 3Å; D37-I40 PolarHBondContact OD1-N 2.83Å; D37-I40 VanDerWaalsContact OD2-CD1 3.24Å; D37-I40 WeakPolarHBondContact OD2-CD1 3.2Å; D37-I40 WeakPolarHBondContact OD2-CG1 3.5Å |
| 38 | T | 83.9 | Confident | 85.6 | Confident | 111 Ų | 111 | 87.4 Ų | 87.4 | 68% | 0.681 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -2.6 | 178.7 | 58 | 0 | 0 | 0 | 0 | 113.3 | V33 | V33-T38 HydrophobicContact CG1-CG2 4.23Å |
| 39 | E | 88.3 | Confident | 85 | Confident | 181 Ų | 181 | 84.4 Ų | 84.4 | 85% | 0.846 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -28.2 | 178.1 | -60.6 | -169.8 | 170.9 | 0 | 0 | 111.4 | D37 | D37-E39 WeakPolarHBondContact OD1-CB 3.48Å; D37-E39 PolarHBondContact OD1-N 3Å |
| 40 | I | 85.1 | Confident | 84.1 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 35% | 0.349 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114 | 177.8 | -55.5 | 178.9 | 0 | 0 | 0 | 110.3 | D37 L42 | D37-I40 PolarHBondContact OD1-N 2.83Å; D37-I40 VanDerWaalsContact OD2-CD1 3.24Å; D37-I40 WeakPolarHBondContact OD2-CD1 3.2Å; D37-I40 WeakPolarHBondContact OD2-CG1 3.5Å; I40-L42 HydrophobicContact CG2-CG 4.18Å; I40-L42 PolarHBondContact O-N 2.74Å |
| 41 | D | 87.1 | Confident | 83.7 | Confident | 96 Ų | 96 | 93 Ų | 93 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115 | 168.6 | -76.9 | -38.2 | 0 | 0 | 0 | 110.7 | K31 F43 | K31-D41 WeakPolarHBondContact CE-OD1 3.45Å; K31-D41 IonicContact NZ-OD1 2.7Å; K31-D41 PolarHBondContact NZ-OD1 3.1Å; D41-F43 HydrophobicContact CB-CE2 3.86Å |
| 42 | L | 89.4 | Confident | 83.6 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 147 | 172.5 | -76.3 | 162.9 | 0 | 0 | 0 | 110.7 | K31 A32 L34 I40 | K31-L42 CarbonylContact C-O 3.53Å; K31-L42 WeakPolarHBondContact CA-O 3.49Å; A32-L42 HydrophobicContact CB-CB 4.09Å; A32-L42 PolarHBondContact N-O 3Å; A32-L42 VanDerWaalsContact O-O 3.08Å; L34-L42 HydrophobicContact CD1-CD1 3.33Å; L34-L42 HydrophobicContact CD2-CD1 4.01Å; L34-L42 HydrophobicContact CG-CD1 3.46Å; L34-L42 VanDerWaalsContact CG-CD1 3.46Å; I40-L42 HydrophobicContact CG2-CG 4.18Å; I40-L42 PolarHBondContact O-N 2.74Å |
| 43 | F | 90.1 | Very high | 83.6 | Confident | 74 Ų | 74 | 86.6 Ų | 86.6 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.3 | 177 | -65.2 | -92.5 | 0 | 0 | 0 | 109.7 | L16 M30 K31 D41 | L16-F43 HydrophobicContact CD1-CB 3.83Å; L16-F43 HydrophobicContact CD1-CG 4.26Å; L16-F43 HydrophobicContact CD2-CB 4.14Å; L16-F43 HydrophobicContact CD2-CD1 3.77Å; L16-F43 HydrophobicContact CD2-CD2 3.79Å; L16-F43 HydrophobicContact CD2-CE1 4.05Å; L16-F43 HydrophobicContact CD2-CE2 4.07Å; L16-F43 HydrophobicContact CD2-CG 3.63Å; L16-F43 HydrophobicContact CD2-CZ 4.2Å; M30-F43 CarbonylContact O-C 3.59Å; M30-F43 VanDerWaalsContact O-CA 3.27Å; M30-F43 WeakPolarHBondContact O-CA 3.29Å; K31-F43 HydrophobicContact CB-CD1 4.12Å; K31-F43 HydrophobicContact CB-CE1 3.87Å; K31-F43 HydrophobicContact CG-CE1 4.19Å; K31-F43 HydrophobicContact CG-CZ 4.49Å; D41-F43 HydrophobicContact CB-CE2 3.86Å |
| 44 | S | 87.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 46% | 0.462 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 135.3 | 170.5 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | M30 | M30-S44 PolarHBondContact N-O 3.07Å; M30-S44 PolarHBondContact O-N 3.19Å |
