| 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 | 34.1 | Very low | 44.5 | Very low | 197 Ų | 197 | 123.1 Ų | 123.1 | 97% | 0.97 | 66% | 0.663 | S | S | * | * | 0 | 96.9 | 0 | -127.4 | -176.8 | -78 | 0 | 0 | 108.2 | |||||
| 2 | H | 28.9 | Very low | 45.1 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | trans | -89.4 | 116.8 | 175.2 | -163.7 | 29.4 | 0 | 0 | 0 | 106.8 | E4 | H2-E4 IonicContact CD2-OE1 3.41Å; H2-E4 PolarHBondContact CD2-OE1 3.3Å; H2-E4 IonicContact NE2-OE1 3.82Å; H2-E4 PolarHBondContact O-N 2.9Å | ||
| 3 | I | 37.9 | Very low | 46.1 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 82% | 0.821 | 68% | 0.68 | S | S | * | * | trans | -87.7 | 95.4 | 172.8 | -61.2 | 171.4 | 0 | 0 | 0 | 105.8 | ||||
| 4 | E | 36.3 | Very low | 47.2 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | trans | -80.4 | 138.8 | 170.1 | -70.4 | -173.5 | 173.8 | 0 | 0 | 109.4 | H2 I6 | H2-E4 IonicContact CD2-OE1 3.41Å; H2-E4 PolarHBondContact CD2-OE1 3.3Å; H2-E4 IonicContact NE2-OE1 3.82Å; H2-E4 PolarHBondContact O-N 2.9Å; E4-I6 PolarHBondContact O-N 3.19Å | ||
| 5 | S | 44.9 | Very low | 48.2 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | trans | -64.7 | 107.3 | 166.6 | 171.1 | 0 | 0 | 0 | 0 | 107.6 | G7 | S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 3.38Å | ||
| 6 | I | 47.4 | Very low | 49.6 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 35% | 0.354 | 65% | 0.646 | S | S | . | * | trans | -59.7 | 87.6 | 174.6 | -61.9 | 177.5 | 0 | 0 | 0 | 107.9 | E4 E8 F9 V32 | E4-I6 PolarHBondContact O-N 3.19Å; I6-E8 PolarHBondContact O-N 3.19Å; I6-F9 HydrophobicContact CB-CD2 4.15Å; I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CG2-CB 3.67Å; I6-F9 HydrophobicContact CG2-CD2 3.08Å; I6-F9 HydrophobicContact CG2-CE2 3.78Å; I6-F9 HydrophobicContact CG2-CG 3.54Å; I6-V32 HydrophobicContact CD1-CG2 3.71Å | ||
| 7 | G | 42.5 | Very low | 51.3 | Low | 55 Ų | 55 | 121.4 Ų | 121.4 | 57% | 0.567 | 61% | 0.61 | S | S | * | * | trans | -65.1 | 129.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S5 F9 | S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 3.38Å; G7-F9 VanDerWaalsContact O-CD2 3.27Å; G7-F9 WeakPolarHBondContact O-CD2 3.2Å; G7-F9 PolarHBondContact O-N 3.39Å | ||
| 8 | E | 51.4 | Low | 52.4 | Low | 200 Ų | 200 | 125.2 Ų | 125.2 | 94% | 0.935 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 14.8 | 57 | 178.2 | -65.8 | -169.5 | 167 | 0 | 0 | 116.3 | I6 | I6-E8 PolarHBondContact O-N 3.19Š|
| 9 | F | 55.3 | Low | 53.3 | Low | 55 Ų | 55 | 122.7 Ų | 122.7 | 24% | 0.241 | 60% | 0.601 | C | S | . | * | trans | -66.1 | 142.1 | 163.7 | -87.1 | -108.6 | 0 | 0 | 0 | 106.9 | I6 G7 L11 I66 F73 | I6-F9 HydrophobicContact CB-CD2 4.15Å; I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CG2-CB 3.67Å; I6-F9 HydrophobicContact CG2-CD2 3.08Å; I6-F9 HydrophobicContact CG2-CE2 3.78Å; I6-F9 HydrophobicContact CG2-CG 3.54Å; G7-F9 VanDerWaalsContact O-CD2 3.27Å; G7-F9 WeakPolarHBondContact O-CD2 3.2Å; G7-F9 PolarHBondContact O-N 3.39Å; F9-L11 HydrophobicContact CB-CG 4.4Å; F9-L11 PolarHBondContact O-N 3.33Å; F9-I66 HydrophobicContact CD1-CD1 3.73Å; F9-I66 HydrophobicContact CE1-CD1 3.39Å; F9-I66 HydrophobicContact CZ-CD1 4.49Å; F9-F73 AromaticContact CD1-CE1 3.86Å; F9-F73 HydrophobicContact CD1-CE1 3.86Å; F9-F73 AromaticContact CD1-CZ 3.68Å; F9-F73 HydrophobicContact CD1-CZ 3.68Å; F9-F73 AromaticContact CE1-CE1 3.98Å; F9-F73 HydrophobicContact CE1-CE1 3.98Å; F9-F73 AromaticContact CE1-CZ 3.58Å; F9-F73 HydrophobicContact CE1-CZ 3.58Å | ||
| 10 | P | 56.1 | Low | 53.9 | Low | 107 Ų | 107 | 125.3 Ų | 125.3 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | -67 | 75.7 | 172.7 | 27.9 | -32.9 | 0 | 0 | 0 | 109.4 | I12 | P10-I12 PolarHBondContact O-N 3.09Š| ||
| 11 | L | 55 | Low | 54.6 | Low | 94 Ų | 94 | 126.3 Ų | 126.3 | 49% | 0.492 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | 3.6 | -176.6 | -82.2 | 162.8 | 0 | 0 | 0 | 113.3 | F9 E13 L14 | F9-L11 HydrophobicContact CB-CG 4.4Å; F9-L11 PolarHBondContact O-N 3.33Å; L11-E13 PolarHBondContact O-N 3.02Å; L11-L14 HydrophobicContact CD2-CB 4.43Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L14 PolarHBondContact O-N 3.48Å |
| 12 | I | 51.4 | Low | 56.3 | Low | 155 Ų | 155 | 119.9 Ų | 119.9 | 80% | 0.795 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -31.9 | -170.6 | -62.5 | 173.9 | 0 | 0 | 0 | 110.7 | P10 | P10-I12 PolarHBondContact O-N 3.09Š|
| 13 | E | 58.7 | Low | 58.7 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -88.5 | -26.8 | 178.4 | -65.3 | -153.1 | 151.2 | 0 | 0 | 114.3 | L11 R15 | L11-E13 PolarHBondContact O-N 3.02Å; E13-R15 PolarHBondContact O-N 3.38Å |
| 14 | L | 61 | Low | 60.7 | Low | 24 Ų | 24 | 115.4 Ų | 115.4 | 13% | 0.126 | 58% | 0.581 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 8.6 | -178.6 | -57.6 | -172.3 | 0 | 0 | 0 | 113.9 | L11 R16 V27 V30 F73 L75 | L11-L14 HydrophobicContact CD2-CB 4.43Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L14 PolarHBondContact O-N 3.48Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.66Å; L14-V27 WeakPolarHBondContact O-CG2 3.13Å; L14-V30 HydrophobicContact CD1-CG1 4.4Å; L14-F73 HydrophobicContact CD1-CB 4.22Å; L14-F73 HydrophobicContact CD1-CD1 3.55Å; L14-F73 HydrophobicContact CD1-CE1 4.13Å; L14-F73 HydrophobicContact CD1-CG 3.97Å; L14-L75 HydrophobicContact CB-CD2 4.08Å; L14-L75 HydrophobicContact CD1-CD2 4.18Å; L14-L75 HydrophobicContact CD2-CD1 4.28Å; L14-L75 HydrophobicContact CD2-CD2 3.99Å; L14-L75 HydrophobicContact CG-CD2 4.3Å |
| 15 | R | 62.7 | Low | 63.1 | Low | 207 Ų | 207 | 109.7 Ų | 109.7 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -17.3 | -176.5 | -164 | 171.8 | 179.3 | 175.8 | 1.2 | 113.1 | E13 | E13-R15 PolarHBondContact O-N 3.38Š|
| 16 | R | 70.8 | Confident | 65.1 | Low | 159 Ų | 159 | 113 Ų | 113 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.3 | -174.1 | -70.4 | 174.5 | 175 | 176.4 | -1.9 | 110.3 | L14 Q24 | L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.66Å; R16-Q24 VanDerWaalsContact CD-OE1 3.27Å; R16-Q24 VanDerWaalsContact NE-OE1 3.08Å |
| 17 | M | 77.5 | Confident | 67.2 | Low | 5 Ų | 5 | 111.1 Ų | 111.1 | 3% | 0.025 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.2 | 168.4 | -179 | -171.4 | -172.9 | 0 | 0 | 108.5 | L25 V27 V58 E60 H77 | M17-L25 HydrophobicContact CB-CB 4.12Å; M17-L25 HydrophobicContact CG-CB 4.44Å; M17-L25 PolarHBondContact N-O 2.9Å; M17-L25 PolarHBondContact O-N 3.5Å; M17-L25 HydrophobicContact SD-CB 4.18Å; M17-L25 HydrophobicContact SD-CD1 4.07Å; M17-V27 HydrophobicContact CB-CG2 4Å; M17-V58 HydrophobicContact CE-CB 3.85Å; M17-V58 HydrophobicContact CE-CG1 3.39Å; M17-V58 WeakPolarHBondContact CE-O 3.33Å; M17-V58 HydrophobicContact SD-CB 4.44Å; M17-V58 HydrophobicContact SD-CG1 4.38Å; M17-E60 WeakPolarHBondContact CA-OE2 3.39Å; M17-E60 HydrophobicContact CE-CB 3.61Å; M17-E60 HydrophobicContact CG-CB 3.79Å; M17-E60 WeakPolarHBondContact CG-OE2 3.25Å; M17-E60 HydrophobicContact SD-CB 4.46Å; M17-H77 HydrophobicContact SD-CB 3.55Å; M17-H77 VanDerWaalsContact SD-CB 3.55Å |