| 45 | T | 88.1 | Confident | 84 | Confident | 47 Ų | 47 | 88.1 Ų | 88.1 | 29% | 0.288 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.5 | 172.9 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | L16 S26 | L16-T45 HydrophobicContact CD1-CG2 4.15Å; S26-T45 WeakPolarHBondContact OG-CG2 3.31Å |
| 46 | D | 84.1 | Confident | 84.1 | Confident | 110 Ų | 110 | 81.1 Ų | 81.1 | 59% | 0.588 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -78.4 | -17.8 | -180 | 64.3 | -47.1 | 0 | 0 | 0 | 113.7 | R28 | R28-D46 VanDerWaalsContact CZ-CG 3.45Å; R28-D46 IonicContact CZ-OD1 3.02Å; R28-D46 IonicContact CZ-OD2 3.45Å; R28-D46 IonicContact NE-OD1 3.14Å; R28-D46 IonicContact NH1-OD1 3.67Å; R28-D46 IonicContact NH1-OD2 2.73Å; R28-D46 PolarHBondContact NH1-OD2 2.76Å; R28-D46 IonicContact NH2-OD1 2.65Å; R28-D46 PolarHBondContact NH2-OD1 3.4Å; R28-D46 IonicContact NH2-OD2 2.82Å; R28-D46 PolarHBondContact NH2-OD2 3.3Å |
| 47 | I | 79.2 | Confident | 84.1 | Confident | 84 Ų | 84 | 79.1 Ų | 79.1 | 43% | 0.431 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -128.3 | 137.7 | 169.8 | -65.2 | 170.5 | 0 | 0 | 0 | 108.5 | R28 | R28-I47 VanDerWaalsContact CZ-CD1 3.46Š|
| 48 | P | 72.2 | Confident | 84.5 | Confident | 96 Ų | 96 | 87.5 Ų | 87.5 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | trans | -58.2 | 131.7 | 174.4 | 23.5 | -33.6 | 0 | 0 | 0 | 109.9 | T50 | P48-T50 PolarHBondContact O-N 2.76Š| ||
| 49 | P | 76.4 | Confident | 84.9 | Confident | 26 Ų | 26 | 84.7 Ų | 84.7 | 17% | 0.169 | 46% | 0.458 | C | S | . | . | trans | -63.9 | 98.1 | -177.6 | 14.3 | -18.7 | 0 | 0 | 0 | 111.5 | L25 V53 | L25-P49 WeakPolarHBondContact O-CB 3.37Å; P49-V53 HydrophobicContact CB-CG2 4.11Å; P49-V53 HydrophobicContact CG-CG2 3.67Å; P49-V53 WeakPolarHBondContact O-CG2 3.29Å | ||
| 50 | T | 70.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 81 Ų | 81 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 139.2 | -172.6 | 23 | 0 | 0 | 0 | 0 | 111.6 | P48 A52 | P48-T50 PolarHBondContact O-N 2.76Å; T50-A52 PolarHBondContact O-N 2.97Å |
| 51 | N | 81.1 | Confident | 85.6 | Confident | 145 Ų | 145 | 84.2 Ų | 84.2 | 78% | 0.775 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -9.1 | 176.5 | -53.6 | -29 | 0 | 0 | 0 | 117.1 | ||
| 52 | A | 86 | Confident | 85.8 | Confident | 4 Ų | 4 | 81.5 Ų | 81.5 | 3% | 0.033 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -29.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q23 V24 L25 T50 C74 L75 | Q23-A52 HydrophobicContact CG-CB 4.37Å; V24-A52 WeakPolarHBondContact O-CB 3.24Å; L25-A52 HydrophobicContact CD2-CB 4.08Å; T50-A52 PolarHBondContact O-N 2.97Å; A52-C74 WeakPolarHBondContact O-CA 3.43Å; A52-L75 PolarHBondContact O-N 2.85Å |
| 53 | V | 88.2 | Confident | 85.9 | Confident | 19 Ų | 19 | 88.4 Ų | 88.4 | 12% | 0.115 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 162.8 | 174.9 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | L25 P49 I72 A73 | L25-V53 HydrophobicContact CB-CG1 4.35Å; L25-V53 HydrophobicContact CD1-CG1 4.22Å; L25-V53 HydrophobicContact CD2-CG1 3.77Å; L25-V53 HydrophobicContact CG-CG1 4.32Å; P49-V53 HydrophobicContact CB-CG2 4.11Å; P49-V53 HydrophobicContact CG-CG2 3.67Å; P49-V53 WeakPolarHBondContact O-CG2 3.29Å; V53-I72 HydrophobicContact CB-CB 4.47Å; V53-I72 HydrophobicContact CG2-CB 4.43Å; V53-I72 HydrophobicContact CG2-CD1 4.2Å; V53-A73 CarbonylContact C-O 3.57Å; V53-A73 WeakPolarHBondContact CA-O 3.24Å; V53-A73 WeakPolarHBondContact CB-O 3.11Å |
| 54 | D | 87.3 | Confident | 85.9 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 161.3 | 167.3 | -163.8 | -0.7 | 0 | 0 | 0 | 109.6 | I72 A73 L75 | D54-I72 CarbonylContact O-C 3.53Å; D54-I72 VanDerWaalsContact O-CA 3.29Å; D54-I72 WeakPolarHBondContact O-CA 3.38Å; D54-A73 PolarHBondContact N-O 2.73Å; D54-A73 PolarHBondContact O-N 2.82Å; D54-L75 HydrophobicContact CB-CD1 4.18Å; D54-L75 HydrophobicContact CB-CD2 3.42Å; D54-L75 VanDerWaalsContact CB-CD2 3.42Å; D54-L75 HydrophobicContact CB-CG 3.93Å |
| 55 | F | 87.6 | Confident | 86 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141 | 176.6 | -64 | -65.9 | 0 | 0 | 0 | 111.3 | K70 D71 I72 | F55-K70 HydrophobicContact CB-CD 3.8Å; F55-K70 VanDerWaalsContact CB-CE 3.47Å; F55-K70 HydrophobicContact CB-CG 4.27Å; F55-K70 VanDerWaalsContact CB-NZ 3.34Å; F55-K70 HydrophobicContact CD1-CB 4.16Å; F55-K70 HydrophobicContact CD1-CD 3.53Å; F55-K70 HydrophobicContact CD1-CG 3.82Å; F55-K70 HydrophobicContact CD2-CD 4.42Å; F55-K70 HydrophobicContact CE1-CB 4.48Å; F55-K70 HydrophobicContact CE1-CD 4.17Å; F55-K70 HydrophobicContact CG-CD 3.67Å; F55-K70 HydrophobicContact CG-CG 4.31Å; F55-D71 CarbonylContact C-O 3.54Å; F55-D71 WeakPolarHBondContact CA-O 3.26Å; F55-I72 HydrophobicContact CD1-CG2 3.53Å; F55-I72 HydrophobicContact CE1-CG2 3.8Å; F55-I72 HydrophobicContact CG-CG2 4.44Å |
| 56 | T | 87.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 99.3 Ų | 99.3 | 21% | 0.209 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.6 | 175.4 | 81.9 | 0 | 0 | 0 | 0 | 110.9 | D71 A73 R91 | T56-D71 PolarHBondContact N-O 3.28Å; T56-A73 HydrophobicContact CG2-CB 3.33Å; T56-R91 PolarHBondContact OG1-NH1 3.14Å |
| 57 | G | 84.9 | Confident | 86.7 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 68.2 | -160.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 58 | R | 89 | Confident | 87.4 | Confident | 229 Ų | 229 | 99.8 Ų | 99.8 | 86% | 0.864 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 157.9 | -177.7 | -62.3 | -176.7 | -177.8 | -152.1 | 0.7 | 110.4 | ||
| 59 | C | 93.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 146.7 | 170.3 | -52 | 0 | 0 | 0 | 0 | 109.5 | K68 L69 | C59-K68 HydrophobicContact CB-CD 4.42Å; C59-K68 VanDerWaalsContact CB-CE 3.46Å; C59-K68 HydrophobicContact CB-CG 4.09Å; C59-K68 WeakPolarHBondContact SG-CE 3.45Å; C59-L69 CarbonylContact C-O 3.58Å; C59-L69 VanDerWaalsContact CA-O 3.26Å; C59-L69 WeakPolarHBondContact CA-O 3.39Å |