| 18 | R | 71 | Confident | 69.5 | Low | 189 Ų | 189 | 111.1 Ų | 111.1 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.2 | -178.4 | -173.3 | -179.5 | 67.3 | -178.4 | -0.3 | 109.8 | E60 | R18-E60 PolarHBondContact N-OE2 2.71Å |
| 19 | K | 69.9 | Low | 71.4 | Confident | 79 Ų | 79 | 109.5 Ų | 109.5 | 34% | 0.343 | 51% | 0.514 | S | S | . | . | trans | -73.3 | 149 | 167.9 | -160.7 | -178.4 | -178.5 | -153 | 0 | 109.7 | E21 G22 E23 L25 | K19-E21 WeakPolarHBondContact CE-OE2 3.4Å; K19-E21 IonicContact NZ-OE2 2.92Å; K19-E21 PolarHBondContact NZ-OE2 2.79Å; K19-E21 PolarHBondContact O-N 3.08Å; K19-G22 PolarHBondContact O-N 2.95Å; K19-E23 HydrophobicContact CB-CB 4.43Å; K19-E23 PolarHBondContact N-O 2.76Å; K19-E23 VanDerWaalsContact N-O 3.1Å; K19-L25 HydrophobicContact CB-CD1 4.16Å; K19-L25 HydrophobicContact CB-CG 4.49Å; K19-L25 HydrophobicContact CD-CD1 4.36Å; K19-L25 HydrophobicContact CG-CD1 4.49Å | ||
| 20 | N | 65.9 | Low | 73.1 | Confident | 173 Ų | 173 | 109 Ų | 109 | 93% | 0.925 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.3 | 176.5 | -69.1 | -27.8 | 0 | 0 | 0 | 114 | ||
| 21 | E | 68 | Low | 74.8 | Confident | 147 Ų | 147 | 106.4 Ų | 106.4 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 9.7 | -179.2 | -63.6 | 175.6 | 154.3 | 0 | 0 | 113.6 | K19 E23 | K19-E21 WeakPolarHBondContact CE-OE2 3.4Å; K19-E21 IonicContact NZ-OE2 2.92Å; K19-E21 PolarHBondContact NZ-OE2 2.79Å; K19-E21 PolarHBondContact O-N 3.08Å; E21-E23 PolarHBondContact O-N 2.58Å |
| 22 | G | 69.7 | Low | 76.4 | Confident | 62 Ų | 62 | 104.4 Ų | 104.4 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 78.4 | -2.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K19 | K19-G22 PolarHBondContact O-N 2.95Š|
| 23 | E | 78.3 | Confident | 78.2 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | trans | -71.9 | 132.1 | 172.8 | -168.8 | 172.5 | -156 | 0 | 0 | 110.8 | K19 E21 L25 | K19-E23 HydrophobicContact CB-CB 4.43Å; K19-E23 PolarHBondContact N-O 2.76Å; K19-E23 VanDerWaalsContact N-O 3.1Å; E21-E23 PolarHBondContact O-N 2.58Å; E23-L25 HydrophobicContact CG-CD2 4.33Å | ||
| 24 | Q | 80.3 | Confident | 79.7 | Confident | 117 Ų | 117 | 94 Ų | 94 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113.5 | 175.9 | -69.3 | 177.7 | 4.3 | 0 | 0 | 109.1 | R16 | R16-Q24 VanDerWaalsContact CD-OE1 3.27Å; R16-Q24 VanDerWaalsContact NE-OE1 3.08Å |
| 25 | L | 86.8 | Confident | 80.9 | Confident | 19 Ų | 19 | 96.1 Ų | 96.1 | 10% | 0.099 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 146.1 | 177.8 | -59.6 | 172.9 | 0 | 0 | 0 | 110.3 | M17 K19 E23 V58 H77 | M17-L25 HydrophobicContact CB-CB 4.12Å; M17-L25 HydrophobicContact CG-CB 4.44Å; M17-L25 PolarHBondContact N-O 2.9Å; M17-L25 PolarHBondContact O-N 3.5Å; M17-L25 HydrophobicContact SD-CB 4.18Å; M17-L25 HydrophobicContact SD-CD1 4.07Å; K19-L25 HydrophobicContact CB-CD1 4.16Å; K19-L25 HydrophobicContact CB-CG 4.49Å; K19-L25 HydrophobicContact CD-CD1 4.36Å; K19-L25 HydrophobicContact CG-CD1 4.49Å; E23-L25 HydrophobicContact CG-CD2 4.33Å; L25-V58 HydrophobicContact CD1-CG1 4.25Å; L25-H77 HydrophobicContact CB-CB 4.2Å; L25-H77 HydrophobicContact CD1-CB 4.49Å |
| 26 | R | 88.3 | Confident | 81.7 | Confident | 189 Ų | 189 | 89.2 Ų | 89.2 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.9 | 172.6 | 172 | -170.1 | -74.2 | -91.7 | 4.7 | 108.6 | H77 | R26-H77 WeakPolarHBondContact O-CB 3.4Å; R26-H77 PolarHBondContact O-ND1 2.82Å |
| 27 | V | 90.2 | Very high | 82.2 | Confident | 28 Ų | 28 | 88.9 Ų | 88.9 | 17% | 0.17 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 121 | 168.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | L14 M17 Y29 V30 L75 | L14-V27 WeakPolarHBondContact O-CG2 3.13Å; M17-V27 HydrophobicContact CB-CG2 4Å; V27-Y29 VanDerWaalsContact CG1-O 3.26Å; V27-Y29 WeakPolarHBondContact CG1-O 3.49Å; V27-V30 HydrophobicContact CG1-CG2 3.63Å; V27-L75 HydrophobicContact CG1-CB 4.22Å; V27-L75 HydrophobicContact CG1-CD2 4.33Å; V27-L75 HydrophobicContact CG2-CB 4.12Å; V27-L75 HydrophobicContact CG2-CD1 4.32Å |
| 28 | D | 91.1 | Very high | 82 | Confident | 56 Ų | 56 | 93.9 Ų | 93.9 | 30% | 0.299 | 46% | 0.464 | S | S | . | . | trans | -95.4 | -38.4 | 178.1 | -63 | -62.4 | 0 | 0 | 0 | 111.2 | I76 H77 A78 | D28-I76 PolarHBondContact N-O 2.86Å; D28-H77 IonicContact OD2-ND1 3.59Å; D28-H77 PolarHBondContact OD2-ND1 2.66Å; D28-A78 PolarHBondContact OD2-N 3.07Å | ||
| 29 | Y | 91.8 | Very high | 82.2 | Confident | 165 Ų | 165 | 87.2 Ų | 87.2 | 65% | 0.647 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154.6 | 176.1 | -62.8 | -86.9 | 0 | 0 | 0 | 111.3 | V27 I76 | V27-Y29 VanDerWaalsContact CG1-O 3.26Å; V27-Y29 WeakPolarHBondContact CG1-O 3.49Å; Y29-I76 PolarHBondContact N-O 3.26Å; Y29-I76 PolarHBondContact O-N 2.97Å |
| 30 | V | 91.1 | Very high | 82.4 | Confident | 45 Ų | 45 | 92.4 Ų | 92.4 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.6 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | L14 V27 V32 F73 V74 L75 | L14-V30 HydrophobicContact CD1-CG1 4.4Å; V27-V30 HydrophobicContact CG1-CG2 3.63Å; V30-V32 HydrophobicContact CG1-CG2 4Å; V30-F73 HydrophobicContact CG1-CB 4.45Å; V30-F73 HydrophobicContact CG1-CD1 4.08Å; V30-V74 CarbonylContact C-O 3.55Å; V30-V74 WeakPolarHBondContact CA-O 3.43Å; V30-L75 HydrophobicContact CG1-CD2 4.1Å; V30-L75 HydrophobicContact CG2-CD2 3.86Å |
| 31 | L | 91.5 | Very high | 83.1 | Confident | 53 Ų | 53 | 88 Ų | 88 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 143.5 | 166.9 | -48 | 176.5 | 0 | 0 | 0 | 109 | F48 L52 F73 V74 I76 | L31-F48 HydrophobicContact CD1-CD1 4.49Å; L31-F48 HydrophobicContact CD1-CE1 3.88Å; L31-L52 HydrophobicContact CD1-CD1 4.38Å; L31-F73 CarbonylContact O-C 3.59Å; L31-F73 WeakPolarHBondContact O-CA 3.4Å; L31-V74 HydrophobicContact CB-CB 4.03Å; L31-V74 HydrophobicContact CB-CG2 4.38Å; L31-V74 HydrophobicContact CD1-CB 4.48Å; L31-V74 HydrophobicContact CG-CB 4.48Å; L31-V74 PolarHBondContact N-O 3.41Å; L31-V74 PolarHBondContact O-N 3.1Å; L31-I76 HydrophobicContact CD1-CD1 3.74Å; L31-I76 HydrophobicContact CD2-CD1 4.21Å; L31-I76 HydrophobicContact CG-CD1 3.66Å |
| 32 | V | 89 | Confident | 84 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.3 | 179 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | I6 V30 Y71 C72 F73 | I6-V32 HydrophobicContact CD1-CG2 3.71Å; V30-V32 HydrophobicContact CG1-CG2 4Å; V32-Y71 HydrophobicContact CG1-CD1 4.15Å; V32-C72 WeakPolarHBondContact CA-O 3.27Å; V32-F73 HydrophobicContact CB-CD1 4.47Å; V32-F73 HydrophobicContact CB-CE1 4.48Å; V32-F73 HydrophobicContact CG1-CD1 4.21Å; V32-F73 HydrophobicContact CG1-CE1 3.9Å; V32-F73 HydrophobicContact CG1-CZ 4.22Å; V32-F73 HydrophobicContact CG2-CD1 3.56Å; V32-F73 HydrophobicContact CG2-CE1 3.7Å |