| 60 | Y | 93.6 | Very high | 89.1 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 166.4 | 174.1 | 56.1 | -85.9 | 0 | 0 | 0 | 110.2 | L69 D71 | Y60-L69 HydrophobicContact CD2-CB 3.9Å; Y60-L69 HydrophobicContact CD2-CD1 4.28Å; Y60-L69 HydrophobicContact CE1-CB 4.21Å; Y60-L69 HydrophobicContact CE2-CB 3.5Å; Y60-L69 HydrophobicContact CE2-CD1 3.61Å; Y60-L69 HydrophobicContact CE2-CG 4.17Å; Y60-L69 HydrophobicContact CG-CB 4.41Å; Y60-L69 PolarHBondContact N-O 3.35Å; Y60-L69 PolarHBondContact O-N 2.91Å; Y60-D71 VanDerWaalsContact CE1-OD1 3.29Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.37Å; Y60-D71 PolarHBondContact OH-OD1 2.78Å |
| 61 | F | 94.6 | Very high | 90 | Very high | 134 Ų | 134 | 98.9 Ų | 98.9 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.9 | -177.6 | -63.4 | -92.9 | 0 | 0 | 0 | 110.3 | K66 C67 K68 | F61-K66 WeakPolarHBondContact CD1-O 3.42Å; F61-C67 VanDerWaalsContact CA-O 3.31Å; F61-C67 WeakPolarHBondContact CA-O 3.47Å; F61-K68 HydrophobicContact CD1-CB 3.9Å; F61-K68 HydrophobicContact CD1-CG 4.31Å; F61-K68 HydrophobicContact CE1-CB 3.54Å; F61-K68 HydrophobicContact CE1-CD 4.13Å; F61-K68 HydrophobicContact CE1-CG 3.74Å; F61-K68 HydrophobicContact CZ-CB 4.22Å; F61-K68 HydrophobicContact CZ-CD 4.03Å; F61-K68 HydrophobicContact CZ-CG 3.9Å |
| 62 | T | 90.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 96.5 Ų | 96.5 | 25% | 0.245 | 48% | 0.481 | C | S | . | . | trans | -69.4 | 139 | 171.6 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | I64 C65 K66 C67 L69 | T62-I64 VanDerWaalsContact C-N 3.32Å; T62-I64 PolarHBondContact O-N 3.13Å; T62-C65 PolarHBondContact OG1-SG 3.45Å; T62-K66 VanDerWaalsContact O-CA 3.24Å; T62-K66 WeakPolarHBondContact O-CA 2.9Å; T62-K66 PolarHBondContact O-N 3.43Å; T62-K66 VanDerWaalsContact O-N 3.1Å; T62-K66 PolarHBondContact OG1-N 3.46Å; T62-C67 HydrophobicContact CG2-CB 4.42Å; T62-C67 PolarHBondContact N-O 3.18Å; T62-C67 VanDerWaalsContact N-O 3.13Å; T62-C67 PolarHBondContact OG1-N 3.45Å; T62-L69 HydrophobicContact CG2-CD1 3.51Å; T62-L69 HydrophobicContact CG2-CG 4.17Å | ||
| 63 | K | 91.5 | Very high | 90.4 | Very high | 211 Ų | 211 | 97.4 Ų | 97.4 | 92% | 0.917 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.5 | -179 | -65.5 | -179.2 | -179 | 176.4 | 0 | 113.8 | ||
| 64 | I | 90 | Very high | 90.5 | Very high | 165 Ų | 165 | 97.1 Ų | 97.1 | 85% | 0.846 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -63.9 | -172 | -57 | 172.4 | 0 | 0 | 0 | 111.1 | T62 | T62-I64 VanDerWaalsContact C-N 3.32Å; T62-I64 PolarHBondContact O-N 3.13Å |
| 65 | C | 90.3 | Very high | 90.5 | Very high | 85 Ų | 85 | 94.7 Ų | 94.7 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 0.2 | -174 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | T62 C67 | T62-C65 PolarHBondContact OG1-SG 3.45Å; C65-C67 PolarHBondContact O-N 2.93Å |
| 66 | K | 93.4 | Very high | 90.3 | Very high | 167 Ų | 167 | 94.6 Ų | 94.6 | 73% | 0.726 | 47% | 0.473 | S | S | * | . | trans | 52.4 | 22.7 | -177.2 | -56 | -178.8 | -178.5 | 177 | 0 | 114 | F61 T62 K68 | F61-K66 WeakPolarHBondContact CD1-O 3.42Å; T62-K66 VanDerWaalsContact O-CA 3.24Å; T62-K66 WeakPolarHBondContact O-CA 2.9Å; T62-K66 PolarHBondContact O-N 3.43Å; T62-K66 VanDerWaalsContact O-N 3.1Å; T62-K66 PolarHBondContact OG1-N 3.46Å; K66-K68 PolarHBondContact O-N 3.19Å | ||
| 67 | C | 92.9 | Very high | 89.7 | Confident | 64 Ų | 64 | 95.9 Ų | 95.9 | 43% | 0.432 | 47% | 0.474 | S | S | . | . | trans | -65.3 | 133.9 | 175.6 | -71.6 | 0 | 0 | 0 | 0 | 109.8 | F61 T62 C65 | F61-C67 VanDerWaalsContact CA-O 3.31Å; F61-C67 WeakPolarHBondContact CA-O 3.47Å; T62-C67 HydrophobicContact CG2-CB 4.42Å; T62-C67 PolarHBondContact N-O 3.18Å; T62-C67 VanDerWaalsContact N-O 3.13Å; T62-C67 PolarHBondContact OG1-N 3.45Å; C65-C67 PolarHBondContact O-N 2.93Å | ||
| 68 | K | 94 | Very high | 88.9 | Confident | 140 Ų | 140 | 95.4 Ų | 95.4 | 61% | 0.609 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.6 | 174.6 | -169.9 | 177.9 | 179.8 | 179.6 | 0 | 109.5 | C59 F61 K66 | C59-K68 HydrophobicContact CB-CD 4.42Å; C59-K68 VanDerWaalsContact CB-CE 3.46Å; C59-K68 HydrophobicContact CB-CG 4.09Å; C59-K68 WeakPolarHBondContact SG-CE 3.45Å; F61-K68 HydrophobicContact CD1-CB 3.9Å; F61-K68 HydrophobicContact CD1-CG 4.31Å; F61-K68 HydrophobicContact CE1-CB 3.54Å; F61-K68 HydrophobicContact CE1-CD 4.13Å; F61-K68 HydrophobicContact CE1-CG 3.74Å; F61-K68 HydrophobicContact CZ-CB 4.22Å; F61-K68 HydrophobicContact CZ-CD 4.03Å; F61-K68 HydrophobicContact CZ-CG 3.9Å; K66-K68 PolarHBondContact O-N 3.19Å |
| 69 | L | 92.3 | Very high | 87.7 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 37% | 0.372 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.7 | 179.1 | -60 | 179.7 | 0 | 0 | 0 | 110.3 | C59 Y60 T62 | C59-L69 CarbonylContact C-O 3.58Å; C59-L69 VanDerWaalsContact CA-O 3.26Å; C59-L69 WeakPolarHBondContact CA-O 3.39Å; Y60-L69 HydrophobicContact CD2-CB 3.9Å; Y60-L69 HydrophobicContact CD2-CD1 4.28Å; Y60-L69 HydrophobicContact CE1-CB 4.21Å; Y60-L69 HydrophobicContact CE2-CB 3.5Å; Y60-L69 HydrophobicContact CE2-CD1 3.61Å; Y60-L69 HydrophobicContact CE2-CG 4.17Å; Y60-L69 HydrophobicContact CG-CB 4.41Å; Y60-L69 PolarHBondContact N-O 3.35Å; Y60-L69 PolarHBondContact O-N 2.91Å; T62-L69 HydrophobicContact CG2-CD1 3.51Å; T62-L69 HydrophobicContact CG2-CG 4.17Å |
| 70 | K | 91.6 | Very high | 85.9 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 38% | 0.378 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 130.5 | 173.8 | -163.9 | 175.1 | -171.1 | -160.1 | 0 | 108.9 | F55 | F55-K70 HydrophobicContact CB-CD 3.8Å; F55-K70 VanDerWaalsContact CB-CE 3.47Å; F55-K70 HydrophobicContact CB-CG 4.27Å; F55-K70 VanDerWaalsContact CB-NZ 3.34Å; F55-K70 HydrophobicContact CD1-CB 4.16Å; F55-K70 HydrophobicContact CD1-CD 3.53Å; F55-K70 HydrophobicContact CD1-CG 3.82Å; F55-K70 HydrophobicContact CD2-CD 4.42Å; F55-K70 HydrophobicContact CE1-CB 4.48Å; F55-K70 HydrophobicContact CE1-CD 4.17Å; F55-K70 HydrophobicContact CG-CD 3.67Å; F55-K70 HydrophobicContact CG-CG 4.31Å |
| 71 | D | 89.3 | Confident | 84 | Confident | 50 Ų | 50 | 97 Ų | 97 | 27% | 0.267 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 147.5 | 179.9 | -63.6 | -18.5 | 0 | 0 | 0 | 110.5 | F55 T56 Y60 R91 | F55-D71 CarbonylContact C-O 3.54Å; F55-D71 WeakPolarHBondContact CA-O 3.26Å; T56-D71 PolarHBondContact N-O 3.28Å; Y60-D71 VanDerWaalsContact CE1-OD1 3.29Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.37Å; Y60-D71 PolarHBondContact OH-OD1 2.78Å; D71-R91 IonicContact OD2-NH1 3.58Å; D71-R91 PolarHBondContact OD2-NH1 3.09Å |