| 33 | Y | 88.6 | Confident | 84.9 | Confident | 57 Ų | 57 | 88.3 Ų | 88.3 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.4 | 171.8 | 65 | -88.9 | 0 | 0 | 0 | 111.8 | I35 R45 Y71 C72 V74 | Y33-I35 HydrophobicContact CD2-CG1 4.49Å; Y33-I35 HydrophobicContact CE2-CG1 4.16Å; Y33-R45 VanDerWaalsContact CE1-CD 3.42Å; Y33-R45 VanDerWaalsContact CZ-CD 3.47Å; Y33-Y71 CarbonylContact O-C 3.57Å; Y33-Y71 WeakPolarHBondContact O-CA 3.36Å; Y33-C72 HydrophobicContact CD1-CB 3.94Å; Y33-C72 HydrophobicContact CD2-CB 4.08Å; Y33-C72 HydrophobicContact CE1-CB 3.41Å; Y33-C72 VanDerWaalsContact CE1-CB 3.41Å; Y33-C72 HydrophobicContact CE2-CB 3.57Å; Y33-C72 HydrophobicContact CG-CB 4.25Å; Y33-C72 VanDerWaalsContact CZ-SG 3.53Å; Y33-C72 PolarHBondContact N-O 3.05Å; Y33-C72 PolarHBondContact O-N 2.98Å; Y33-C72 WeakPolarHBondContact OH-CB 3.4Å; Y33-C72 PolarHBondContact OH-SG 2.98Å; Y33-V74 HydrophobicContact CD1-CG2 4.38Å; Y33-V74 HydrophobicContact CE1-CG2 3.79Å |
| 34 | N | 89.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 91 Ų | 91 | 22% | 0.219 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.3 | -179.1 | -174 | -27.2 | 0 | 0 | 0 | 110 | S36 K37 T69 K70 Y71 | N34-S36 WeakPolarHBondContact OD1-CA 3.22Å; N34-S36 WeakPolarHBondContact OD1-CB 3.36Å; N34-S36 PolarHBondContact OD1-N 3.04Å; N34-S36 PolarHBondContact OD1-OG 3.37Å; N34-K37 PolarHBondContact OD1-N 3.22Å; N34-T69 WeakPolarHBondContact ND2-CG2 3.05Å; N34-K70 PolarHBondContact OD1-O 2.8Å; N34-Y71 HydrophobicContact CB-CD1 4.2Å; N34-Y71 HydrophobicContact CB-CE1 4.06Å |
| 35 | I | 87.1 | Confident | 86.1 | Confident | 68 Ų | 68 | 87.8 Ų | 87.8 | 35% | 0.349 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -79.4 | -30.2 | 179.7 | -49.4 | 174.7 | 0 | 0 | 0 | 111 | Y33 K37 T63 K70 C72 | Y33-I35 HydrophobicContact CD2-CG1 4.49Å; Y33-I35 HydrophobicContact CE2-CG1 4.16Å; I35-K37 PolarHBondContact O-N 3.43Å; I35-T63 HydrophobicContact CD1-CG2 3.4Å; I35-T63 VanDerWaalsContact CD1-CG2 3.4Å; I35-K70 HydrophobicContact CB-CB 4.1Å; I35-K70 HydrophobicContact CD1-CB 4.45Å; I35-K70 PolarHBondContact N-O 2.94Å; I35-C72 HydrophobicContact CD1-CB 3.7Å; I35-C72 HydrophobicContact CG1-CB 3.76Å |
| 36 | S | 80.2 | Confident | 86.3 | Confident | 62 Ų | 62 | 90.5 Ų | 90.5 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -69.1 | -14.9 | -177.1 | 71.7 | 0 | 0 | 0 | 0 | 114 | N34 P38 | N34-S36 WeakPolarHBondContact OD1-CA 3.22Å; N34-S36 WeakPolarHBondContact OD1-CB 3.36Å; N34-S36 PolarHBondContact OD1-N 3.04Å; N34-S36 PolarHBondContact OD1-OG 3.37Å; S36-P38 WeakPolarHBondContact O-CD 3.46Å |
| 37 | K | 81 | Confident | 86.7 | Confident | 151 Ų | 151 | 88.8 Ų | 88.8 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -115.9 | 84.3 | 177.7 | -66.6 | -177.7 | -177.7 | 176.1 | 0 | 109.1 | N34 I35 S39 | N34-K37 PolarHBondContact OD1-N 3.22Å; I35-K37 PolarHBondContact O-N 3.43Å; K37-S39 PolarHBondContact O-N 3.21Å |
| 38 | P | 72.4 | Confident | 86.9 | Confident | 110 Ų | 110 | 91 Ų | 91 | 71% | 0.714 | 44% | 0.443 | S | S | * | . | trans | -56.4 | 128.8 | 174.8 | 24.4 | -33.1 | 0 | 0 | 0 | 108.6 | S36 | S36-P38 WeakPolarHBondContact O-CD 3.46Š| ||
| 39 | S | 75.3 | Confident | 87.1 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | trans | -116.7 | 154.8 | -175.8 | 73.9 | 0 | 0 | 0 | 0 | 109 | K37 D41 D42 | K37-S39 PolarHBondContact O-N 3.21Å; S39-D41 PolarHBondContact O-N 3.05Å; S39-D41 PolarHBondContact OG-N 2.86Å; S39-D42 PolarHBondContact O-N 3.34Å; S39-D42 PolarHBondContact OG-OD1 2.92Å | ||
| 40 | H | 73.7 | Confident | 87.3 | Confident | 188 Ų | 188 | 85 Ų | 85 | 87% | 0.87 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -4.7 | 170.2 | -72 | -72.3 | 0 | 0 | 0 | 113.5 | ||
| 41 | D | 82.5 | Confident | 87.6 | Confident | 80 Ų | 80 | 87.1 Ų | 87.1 | 43% | 0.428 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 6.2 | -179.6 | -62.7 | -36.1 | 0 | 0 | 0 | 113.1 | S39 E43 R44 R45 | S39-D41 PolarHBondContact O-N 3.05Å; S39-D41 PolarHBondContact OG-N 2.86Å; D41-E43 PolarHBondContact O-N 3.03Å; D41-R44 PolarHBondContact O-N 2.81Å; D41-R44 VanDerWaalsContact O-N 3.15Å; D41-R44 IonicContact OD1-CZ 3.32Å; D41-R44 IonicContact OD1-NH1 3.02Å; D41-R44 PolarHBondContact OD1-NH1 2.72Å; D41-R45 PolarHBondContact O-N 3.17Å |
| 42 | D | 86.3 | Confident | 87.8 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | -179.8 | -68.7 | -16.6 | 0 | 0 | 0 | 111.7 | S39 R44 R45 D46 | S39-D42 PolarHBondContact O-N 3.34Å; S39-D42 PolarHBondContact OG-OD1 2.92Å; D42-R44 VanDerWaalsContact C-N 3.29Å; D42-R44 PolarHBondContact O-N 3.26Å; D42-R45 VanDerWaalsContact CG-NH2 3.32Å; D42-R45 WeakPolarHBondContact O-CB 3.35Å; D42-R45 PolarHBondContact O-N 2.8Å; D42-R45 IonicContact OD1-CZ 3.38Å; D42-R45 IonicContact OD1-NH1 2.75Å; D42-R45 PolarHBondContact OD1-NH1 3.31Å; D42-R45 IonicContact OD1-NH2 2.76Å; D42-R45 PolarHBondContact OD1-NH2 3.27Å; D42-D46 VanDerWaalsContact O-CG 3.31Å; D42-D46 PolarHBondContact O-N 2.85Å |
| 43 | E | 88.7 | Confident | 88.2 | Confident | 166 Ų | 166 | 87.1 Ų | 87.1 | 78% | 0.776 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.6 | -34.3 | 174.9 | -65.4 | 178.6 | 178.9 | 0 | 0 | 112.8 | D41 F47 | D41-E43 PolarHBondContact O-N 3.03Å; E43-F47 WeakPolarHBondContact O-CB 3.46Å; E43-F47 PolarHBondContact O-N 3.38Å |
| 44 | R | 90.9 | Very high | 88.6 | Confident | 164 Ų | 164 | 91 Ų | 91 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.5 | -34.3 | 178.8 | -67.6 | -176 | 179 | 106.8 | 10.1 | 111.7 | D41 D42 F48 | D41-R44 PolarHBondContact O-N 2.81Å; D41-R44 VanDerWaalsContact O-N 3.15Å; D41-R44 IonicContact OD1-CZ 3.32Å; D41-R44 IonicContact OD1-NH1 3.02Å; D41-R44 PolarHBondContact OD1-NH1 2.72Å; D42-R44 VanDerWaalsContact C-N 3.29Å; D42-R44 PolarHBondContact O-N 3.26Å; R44-F48 VanDerWaalsContact O-CB 3.28Å; R44-F48 WeakPolarHBondContact O-CB 3.36Å; R44-F48 PolarHBondContact O-N 3.02Å |
| 45 | R | 92.1 | Very high | 88.9 | Confident | 50 Ų | 50 | 92.3 Ų | 92.3 | 19% | 0.189 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68 | -48.3 | 175.6 | 177.1 | -174.7 | 58.8 | -108.2 | -4.3 | 110 | Y33 D41 D42 F47 F48 E49 | Y33-R45 VanDerWaalsContact CE1-CD 3.42Å; Y33-R45 VanDerWaalsContact CZ-CD 3.47Å; D41-R45 PolarHBondContact O-N 3.17Å; D42-R45 VanDerWaalsContact CG-NH2 3.32Å; D42-R45 WeakPolarHBondContact O-CB 3.35Å; D42-R45 PolarHBondContact O-N 2.8Å; D42-R45 IonicContact OD1-CZ 3.38Å; D42-R45 IonicContact OD1-NH1 2.75Å; D42-R45 PolarHBondContact OD1-NH1 3.31Å; D42-R45 IonicContact OD1-NH2 2.76Å; D42-R45 PolarHBondContact OD1-NH2 3.27Å; R45-F47 VanDerWaalsContact C-N 3.33Å; R45-F47 PolarHBondContact O-N 3.33Å; R45-F48 WeakPolarHBondContact O-CB 3.43Å; R45-F48 PolarHBondContact O-N 3.05Å; R45-E49 WeakPolarHBondContact CD-OE1 3.48Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 VanDerWaalsContact CG-OE1 3.27Å; R45-E49 WeakPolarHBondContact CG-OE1 3.36Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 2.75Å |