| 72 | I | 87.1 | Confident | 82 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.6 | 171.2 | 58.7 | 168.1 | 0 | 0 | 0 | 109.7 | V53 D54 F55 | V53-I72 HydrophobicContact CB-CB 4.47Å; V53-I72 HydrophobicContact CG2-CB 4.43Å; V53-I72 HydrophobicContact CG2-CD1 4.2Å; D54-I72 CarbonylContact O-C 3.53Å; D54-I72 VanDerWaalsContact O-CA 3.29Å; D54-I72 WeakPolarHBondContact O-CA 3.38Å; F55-I72 HydrophobicContact CD1-CG2 3.53Å; F55-I72 HydrophobicContact CE1-CG2 3.8Å; F55-I72 HydrophobicContact CG-CG2 4.44Å |
| 73 | A | 88.8 | Confident | 80.1 | Confident | 24 Ų | 24 | 94.9 Ų | 94.9 | 20% | 0.198 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 153 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V53 D54 T56 L75 C78 | V53-A73 CarbonylContact C-O 3.57Å; V53-A73 WeakPolarHBondContact CA-O 3.24Å; V53-A73 WeakPolarHBondContact CB-O 3.11Å; D54-A73 PolarHBondContact N-O 2.73Å; D54-A73 PolarHBondContact O-N 2.82Å; T56-A73 HydrophobicContact CG2-CB 3.33Å; A73-L75 PolarHBondContact O-N 2.97Å; A73-C78 VanDerWaalsContact CB-SG 3.55Å |
| 74 | C | 90.3 | Very high | 78.1 | Confident | 12 Ų | 12 | 86.3 Ų | 86.3 | 8% | 0.081 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 124.3 | 178.7 | 178 | 0 | 0 | 0 | 0 | 111.6 | C18 C21 Q23 L25 A52 K76 W77 C78 | C18-C74 HydrophobicContact CB-CB 4.11Å; C21-C74 PolarHBondContact SG-SG 2.86Å; Q23-C74 PolarHBondContact OE1-SG 2.77Å; Q23-C74 VanDerWaalsContact OE1-SG 3.41Å; L25-C74 HydrophobicContact CD2-CB 4.04Å; A52-C74 WeakPolarHBondContact O-CA 3.43Å; C74-K76 PolarHBondContact O-N 3.44Å; C74-W77 PolarHBondContact O-N 2.92Å; C74-C78 VanDerWaalsContact O-CB 3.29Å; C74-C78 WeakPolarHBondContact O-CB 3.34Å; C74-C78 PolarHBondContact O-N 2.65Å; C74-C78 PolarHBondContact O-SG 3.25Å; C74-C78 VanDerWaalsContact O-SG 3.33Å |
| 75 | L | 86.8 | Confident | 76.1 | Confident | 39 Ų | 39 | 84.9 Ų | 84.9 | 20% | 0.204 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | -176 | -74.5 | 177.5 | 0 | 0 | 0 | 113.1 | A52 D54 A73 W77 K79 | A52-L75 PolarHBondContact O-N 2.85Å; D54-L75 HydrophobicContact CB-CD1 4.18Å; D54-L75 HydrophobicContact CB-CD2 3.42Å; D54-L75 VanDerWaalsContact CB-CD2 3.42Å; D54-L75 HydrophobicContact CB-CG 3.93Å; A73-L75 PolarHBondContact O-N 2.97Å; L75-W77 VanDerWaalsContact C-N 3.35Å; L75-W77 PolarHBondContact O-N 3.43Å; L75-K79 WeakPolarHBondContact O-CB 3.29Å; L75-K79 VanDerWaalsContact O-CG 3.24Å; L75-K79 WeakPolarHBondContact O-CG 3.15Å; L75-K79 PolarHBondContact O-N 3.41Å; L75-K79 VanDerWaalsContact O-N 3.09Å |
| 76 | K | 84.6 | Confident | 74 | Confident | 119 Ų | 119 | 86.3 Ų | 86.3 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -32.9 | -176.2 | -175.1 | 177.5 | -174.5 | -178.5 | 0 | 113.3 | C21 Q23 C74 | C21-K76 HydrophobicContact CB-CD 4.18Å; C21-K76 HydrophobicContact CB-CG 4.25Å; Q23-K76 HydrophobicContact CB-CD 4.32Å; C74-K76 PolarHBondContact O-N 3.44Å |