| 46 | D | 92.4 | Very high | 89.2 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | -180 | -61.9 | -7.4 | 0 | 0 | 0 | 109.9 | D42 F48 E49 D50 | D42-D46 VanDerWaalsContact O-CG 3.31Å; D42-D46 PolarHBondContact O-N 2.85Å; D46-F48 VanDerWaalsContact C-N 3.3Å; D46-F48 PolarHBondContact O-N 2.91Å; D46-E49 PolarHBondContact O-N 3.23Å; D46-D50 WeakPolarHBondContact O-CB 3.26Å; D46-D50 VanDerWaalsContact O-CG 3.24Å; D46-D50 PolarHBondContact O-N 2.71Å |
| 47 | F | 94.8 | Very high | 89.9 | Confident | 153 Ų | 153 | 88.9 Ų | 88.9 | 67% | 0.671 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -58.2 | -39 | 173.5 | -178.7 | -94 | 0 | 0 | 0 | 113.6 | E43 R45 H51 | E43-F47 WeakPolarHBondContact O-CB 3.46Å; E43-F47 PolarHBondContact O-N 3.38Å; R45-F47 VanDerWaalsContact C-N 3.33Å; R45-F47 PolarHBondContact O-N 3.33Å; F47-H51 WeakPolarHBondContact O-CB 3.48Å; F47-H51 PolarHBondContact O-N 2.91Å; F47-H51 VanDerWaalsContact O-N 3.09Å |
| 48 | F | 95 | Very high | 90.5 | Very high | 74 Ų | 74 | 83.9 Ų | 83.9 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 178.8 | 177.1 | -109.3 | 0 | 0 | 0 | 111.7 | L31 R44 R45 D46 H51 L52 | L31-F48 HydrophobicContact CD1-CD1 4.49Å; L31-F48 HydrophobicContact CD1-CE1 3.88Å; R44-F48 VanDerWaalsContact O-CB 3.28Å; R44-F48 WeakPolarHBondContact O-CB 3.36Å; R44-F48 PolarHBondContact O-N 3.02Å; R45-F48 WeakPolarHBondContact O-CB 3.43Å; R45-F48 PolarHBondContact O-N 3.05Å; D46-F48 VanDerWaalsContact C-N 3.3Å; D46-F48 PolarHBondContact O-N 2.91Å; F48-H51 PolarHBondContact O-N 2.82Å; F48-L52 HydrophobicContact CD1-CD1 4.2Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CG 4.29Å; F48-L52 HydrophobicContact CE2-CD2 4.3Å; F48-L52 HydrophobicContact CZ-CD1 4Å; F48-L52 HydrophobicContact CZ-CD2 4.08Å; F48-L52 HydrophobicContact CZ-CG 4.25Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 2.88Å; F48-L52 VanDerWaalsContact O-N 3.08Å |
| 49 | E | 95.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 79.6 Ų | 79.6 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 178.8 | -69.4 | -179 | -160.7 | 0 | 0 | 112 | R45 D46 H51 L52 E53 L59 R61 | R45-E49 WeakPolarHBondContact CD-OE1 3.48Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 VanDerWaalsContact CG-OE1 3.27Å; R45-E49 WeakPolarHBondContact CG-OE1 3.36Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 2.75Å; D46-E49 PolarHBondContact O-N 3.23Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 3.2Å; E49-L52 WeakPolarHBondContact O-CB 3.43Å; E49-L52 PolarHBondContact O-N 2.83Å; E49-L52 VanDerWaalsContact O-N 3.14Å; E49-E53 PolarHBondContact O-N 3.38Å; E49-E53 VanDerWaalsContact O-N 3.12Å; E49-L59 HydrophobicContact CB-CD2 3.99Å; E49-L59 HydrophobicContact CG-CD2 4.23Å; E49-R61 IonicContact OE2-CZ 2.72Å; E49-R61 IonicContact OE2-NE 3.89Å; E49-R61 PolarHBondContact OE2-NE 2.68Å; E49-R61 IonicContact OE2-NH2 3.76Å; E49-R61 PolarHBondContact OE2-NH2 3.27Å |
| 50 | D | 96.5 | Very high | 92.3 | Very high | 88 Ų | 88 | 79.6 Ų | 79.6 | 47% | 0.471 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 173.1 | -71.2 | -10.8 | 0 | 0 | 0 | 110.7 | D46 L52 E53 D54 | D46-D50 WeakPolarHBondContact O-CB 3.26Å; D46-D50 VanDerWaalsContact O-CG 3.24Å; D46-D50 PolarHBondContact O-N 2.71Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.33Å; D50-E53 PolarHBondContact O-N 3.24Å; D50-D54 WeakPolarHBondContact O-CB 3.27Å; D50-D54 PolarHBondContact O-N 2.82Å |
| 51 | H | 97.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 75.3 Ų | 75.3 | 41% | 0.407 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 177.4 | -174.6 | 59.7 | 0 | 0 | 0 | 113.1 | F47 F48 E49 D54 E55 | F47-H51 WeakPolarHBondContact O-CB 3.48Å; F47-H51 PolarHBondContact O-N 2.91Å; F47-H51 VanDerWaalsContact O-N 3.09Å; F48-H51 PolarHBondContact O-N 2.82Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 3.2Å; H51-D54 PolarHBondContact O-N 2.91Å; H51-E55 IonicContact CE1-OE1 3.56Å; H51-E55 WeakPolarHBondContact O-CG 3.37Å; H51-E55 PolarHBondContact O-N 3.48Å |
| 52 | L | 96.5 | Very high | 93.4 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 175.4 | -66.1 | 177.5 | 0 | 0 | 0 | 111.3 | L31 F48 E49 D50 E55 G56 L57 L59 I76 | L31-L52 HydrophobicContact CD1-CD1 4.38Å; F48-L52 HydrophobicContact CD1-CD1 4.2Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CG 4.29Å; F48-L52 HydrophobicContact CE2-CD2 4.3Å; F48-L52 HydrophobicContact CZ-CD1 4Å; F48-L52 HydrophobicContact CZ-CD2 4.08Å; F48-L52 HydrophobicContact CZ-CG 4.25Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 2.88Å; F48-L52 VanDerWaalsContact O-N 3.08Å; E49-L52 WeakPolarHBondContact O-CB 3.43Å; E49-L52 PolarHBondContact O-N 2.83Å; E49-L52 VanDerWaalsContact O-N 3.14Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.33Å; L52-E55 PolarHBondContact O-N 3.03Å; L52-G56 PolarHBondContact O-N 2.72Å; L52-L57 HydrophobicContact CB-CB 4.43Å; L52-L57 HydrophobicContact CB-CD1 3.99Å; L52-L57 HydrophobicContact CD2-CD1 3.68Å; L52-L57 HydrophobicContact CG-CD1 4.3Å; L52-L57 VanDerWaalsContact O-CB 3.3Å; L52-L57 WeakPolarHBondContact O-CB 3.48Å; L52-L57 PolarHBondContact O-N 3.15Å; L52-L59 HydrophobicContact CB-CD1 3.95Å; L52-L59 HydrophobicContact CB-CD2 4.27Å; L52-L59 HydrophobicContact CD1-CD2 4.26Å; L52-I76 HydrophobicContact CD1-CD1 3.97Å |
| 53 | E | 96.1 | Very high | 93.6 | Very high | 79 Ų | 79 | 74.7 Ų | 74.7 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175.6 | -68.6 | -178.9 | -178.1 | 0 | 0 | 111.1 | E49 D50 E55 G56 L59 R61 | E49-E53 PolarHBondContact O-N 3.38Å; E49-E53 VanDerWaalsContact O-N 3.12Å; D50-E53 PolarHBondContact O-N 3.24Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.01Å; E53-G56 WeakPolarHBondContact O-CA 3.46Å; E53-G56 PolarHBondContact O-N 2.76Å; E53-L59 HydrophobicContact CG-CB 4.25Å; E53-L59 HydrophobicContact CG-CD1 4.14Å; E53-L59 HydrophobicContact CG-CD2 4.21Å; E53-L59 HydrophobicContact CG-CG 4.41Å; E53-R61 IonicContact OE1-CZ 3.75Å; E53-R61 IonicContact OE1-NH1 3.39Å; E53-R61 PolarHBondContact OE1-NH1 3.22Å; E53-R61 IonicContact OE1-NH2 3.2Å; E53-R61 PolarHBondContact OE1-NH2 2.87Å |
| 54 | D | 96.8 | Very high | 93.4 | Very high | 140 Ų | 140 | 71 Ų | 71 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.8 | -37 | 175.7 | -80.8 | -12 | 0 | 0 | 0 | 113.1 | D50 H51 G56 | D50-D54 WeakPolarHBondContact O-CB 3.27Å; D50-D54 PolarHBondContact O-N 2.82Å; H51-D54 PolarHBondContact O-N 2.91Å; D54-G56 PolarHBondContact O-N 2.92Å |
| 55 | E | 95.5 | Very high | 93.2 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.7 | 174.1 | -77.5 | -64.1 | 144.2 | 0 | 0 | 113.2 | H51 L52 E53 F82 R85 | H51-E55 IonicContact CE1-OE1 3.56Å; H51-E55 WeakPolarHBondContact O-CG 3.37Å; H51-E55 PolarHBondContact O-N 3.48Å; L52-E55 PolarHBondContact O-N 3.03Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.01Å; E55-F82 HydrophobicContact CB-CE2 4.24Å; E55-F82 WeakPolarHBondContact O-CD2 3.48Å; E55-R85 IonicContact OE2-CZ 2.71Å; E55-R85 IonicContact OE2-NH1 3.07Å; E55-R85 IonicContact OE2-NH2 3.92Å |
| 56 | G | 94.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 68.7 Ų | 68.7 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 17.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L52 E53 D54 P79 | L52-G56 PolarHBondContact O-N 2.72Å; E53-G56 WeakPolarHBondContact O-CA 3.46Å; E53-G56 PolarHBondContact O-N 2.76Å; D54-G56 PolarHBondContact O-N 2.92Å; G56-P79 WeakPolarHBondContact O-CD 3.41Å; G56-P79 WeakPolarHBondContact O-CG 3.34Å |
| 57 | L | 95.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | trans | -79.7 | 152.3 | 169 | -64.6 | 169.5 | 0 | 0 | 0 | 110.4 | L52 L59 I76 A78 F82 | L52-L57 HydrophobicContact CB-CB 4.43Å; L52-L57 HydrophobicContact CB-CD1 3.99Å; L52-L57 HydrophobicContact CD2-CD1 3.68Å; L52-L57 HydrophobicContact CG-CD1 4.3Å; L52-L57 VanDerWaalsContact O-CB 3.3Å; L52-L57 WeakPolarHBondContact O-CB 3.48Å; L52-L57 PolarHBondContact O-N 3.15Å; L57-L59 HydrophobicContact CB-CD1 3.88Å; L57-I76 HydrophobicContact CB-CG2 4.24Å; L57-I76 HydrophobicContact CD1-CG2 4.13Å; L57-I76 HydrophobicContact CD2-CG2 4.26Å; L57-I76 HydrophobicContact CG-CG2 4.46Å; L57-A78 HydrophobicContact CD2-CB 3.73Å; L57-F82 HydrophobicContact CD1-CZ 4.16Å; L57-F82 HydrophobicContact CD2-CD1 3.69Å; L57-F82 HydrophobicContact CD2-CD2 4.18Å; L57-F82 HydrophobicContact CD2-CE1 3.55Å; L57-F82 HydrophobicContact CD2-CE2 4.07Å; L57-F82 HydrophobicContact CD2-CG 4Å; L57-F82 HydrophobicContact CD2-CZ 3.75Å; L57-F82 HydrophobicContact CG-CD2 4.35Å; L57-F82 HydrophobicContact CG-CE1 4.29Å; L57-F82 HydrophobicContact CG-CE2 4Å; L57-F82 HydrophobicContact CG-CZ 3.96Å | ||
| 58 | V | 93.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 68.2 Ų | 68.2 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.9 | 175.5 | -161.6 | 0 | 0 | 0 | 0 | 108.2 | M17 L25 I76 H77 P79 | M17-V58 HydrophobicContact CE-CB 3.85Å; M17-V58 HydrophobicContact CE-CG1 3.39Å; M17-V58 WeakPolarHBondContact CE-O 3.33Å; M17-V58 HydrophobicContact SD-CB 4.44Å; M17-V58 HydrophobicContact SD-CG1 4.38Å; L25-V58 HydrophobicContact CD1-CG1 4.25Å; V58-I76 WeakPolarHBondContact O-CA 2.99Å; V58-H77 HydrophobicContact CB-CB 4.3Å; V58-H77 PolarHBondContact N-O 3.08Å; V58-H77 PolarHBondContact O-N 3.32Å; V58-P79 HydrophobicContact CG2-CG 3.84Å |
| 59 | L | 93.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139.7 | -179.3 | -84.3 | 63 | 0 | 0 | 0 | 111.4 | E49 L52 E53 L57 V74 L75 I76 | E49-L59 HydrophobicContact CB-CD2 3.99Å; E49-L59 HydrophobicContact CG-CD2 4.23Å; L52-L59 HydrophobicContact CB-CD1 3.95Å; L52-L59 HydrophobicContact CB-CD2 4.27Å; L52-L59 HydrophobicContact CD1-CD2 4.26Å; E53-L59 HydrophobicContact CG-CB 4.25Å; E53-L59 HydrophobicContact CG-CD1 4.14Å; E53-L59 HydrophobicContact CG-CD2 4.21Å; E53-L59 HydrophobicContact CG-CG 4.41Å; L57-L59 HydrophobicContact CB-CD1 3.88Å; L59-V74 HydrophobicContact CB-CG1 4.19Å; L59-V74 HydrophobicContact CD2-CG1 3.75Å; L59-V74 HydrophobicContact CG-CG1 3.84Å; L59-L75 CarbonylContact C-O 3.56Å; L59-L75 WeakPolarHBondContact CA-O 3.43Å; L59-I76 HydrophobicContact CD1-CG1 4.24Å; L59-I76 HydrophobicContact CD1-CG2 4.29Å; L59-I76 HydrophobicContact CG-CG1 4.14Å |
| 60 | E | 91.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 23% | 0.234 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.6 | 169.1 | 174.9 | 174.8 | -173.8 | 0 | 0 | 108.5 | M17 R18 V62 V74 L75 | M17-E60 WeakPolarHBondContact CA-OE2 3.39Å; M17-E60 HydrophobicContact CE-CB 3.61Å; M17-E60 HydrophobicContact CG-CB 3.79Å; M17-E60 WeakPolarHBondContact CG-OE2 3.25Å; M17-E60 HydrophobicContact SD-CB 4.46Å; R18-E60 PolarHBondContact N-OE2 2.71Å; E60-V62 HydrophobicContact CG-CG2 4.21Å; E60-V74 CarbonylContact O-C 3.56Å; E60-V74 WeakPolarHBondContact O-CA 3.44Å; E60-L75 HydrophobicContact CB-CB 4.33Å; E60-L75 PolarHBondContact N-O 2.97Å; E60-L75 PolarHBondContact O-N 3.05Å |
| 61 | R | 90.6 | Very high | 91 | Very high | 99 Ų | 99 | 69.6 Ų | 69.6 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.9 | -175.4 | -65.1 | 159.8 | -177.6 | 88.2 | -5.6 | 109 | E49 E53 F73 V74 | E49-R61 IonicContact OE2-CZ 2.72Å; E49-R61 IonicContact OE2-NE 3.89Å; E49-R61 PolarHBondContact OE2-NE 2.68Å; E49-R61 IonicContact OE2-NH2 3.76Å; E49-R61 PolarHBondContact OE2-NH2 3.27Å; E53-R61 IonicContact OE1-CZ 3.75Å; E53-R61 IonicContact OE1-NH1 3.39Å; E53-R61 PolarHBondContact OE1-NH1 3.22Å; E53-R61 IonicContact OE1-NH2 3.2Å; E53-R61 PolarHBondContact OE1-NH2 2.87Å; R61-F73 WeakPolarHBondContact CA-O 3.46Å; R61-V74 HydrophobicContact CG-CG1 4.29Å; R61-V74 HydrophobicContact CG-CG2 4.3Å |
| 62 | V | 89.1 | Confident | 90.6 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.7 | 179.8 | -176 | 0 | 0 | 0 | 0 | 108.4 | E60 E64 F73 L75 | E60-V62 HydrophobicContact CG-CG2 4.21Å; V62-E64 HydrophobicContact CG1-CG 4.31Å; V62-F73 HydrophobicContact CB-CB 4.46Å; V62-F73 PolarHBondContact N-O 3.03Å; V62-F73 PolarHBondContact O-N 2.9Å; V62-L75 HydrophobicContact CG2-CD1 4.09Å |
| 63 | T | 88.7 | Confident | 90.3 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.4 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | I35 Y71 | I35-T63 HydrophobicContact CD1-CG2 3.4Å; I35-T63 VanDerWaalsContact CD1-CG2 3.4Å; T63-Y71 WeakPolarHBondContact CA-O 3.28Å |
| 64 | E | 85.9 | Confident | 90.1 | Very high | 88 Ų | 88 | 61 Ų | 61 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149 | 176.8 | -66.9 | -63.8 | 144.4 | 0 | 0 | 110.6 | V62 Y71 F73 | V62-E64 HydrophobicContact CG1-CG 4.31Å; E64-Y71 PolarHBondContact N-O 3.1Å; E64-Y71 PolarHBondContact O-N 2.87Å; E64-F73 HydrophobicContact CB-CD2 4.3Å; E64-F73 HydrophobicContact CB-CE2 3.88Å; E64-F73 HydrophobicContact CG-CD2 4.34Å; E64-F73 HydrophobicContact CG-CE2 4.27Å |
| 65 | E | 87 | Confident | 89.8 | Confident | 117 Ų | 117 | 54.4 Ų | 54.4 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.8 | 175.2 | -169.7 | 171.6 | 152.3 | 0 | 0 | 109.9 | K70 | E65-K70 HydrophobicContact CB-CG 4.33Å; E65-K70 HydrophobicContact CG-CG 4.11Å; E65-K70 WeakPolarHBondContact OE2-CE 3.14Å |
| 66 | I | 83.7 | Confident | 89.7 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122 | -177.2 | -58.1 | 166.6 | 0 | 0 | 0 | 107.6 | F9 G68 T69 Y71 F73 | F9-I66 HydrophobicContact CD1-CD1 3.73Å; F9-I66 HydrophobicContact CE1-CD1 3.39Å; F9-I66 HydrophobicContact CZ-CD1 4.49Å; I66-G68 PolarHBondContact O-N 2.76Å; I66-T69 PolarHBondContact N-O 2.91Å; I66-T69 WeakPolarHBondContact O-CB 3.43Å; I66-T69 PolarHBondContact O-N 2.84Å; I66-Y71 HydrophobicContact CB-CD2 4.16Å; I66-Y71 HydrophobicContact CB-CE2 4.16Å; I66-Y71 HydrophobicContact CD1-CD2 4.19Å; I66-Y71 HydrophobicContact CG1-CD2 4.45Å; I66-F73 HydrophobicContact CD1-CE2 4.49Å; I66-F73 HydrophobicContact CD1-CZ 4.15Å |
| 67 | D | 86.1 | Confident | 89.7 | Confident | 161 Ų | 161 | 51.2 Ų | 51.2 | 86% | 0.861 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.5 | -179.1 | -58.7 | -34.9 | 0 | 0 | 0 | 113.6 | T69 | D67-T69 PolarHBondContact O-N 3.18Š|