| 77 | W | 74.1 | Confident | 71.9 | Confident | 61 Ų | 61 | 80.3 Ų | 80.3 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -83.9 | -42.3 | 176.2 | -172.9 | -99.8 | 0 | 0 | 0 | 111.8 | F20 C21 C74 L75 K79 R80 | F20-W77 HydrophobicContact CB-CD2 3.52Å; F20-W77 HydrophobicContact CB-CE3 3.6Å; F20-W77 HydrophobicContact CB-CG 3.97Å; F20-W77 HydrophobicContact CB-CH2 4.25Å; F20-W77 HydrophobicContact CB-CZ2 4.2Å; F20-W77 HydrophobicContact CB-CZ3 3.97Å; F20-W77 HydrophobicContact CD1-CH2 4.46Å; F20-W77 HydrophobicContact CD1-CZ2 4.03Å; F20-W77 HydrophobicContact CG-CD2 4.12Å; F20-W77 AromaticContact CG-CE2 3.97Å; F20-W77 HydrophobicContact CG-CG 4.44Å; F20-W77 HydrophobicContact CG-CZ2 4.29Å; C21-W77 HydrophobicContact CB-CB 4.44Å; C21-W77 HydrophobicContact CB-CE3 4.32Å; C74-W77 PolarHBondContact O-N 2.92Å; L75-W77 VanDerWaalsContact C-N 3.35Å; L75-W77 PolarHBondContact O-N 3.43Å; W77-K79 VanDerWaalsContact C-N 3.31Å; W77-K79 PolarHBondContact O-N 3.5Å; W77-R80 PolarHBondContact O-N 3.44Å |
| 78 | C | 69.4 | Low | 69.7 | Low | 55 Ų | 55 | 86.1 Ų | 86.1 | 37% | 0.372 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.5 | -22.3 | -176.6 | -70.5 | 0 | 0 | 0 | 0 | 114.2 | A73 C74 R80 | A73-C78 VanDerWaalsContact CB-SG 3.55Å; C74-C78 VanDerWaalsContact O-CB 3.29Å; C74-C78 WeakPolarHBondContact O-CB 3.34Å; C74-C78 PolarHBondContact O-N 2.65Å; C74-C78 PolarHBondContact O-SG 3.25Å; C74-C78 VanDerWaalsContact O-SG 3.33Å; C78-R80 VanDerWaalsContact C-N 3.27Å; C78-R80 PolarHBondContact O-N 3.09Å |
| 79 | K | 62.7 | Low | 67.2 | Low | 166 Ų | 166 | 84.1 Ų | 84.1 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.4 | 176.6 | -72.5 | -176.1 | -178.9 | -172.1 | 0 | 114.7 | L75 W77 | L75-K79 WeakPolarHBondContact O-CB 3.29Å; L75-K79 VanDerWaalsContact O-CG 3.24Å; L75-K79 WeakPolarHBondContact O-CG 3.15Å; L75-K79 PolarHBondContact O-N 3.41Å; L75-K79 VanDerWaalsContact O-N 3.09Å; W77-K79 VanDerWaalsContact C-N 3.31Å; W77-K79 PolarHBondContact O-N 3.5Å |
| 80 | R | 56.3 | Low | 65 | Low | 134 Ų | 134 | 89.9 Ų | 89.9 | 51% | 0.506 | 45% | 0.446 | S | S | . | . | trans | -85.4 | 122.6 | 176.4 | -77.3 | -178.2 | -179 | -161.1 | -3.1 | 110.2 | W77 C78 T82 S83 G84 | W77-R80 PolarHBondContact O-N 3.44Å; C78-R80 VanDerWaalsContact C-N 3.27Å; C78-R80 PolarHBondContact O-N 3.09Å; R80-T82 PolarHBondContact O-N 3.39Å; R80-S83 WeakPolarHBondContact CB-OG 3.29Å; R80-S83 PolarHBondContact O-N 3.33Å; R80-S83 PolarHBondContact O-OG 3.05Å; R80-G84 PolarHBondContact O-N 2.96Å | ||
| 81 | P | 53.1 | Low | 62.8 | Low | 119 Ų | 119 | 91.8 Ų | 91.8 | 77% | 0.773 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.3 | -171.2 | 21.5 | -31.2 | 0 | 0 | 0 | 114.2 | ||
| 82 | T | 53.5 | Low | 60.3 | Low | 120 Ų | 120 | 97 Ų | 97 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -14.5 | 179.6 | 44.5 | 0 | 0 | 0 | 0 | 114.6 | R80 | R80-T82 PolarHBondContact O-N 3.39Š|
| 83 | S | 50.2 | Low | 57.8 | Low | 9 Ų | 9 | 102.6 Ų | 102.6 | 6% | 0.063 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -0.6 | -176.5 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | R80 Q85 | R80-S83 WeakPolarHBondContact CB-OG 3.29Å; R80-S83 PolarHBondContact O-N 3.33Å; R80-S83 PolarHBondContact O-OG 3.05Å; S83-Q85 VanDerWaalsContact C-N 3.33Å |
| 84 | G | 49.9 | Very low | 55.4 | Low | 31 Ų | 31 | 115 Ų | 115 | 32% | 0.32 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -30.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R80 | R80-G84 PolarHBondContact O-N 2.96Š|
| 85 | Q | 47 | Very low | 53.6 | Low | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -46.6 | 172.8 | -99.4 | 95.9 | -9 | 0 | 0 | 112.5 | S83 A87 R88 D89 | S83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-A87 VanDerWaalsContact C-N 3.26Å; Q85-A87 PolarHBondContact O-N 3.41Å; Q85-R88 WeakPolarHBondContact O-CB 3.32Å; Q85-R88 PolarHBondContact O-N 2.85Å; Q85-D89 PolarHBondContact O-N 3.34Å |
| 86 | L | 47.1 | Very low | 51.9 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -29.1 | -177 | -81.7 | 159.6 | 0 | 0 | 0 | 114 | R88 | L86-R88 VanDerWaalsContact C-N 3.33Å |
| 87 | A | 48.6 | Very low | 50.1 | Low | 41 Ų | 41 | 124.7 Ų | 124.7 | 34% | 0.339 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.8 | -14.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q85 | Q85-A87 VanDerWaalsContact C-N 3.26Å; Q85-A87 PolarHBondContact O-N 3.41Å |
| 88 | R | 48 | Very low | 48.7 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -85 | -40.9 | 171.1 | -71.2 | -172.7 | 180 | 167.1 | 1.4 | 111.3 | Q85 L86 R90 R91 | Q85-R88 WeakPolarHBondContact O-CB 3.32Å; Q85-R88 PolarHBondContact O-N 2.85Å; L86-R88 VanDerWaalsContact C-N 3.33Å; R88-R90 VanDerWaalsContact C-N 3.31Å; R88-R90 PolarHBondContact O-N 3.17Å; R88-R91 WeakPolarHBondContact O-CB 3.42Å; R88-R91 PolarHBondContact O-N 2.85Å |
| 89 | D | 40.1 | Very low | 47.4 | Very low | 97 Ų | 97 | 133 Ų | 133 | 52% | 0.519 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.2 | -32.4 | -179.2 | -75 | -18.6 | 0 | 0 | 0 | 113.8 | Q85 R91 E92 | Q85-D89 PolarHBondContact O-N 3.34Å; D89-R91 PolarHBondContact O-N 3.36Å; D89-E92 PolarHBondContact O-N 2.81Å |
| 90 | R | 45.7 | Very low | 46.3 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -10.6 | 174.8 | -91.6 | -170.2 | -177 | -177.1 | 2.3 | 114.8 | R88 E92 | R88-R90 VanDerWaalsContact C-N 3.31Å; R88-R90 PolarHBondContact O-N 3.17Å; R90-E92 VanDerWaalsContact C-N 3.33Å |
| 91 | R | 47.2 | Very low | 45.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -11.5 | 176.8 | -109.3 | -173.9 | -71.5 | -150.7 | -2.8 | 112.8 | T56 D71 R88 D89 Y93 | T56-R91 PolarHBondContact OG1-NH1 3.14Å; D71-R91 IonicContact OD2-NH1 3.58Å; D71-R91 PolarHBondContact OD2-NH1 3.09Å; R88-R91 WeakPolarHBondContact O-CB 3.42Å; R88-R91 PolarHBondContact O-N 2.85Å; D89-R91 PolarHBondContact O-N 3.36Å; R91-Y93 VanDerWaalsContact C-N 3.28Å; R91-Y93 PolarHBondContact O-N 2.91Å |
| 92 | E | 36.6 | Very low | 45.1 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -1.8 | -178 | -155.8 | 155.6 | -164.4 | 0 | 0 | 113.4 | D89 R90 | D89-E92 PolarHBondContact O-N 2.81Å; R90-E92 VanDerWaalsContact C-N 3.33Å |
| 93 | Y | 34.3 | Very low | 44.4 | Very low | 213 Ų | 213 | 132.4 Ų | 132.4 | 84% | 0.835 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 25.7 | 178.3 | -71.3 | -80.8 | 0 | 0 | 0 | 114.3 | R91 | R91-Y93 VanDerWaalsContact C-N 3.28Å; R91-Y93 PolarHBondContact O-N 2.91Å |
| 94 | R | 37.6 | Very low | 43.8 | Very low | 283 Ų | 283 | 143.6 Ų | 143.6 | 100% | 1.068 | 63% | 0.633 | S | S | * | * | trans | -129.5 | 0 | 169.9 | -93.6 | -170.6 | 176.6 | -173.9 | -3.6 | 111.9 |
Retrieved 94 of 94 residues in 39.7 ms
(Link to these results)