| 68 | G | 85.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 60% | 0.598 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 6.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | I66 | I66-G68 PolarHBondContact O-N 2.76Š|
| 69 | T | 85.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.5 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | N34 I66 D67 Y71 | N34-T69 WeakPolarHBondContact ND2-CG2 3.05Å; I66-T69 PolarHBondContact N-O 2.91Å; I66-T69 WeakPolarHBondContact O-CB 3.43Å; I66-T69 PolarHBondContact O-N 2.84Å; D67-T69 PolarHBondContact O-N 3.18Å; T69-Y71 HydrophobicContact CG2-CD2 4.24Å; T69-Y71 HydrophobicContact CG2-CE1 4.2Å; T69-Y71 HydrophobicContact CG2-CE2 3.56Å; T69-Y71 WeakPolarHBondContact O-CD2 3.39Å |
| 70 | K | 88.6 | Confident | 89.6 | Confident | 101 Ų | 101 | 55.7 Ų | 55.7 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.8 | 177.6 | -66.2 | -174.3 | 179 | -174.9 | 0 | 111 | N34 I35 E65 | N34-K70 PolarHBondContact OD1-O 2.8Å; I35-K70 HydrophobicContact CB-CB 4.1Å; I35-K70 HydrophobicContact CD1-CB 4.45Å; I35-K70 PolarHBondContact N-O 2.94Å; E65-K70 HydrophobicContact CB-CG 4.33Å; E65-K70 HydrophobicContact CG-CG 4.11Å; E65-K70 WeakPolarHBondContact OE2-CE 3.14Å |
| 71 | Y | 89 | Confident | 89.6 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.3 | 176.1 | -65.9 | -83.1 | 0 | 0 | 0 | 110.3 | V32 Y33 N34 T63 E64 I66 T69 | V32-Y71 HydrophobicContact CG1-CD1 4.15Å; Y33-Y71 CarbonylContact O-C 3.57Å; Y33-Y71 WeakPolarHBondContact O-CA 3.36Å; N34-Y71 HydrophobicContact CB-CD1 4.2Å; N34-Y71 HydrophobicContact CB-CE1 4.06Å; T63-Y71 WeakPolarHBondContact CA-O 3.28Å; E64-Y71 PolarHBondContact N-O 3.1Å; E64-Y71 PolarHBondContact O-N 2.87Å; I66-Y71 HydrophobicContact CB-CD2 4.16Å; I66-Y71 HydrophobicContact CB-CE2 4.16Å; I66-Y71 HydrophobicContact CD1-CD2 4.19Å; I66-Y71 HydrophobicContact CG1-CD2 4.45Å; T69-Y71 HydrophobicContact CG2-CD2 4.24Å; T69-Y71 HydrophobicContact CG2-CE1 4.2Å; T69-Y71 HydrophobicContact CG2-CE2 3.56Å; T69-Y71 WeakPolarHBondContact O-CD2 3.39Å |
| 72 | C | 89.4 | Confident | 89.8 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.4 | 166.9 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | V32 Y33 I35 | V32-C72 WeakPolarHBondContact CA-O 3.27Å; Y33-C72 HydrophobicContact CD1-CB 3.94Å; Y33-C72 HydrophobicContact CD2-CB 4.08Å; Y33-C72 HydrophobicContact CE1-CB 3.41Å; Y33-C72 VanDerWaalsContact CE1-CB 3.41Å; Y33-C72 HydrophobicContact CE2-CB 3.57Å; Y33-C72 HydrophobicContact CG-CB 4.25Å; Y33-C72 VanDerWaalsContact CZ-SG 3.53Å; Y33-C72 PolarHBondContact N-O 3.05Å; Y33-C72 PolarHBondContact O-N 2.98Å; Y33-C72 WeakPolarHBondContact OH-CB 3.4Å; Y33-C72 PolarHBondContact OH-SG 2.98Å; I35-C72 HydrophobicContact CD1-CB 3.7Å; I35-C72 HydrophobicContact CG1-CB 3.76Å |
| 73 | F | 89.6 | Confident | 90 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.5 | 173.5 | -63.3 | -94.8 | 0 | 0 | 0 | 108.1 | F9 L14 V30 L31 V32 R61 V62 E64 I66 | F9-F73 AromaticContact CD1-CE1 3.86Å; F9-F73 HydrophobicContact CD1-CE1 3.86Å; F9-F73 AromaticContact CD1-CZ 3.68Å; F9-F73 HydrophobicContact CD1-CZ 3.68Å; F9-F73 AromaticContact CE1-CE1 3.98Å; F9-F73 HydrophobicContact CE1-CE1 3.98Å; F9-F73 AromaticContact CE1-CZ 3.58Å; F9-F73 HydrophobicContact CE1-CZ 3.58Å; L14-F73 HydrophobicContact CD1-CB 4.22Å; L14-F73 HydrophobicContact CD1-CD1 3.55Å; L14-F73 HydrophobicContact CD1-CE1 4.13Å; L14-F73 HydrophobicContact CD1-CG 3.97Å; V30-F73 HydrophobicContact CG1-CB 4.45Å; V30-F73 HydrophobicContact CG1-CD1 4.08Å; L31-F73 CarbonylContact O-C 3.59Å; L31-F73 WeakPolarHBondContact O-CA 3.4Å; V32-F73 HydrophobicContact CB-CD1 4.47Å; V32-F73 HydrophobicContact CB-CE1 4.48Å; V32-F73 HydrophobicContact CG1-CD1 4.21Å; V32-F73 HydrophobicContact CG1-CE1 3.9Å; V32-F73 HydrophobicContact CG1-CZ 4.22Å; V32-F73 HydrophobicContact CG2-CD1 3.56Å; V32-F73 HydrophobicContact CG2-CE1 3.7Å; R61-F73 WeakPolarHBondContact CA-O 3.46Å; V62-F73 HydrophobicContact CB-CB 4.46Å; V62-F73 PolarHBondContact N-O 3.03Å; V62-F73 PolarHBondContact O-N 2.9Å; E64-F73 HydrophobicContact CB-CD2 4.3Å; E64-F73 HydrophobicContact CB-CE2 3.88Å; E64-F73 HydrophobicContact CG-CD2 4.34Å; E64-F73 HydrophobicContact CG-CE2 4.27Å; I66-F73 HydrophobicContact CD1-CE2 4.49Å; I66-F73 HydrophobicContact CD1-CZ 4.15Å |
| 74 | V | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107.2 | 173.6 | -168.5 | 0 | 0 | 0 | 0 | 107.6 | V30 L31 Y33 L59 E60 R61 I76 | V30-V74 CarbonylContact C-O 3.55Å; V30-V74 WeakPolarHBondContact CA-O 3.43Å; L31-V74 HydrophobicContact CB-CB 4.03Å; L31-V74 HydrophobicContact CB-CG2 4.38Å; L31-V74 HydrophobicContact CD1-CB 4.48Å; L31-V74 HydrophobicContact CG-CB 4.48Å; L31-V74 PolarHBondContact N-O 3.41Å; L31-V74 PolarHBondContact O-N 3.1Å; Y33-V74 HydrophobicContact CD1-CG2 4.38Å; Y33-V74 HydrophobicContact CE1-CG2 3.79Å; L59-V74 HydrophobicContact CB-CG1 4.19Å; L59-V74 HydrophobicContact CD2-CG1 3.75Å; L59-V74 HydrophobicContact CG-CG1 3.84Å; E60-V74 CarbonylContact O-C 3.56Å; E60-V74 WeakPolarHBondContact O-CA 3.44Å; R61-V74 HydrophobicContact CG-CG1 4.29Å; R61-V74 HydrophobicContact CG-CG2 4.3Å; V74-I76 HydrophobicContact CG1-CG1 4.39Å |
| 75 | L | 91.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.6 | 175.9 | -48.7 | -178.1 | 0 | 0 | 0 | 108.5 | L14 V27 V30 L59 E60 V62 | L14-L75 HydrophobicContact CB-CD2 4.08Å; L14-L75 HydrophobicContact CD1-CD2 4.18Å; L14-L75 HydrophobicContact CD2-CD1 4.28Å; L14-L75 HydrophobicContact CD2-CD2 3.99Å; L14-L75 HydrophobicContact CG-CD2 4.3Å; V27-L75 HydrophobicContact CG1-CB 4.22Å; V27-L75 HydrophobicContact CG1-CD2 4.33Å; V27-L75 HydrophobicContact CG2-CB 4.12Å; V27-L75 HydrophobicContact CG2-CD1 4.32Å; V30-L75 HydrophobicContact CG1-CD2 4.1Å; V30-L75 HydrophobicContact CG2-CD2 3.86Å; L59-L75 CarbonylContact C-O 3.56Å; L59-L75 WeakPolarHBondContact CA-O 3.43Å; E60-L75 HydrophobicContact CB-CB 4.33Å; E60-L75 PolarHBondContact N-O 2.97Å; E60-L75 PolarHBondContact O-N 3.05Å; V62-L75 HydrophobicContact CG2-CD1 4.09Å |
| 76 | I | 93.4 | Very high | 91 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.3 | -177 | -57.5 | 171.6 | 0 | 0 | 0 | 108.6 | D28 Y29 L31 L52 L57 V58 L59 V74 | D28-I76 PolarHBondContact N-O 2.86Å; Y29-I76 PolarHBondContact N-O 3.26Å; Y29-I76 PolarHBondContact O-N 2.97Å; L31-I76 HydrophobicContact CD1-CD1 3.74Å; L31-I76 HydrophobicContact CD2-CD1 4.21Å; L31-I76 HydrophobicContact CG-CD1 3.66Å; L52-I76 HydrophobicContact CD1-CD1 3.97Å; L57-I76 HydrophobicContact CB-CG2 4.24Å; L57-I76 HydrophobicContact CD1-CG2 4.13Å; L57-I76 HydrophobicContact CD2-CG2 4.26Å; L57-I76 HydrophobicContact CG-CG2 4.46Å; V58-I76 WeakPolarHBondContact O-CA 2.99Å; L59-I76 HydrophobicContact CD1-CG1 4.24Å; L59-I76 HydrophobicContact CD1-CG2 4.29Å; L59-I76 HydrophobicContact CG-CG1 4.14Å; V74-I76 HydrophobicContact CG1-CG1 4.39Å |
| 77 | H | 93.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.3 | 168 | 172.8 | 60.4 | 0 | 0 | 0 | 110.1 | M17 L25 R26 D28 V58 P79 | M17-H77 HydrophobicContact SD-CB 3.55Å; M17-H77 VanDerWaalsContact SD-CB 3.55Å; L25-H77 HydrophobicContact CB-CB 4.2Å; L25-H77 HydrophobicContact CD1-CB 4.49Å; R26-H77 WeakPolarHBondContact O-CB 3.4Å; R26-H77 PolarHBondContact O-ND1 2.82Å; D28-H77 IonicContact OD2-ND1 3.59Å; D28-H77 PolarHBondContact OD2-ND1 2.66Å; V58-H77 HydrophobicContact CB-CB 4.3Å; V58-H77 PolarHBondContact N-O 3.08Å; V58-H77 PolarHBondContact O-N 3.32Å; H77-P79 WeakPolarHBondContact O-CD 3.44Å |
| 78 | A | 94.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | trans | -99 | 109.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D28 L57 F82 Q83 | D28-A78 PolarHBondContact OD2-N 3.07Å; L57-A78 HydrophobicContact CD2-CB 3.73Å; A78-F82 HydrophobicContact CB-CD1 3.87Å; A78-F82 HydrophobicContact CB-CE1 4.4Å; A78-Q83 HydrophobicContact CB-CG 3.95Å; A78-Q83 PolarHBondContact O-NE2 3.07Å | ||
| 79 | P | 93.7 | Very high | 92.3 | Very high | 26 Ų | 26 | 52 Ų | 52 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | trans | -56.5 | 155.4 | 173.8 | -26.1 | 36.3 | 0 | 0 | 0 | 112.1 | G56 V58 H77 E81 F82 Q83 | G56-P79 WeakPolarHBondContact O-CD 3.41Å; G56-P79 WeakPolarHBondContact O-CG 3.34Å; V58-P79 HydrophobicContact CG2-CG 3.84Å; H77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-E81 VanDerWaalsContact C-N 3.25Å; P79-E81 PolarHBondContact O-N 3.3Å; P79-F82 WeakPolarHBondContact O-CB 3.3Å; P79-F82 PolarHBondContact O-N 3.43Å; P79-Q83 PolarHBondContact O-N 2.89Å | ||
| 80 | W | 92.2 | Very high | 92.7 | Very high | 145 Ų | 145 | 56.6 Ų | 56.6 | 55% | 0.549 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.4 | -40.4 | -177 | -178.2 | -116.4 | 0 | 0 | 0 | 112.3 | F82 Q83 I84 L138 | W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 2.92Å; W80-Q83 WeakPolarHBondContact O-CB 3.41Å; W80-Q83 PolarHBondContact O-N 3.43Å; W80-Q83 VanDerWaalsContact O-N 3.14Å; W80-I84 HydrophobicContact CD2-CD1 4.44Å; W80-I84 HydrophobicContact CD2-CG1 4.44Å; W80-I84 HydrophobicContact CG-CD1 4.27Å; W80-I84 HydrophobicContact CZ2-CG1 4.4Å; W80-I84 VanDerWaalsContact NE1-CD1 3.34Å; W80-I84 WeakPolarHBondContact O-CG1 3.1Å; W80-I84 PolarHBondContact O-N 2.7Å; W80-L138 HydrophobicContact CZ2-CD1 4.46Å |
| 81 | E | 92.7 | Very high | 93 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 177.6 | -65.5 | 70.1 | -155.6 | 0 | 0 | 111.7 | P79 R85 | P79-E81 VanDerWaalsContact C-N 3.25Å; P79-E81 PolarHBondContact O-N 3.3Å; E81-R85 PolarHBondContact O-N 3.14Å |
| 82 | F | 94.5 | Very high | 93.1 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 17% | 0.167 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.2 | 179.7 | -87.7 | 0 | 0 | 0 | 110.6 | E55 L57 A78 P79 W80 I84 R85 Q86 | E55-F82 HydrophobicContact CB-CE2 4.24Å; E55-F82 WeakPolarHBondContact O-CD2 3.48Å; L57-F82 HydrophobicContact CD1-CZ 4.16Å; L57-F82 HydrophobicContact CD2-CD1 3.69Å; L57-F82 HydrophobicContact CD2-CD2 4.18Å; L57-F82 HydrophobicContact CD2-CE1 3.55Å; L57-F82 HydrophobicContact CD2-CE2 4.07Å; L57-F82 HydrophobicContact CD2-CG 4Å; L57-F82 HydrophobicContact CD2-CZ 3.75Å; L57-F82 HydrophobicContact CG-CD2 4.35Å; L57-F82 HydrophobicContact CG-CE1 4.29Å; L57-F82 HydrophobicContact CG-CE2 4Å; L57-F82 HydrophobicContact CG-CZ 3.96Å; A78-F82 HydrophobicContact CB-CD1 3.87Å; A78-F82 HydrophobicContact CB-CE1 4.4Å; P79-F82 WeakPolarHBondContact O-CB 3.3Å; P79-F82 PolarHBondContact O-N 3.43Å; W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 2.92Å; F82-I84 VanDerWaalsContact C-N 3.35Å; F82-I84 PolarHBondContact O-N 3.27Å; F82-R85 PolarHBondContact O-N 2.74Å; F82-Q86 HydrophobicContact CD1-CG 3.8Å; F82-Q86 HydrophobicContact CE1-CG 3.37Å; F82-Q86 HydrophobicContact CE2-CG 4.17Å; F82-Q86 HydrophobicContact CG-CG 4.38Å; F82-Q86 HydrophobicContact CZ-CG 3.58Å; F82-Q86 WeakPolarHBondContact O-CG 3.31Å; F82-Q86 PolarHBondContact O-N 2.8Å |
| 83 | Q | 93.2 | Very high | 93.1 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 179.8 | -65.3 | -178.3 | 39.6 | 0 | 0 | 112.3 | A78 P79 W80 Q86 A87 | A78-Q83 HydrophobicContact CB-CG 3.95Å; A78-Q83 PolarHBondContact O-NE2 3.07Å; P79-Q83 PolarHBondContact O-N 2.89Å; W80-Q83 WeakPolarHBondContact O-CB 3.41Å; W80-Q83 PolarHBondContact O-N 3.43Å; W80-Q83 VanDerWaalsContact O-N 3.14Å; Q83-Q86 PolarHBondContact O-N 2.85Å; Q83-A87 VanDerWaalsContact O-CB 3.29Å; Q83-A87 WeakPolarHBondContact O-CB 3.36Å; Q83-A87 PolarHBondContact O-N 2.95Å |
| 84 | I | 94.1 | Very high | 93 | Very high | 31 Ų | 31 | 71.2 Ų | 71.2 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.6 | -54.1 | 175.3 | -67.1 | 168.1 | 0 | 0 | 0 | 109.9 | W80 F82 Q86 A87 E88 F133 L138 | W80-I84 HydrophobicContact CD2-CD1 4.44Å; W80-I84 HydrophobicContact CD2-CG1 4.44Å; W80-I84 HydrophobicContact CG-CD1 4.27Å; W80-I84 HydrophobicContact CZ2-CG1 4.4Å; W80-I84 VanDerWaalsContact NE1-CD1 3.34Å; W80-I84 WeakPolarHBondContact O-CG1 3.1Å; W80-I84 PolarHBondContact O-N 2.7Å; F82-I84 VanDerWaalsContact C-N 3.35Å; F82-I84 PolarHBondContact O-N 3.27Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.12Å; I84-A87 PolarHBondContact O-N 3.38Å; I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 2.88Å; I84-F133 HydrophobicContact CB-CE1 4.23Å; I84-F133 HydrophobicContact CB-CZ 4.27Å; I84-F133 HydrophobicContact CG1-CZ 4.15Å; I84-F133 HydrophobicContact CG2-CE1 3.74Å; I84-F133 HydrophobicContact CG2-CZ 4.03Å; I84-F133 WeakPolarHBondContact O-CE1 3.25Å; I84-L138 HydrophobicContact CB-CD1 4.49Å; I84-L138 HydrophobicContact CD1-CD1 3.41Å; I84-L138 VanDerWaalsContact CD1-CD1 3.41Å; I84-L138 HydrophobicContact CG1-CD1 3.56Å; I84-L138 HydrophobicContact CG2-CD1 4.1Å |
| 85 | R | 94.2 | Very high | 92.9 | Very high | 130 Ų | 130 | 74.8 Ų | 74.8 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.8 | -45.6 | -179.2 | 178.9 | -179.7 | 170.8 | -158.7 | -9.2 | 111.2 | E55 E81 F82 E88 V89 | E55-R85 IonicContact OE2-CZ 2.71Å; E55-R85 IonicContact OE2-NH1 3.07Å; E55-R85 IonicContact OE2-NH2 3.92Å; E81-R85 PolarHBondContact O-N 3.14Å; F82-R85 PolarHBondContact O-N 2.74Å; R85-E88 PolarHBondContact O-N 2.76Å; R85-V89 WeakPolarHBondContact O-CG2 3.15Å; R85-V89 PolarHBondContact O-N 3.09Å |
| 86 | Q | 94.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 79.7 Ų | 79.7 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 179 | -65.1 | -53.4 | -33.9 | 0 | 0 | 112.4 | F82 Q83 I84 E88 V89 L90 | F82-Q86 HydrophobicContact CD1-CG 3.8Å; F82-Q86 HydrophobicContact CE1-CG 3.37Å; F82-Q86 HydrophobicContact CE2-CG 4.17Å; F82-Q86 HydrophobicContact CG-CG 4.38Å; F82-Q86 HydrophobicContact CZ-CG 3.58Å; F82-Q86 WeakPolarHBondContact O-CG 3.31Å; F82-Q86 PolarHBondContact O-N 2.8Å; Q83-Q86 PolarHBondContact O-N 2.85Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.12Å; Q86-E88 VanDerWaalsContact C-N 3.29Å; Q86-E88 PolarHBondContact O-N 3.27Å; Q86-V89 PolarHBondContact O-N 3.41Å; Q86-L90 VanDerWaalsContact O-CB 3.31Å; Q86-L90 WeakPolarHBondContact O-CB 3.23Å; Q86-L90 VanDerWaalsContact O-CG 3.25Å; Q86-L90 WeakPolarHBondContact O-CG 3.46Å; Q86-L90 PolarHBondContact O-N 3.37Å |
| 87 | A | 94.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 86.7 Ų | 86.7 | 11% | 0.107 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q83 I84 K91 M92 F133 | Q83-A87 VanDerWaalsContact O-CB 3.29Å; Q83-A87 WeakPolarHBondContact O-CB 3.36Å; Q83-A87 PolarHBondContact O-N 2.95Å; I84-A87 PolarHBondContact O-N 3.38Å; A87-K91 PolarHBondContact O-N 3.39Å; A87-M92 HydrophobicContact CB-CB 4.31Å; A87-M92 HydrophobicContact CB-SD 4.47Å; A87-M92 PolarHBondContact O-N 2.97Å; A87-F133 HydrophobicContact CB-CD1 3.54Å; A87-F133 HydrophobicContact CB-CD2 4.48Å; A87-F133 HydrophobicContact CB-CE1 3.67Å; A87-F133 HydrophobicContact CB-CG 3.96Å; A87-F133 HydrophobicContact CB-CZ 4.18Å |
| 88 | E | 93.9 | Very high | 91.8 | Very high | 85 Ų | 85 | 90.2 Ų | 90.2 | 40% | 0.397 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.2 | -48.5 | 172.5 | -69.7 | -174.8 | 144.5 | 0 | 0 | 112 | I84 R85 Q86 L90 K91 F133 G135 | I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 2.88Å; R85-E88 PolarHBondContact O-N 2.76Å; Q86-E88 VanDerWaalsContact C-N 3.29Å; Q86-E88 PolarHBondContact O-N 3.27Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.04Å; E88-K91 PolarHBondContact O-N 2.86Å; E88-F133 HydrophobicContact CB-CD1 4.48Å; E88-F133 HydrophobicContact CG-CD1 3.6Å; E88-F133 HydrophobicContact CG-CE1 3.84Å; E88-G135 VanDerWaalsContact OE1-CA 3.27Å; E88-G135 WeakPolarHBondContact OE1-CA 3.27Å; E88-G135 PolarHBondContact OE1-N 2.71Å |
| 89 | V | 93.8 | Very high | 91 | Very high | 98 Ų | 98 | 91.6 Ų | 91.6 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.5 | -43.5 | 178.5 | 170.2 | 0 | 0 | 0 | 0 | 111 | R85 Q86 K91 | R85-V89 WeakPolarHBondContact O-CG2 3.15Å; R85-V89 PolarHBondContact O-N 3.09Å; Q86-V89 PolarHBondContact O-N 3.41Å; V89-K91 PolarHBondContact O-N 3.4Å |
| 90 | L | 94.4 | Very high | 90.3 | Very high | 134 Ų | 134 | 94.8 Ų | 94.8 | 70% | 0.702 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.2 | 177.4 | -67.4 | 173.4 | 0 | 0 | 0 | 113.3 | Q86 E88 M92 | Q86-L90 VanDerWaalsContact O-CB 3.31Å; Q86-L90 WeakPolarHBondContact O-CB 3.23Å; Q86-L90 VanDerWaalsContact O-CG 3.25Å; Q86-L90 WeakPolarHBondContact O-CG 3.46Å; Q86-L90 PolarHBondContact O-N 3.37Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.04Å; L90-M92 PolarHBondContact O-N 2.82Å |
| 91 | K | 93.2 | Very high | 89.5 | Confident | 138 Ų | 138 | 93 Ų | 93 | 60% | 0.6 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 42.2 | -174.6 | -58.8 | -177.9 | -179.2 | 177.9 | 0 | 112 | A87 E88 V89 R93 M132 | A87-K91 PolarHBondContact O-N 3.39Å; E88-K91 PolarHBondContact O-N 2.86Å; V89-K91 PolarHBondContact O-N 3.4Å; K91-R93 PolarHBondContact O-N 3.28Å; K91-M132 HydrophobicContact CD-CE 4.34Å |
| 92 | M | 91.5 | Very high | 88.2 | Confident | 101 Ų | 101 | 95.7 Ų | 95.7 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 136 | -179.4 | -174.9 | 168.2 | 161.6 | 0 | 0 | 109.9 | A87 L90 M94 F133 | A87-M92 HydrophobicContact CB-CB 4.31Å; A87-M92 HydrophobicContact CB-SD 4.47Å; A87-M92 PolarHBondContact O-N 2.97Å; L90-M92 PolarHBondContact O-N 2.82Å; M92-M94 HydrophobicContact CE-SD 3.87Å; M92-M94 HydrophobicContact CG-SD 4.49Å; M92-F133 HydrophobicContact CB-CB 4.38Å; M92-F133 VanDerWaalsContact O-CB 3.28Å; M92-F133 WeakPolarHBondContact O-CB 3.41Å; M92-F133 PolarHBondContact O-N 3.18Å |
| 93 | R | 89.6 | Confident | 86.7 | Confident | 164 Ų | 164 | 97.6 Ų | 97.6 | 62% | 0.619 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.5 | 179.1 | -69.1 | -171.5 | 76.9 | 146.9 | 3.8 | 109.7 | K91 T130 A131 | K91-R93 PolarHBondContact O-N 3.28Å; R93-T130 PolarHBondContact NE-OG1 3.39Å; R93-T130 PolarHBondContact NH2-O 3.02Å; R93-T130 PolarHBondContact NH2-OG1 3Å; R93-A131 CarbonylContact C-O 3.56Å; R93-A131 WeakPolarHBondContact CA-O 3.25Å |
| 94 | M | 88.8 | Confident | 85.2 | Confident | 77 Ų | 77 | 104.6 Ų | 104.6 | 38% | 0.379 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.4 | 177.2 | -64.3 | -56.4 | -73.3 | 0 | 0 | 111.2 | M92 V96 T130 A131 F133 | M92-M94 HydrophobicContact CE-SD 3.87Å; M92-M94 HydrophobicContact CG-SD 4.49Å; M94-V96 PolarHBondContact O-N 2.89Å; M94-T130 WeakPolarHBondContact O-CA 3.49Å; M94-T130 WeakPolarHBondContact O-CB 3.35Å; M94-A131 PolarHBondContact N-O 3.49Å; M94-A131 PolarHBondContact O-N 2.79Å; M94-A131 VanDerWaalsContact O-N 3.1Å; M94-F133 HydrophobicContact CG-CB 4.11Å; M94-F133 HydrophobicContact CG-CD2 3.72Å; M94-F133 HydrophobicContact CG-CG 4.41Å; M94-F133 HydrophobicContact SD-CD2 4.23Å |
| 95 | P | 89.4 | Confident | 83.7 | Confident | 76 Ų | 76 | 110.5 Ų | 110.5 | 49% | 0.494 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.9 | 168.6 | 29 | -32.9 | 0 | 0 | 0 | 109.7 | Y128 | P95-Y128 HydrophobicContact CB-CD1 3.72Å; P95-Y128 HydrophobicContact CB-CD2 4.27Å; P95-Y128 HydrophobicContact CB-CE1 4.5Å; P95-Y128 HydrophobicContact CB-CG 3.62Å |
| 96 | V | 85.8 | Confident | 82.3 | Confident | 104 Ų | 104 | 109.4 Ų | 109.4 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -44.9 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | M94 F129 A131 | M94-V96 PolarHBondContact O-N 2.89Å; V96-F129 PolarHBondContact N-O 3.31Å; V96-A131 HydrophobicContact CG2-CB 3.52Å |
| 97 | R | 85.2 | Confident | 80.7 | Confident | 158 Ų | 158 | 116.4 Ų | 116.4 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -154.8 | 146.6 | -177.8 | -169.1 | 176.9 | 173.4 | -177.8 | -8.4 | 109.9 | N99 D100 Y128 F129 | R97-N99 PolarHBondContact O-N 3.24Å; R97-D100 IonicContact CZ-OD2 3.65Å; R97-D100 IonicContact NH2-OD2 3.31Å; R97-D100 PolarHBondContact NH2-OD2 3.06Å; R97-Y128 CarbonylContact O-C 3.49Å; R97-Y128 VanDerWaalsContact O-CA 3.25Å; R97-Y128 WeakPolarHBondContact O-CA 3.34Å; R97-Y128 WeakPolarHBondContact O-CB 3.14Å; R97-Y128 WeakPolarHBondContact O-CD1 3.28Å; R97-F129 HydrophobicContact CB-CD2 4.41Å; R97-F129 PolarHBondContact O-N 3.42Å |
| 98 | E | 83.4 | Confident | 79.1 | Confident | 100 Ų | 100 | 124.2 Ų | 124.2 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.1 | 136.6 | 170.2 | -168.5 | 164.9 | -161.7 | 0 | 0 | 109.4 | D100 R126 Y128 | E98-D100 PolarHBondContact O-N 3.37Å; E98-R126 WeakPolarHBondContact OE1-CD 3.34Å; E98-R126 IonicContact OE1-NE 2.68Å; E98-Y128 HydrophobicContact CB-CD1 4.19Å; E98-Y128 HydrophobicContact CB-CE1 3.93Å; E98-Y128 HydrophobicContact CG-CE1 4.36Å |
| 99 | N | 77.9 | Confident | 78 | Confident | 39 Ų | 39 | 122.1 Ų | 122.1 | 21% | 0.209 | 59% | 0.589 | C | S | . | * | trans | -69.1 | 106.5 | -179.3 | -174.5 | 4.7 | 0 | 0 | 0 | 108.5 | R97 L101 H127 F129 | R97-N99 PolarHBondContact O-N 3.24Å; N99-L101 VanDerWaalsContact C-N 3.27Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 VanDerWaalsContact OD1-CG 3.23Å; N99-L101 WeakPolarHBondContact OD1-CG 3.38Å; N99-L101 PolarHBondContact OD1-N 3.47Å; N99-H127 WeakPolarHBondContact CA-O 3.43Å; N99-H127 VanDerWaalsContact CB-C 3.49Å; N99-H127 HydrophobicContact CB-CB 3.57Å; N99-H127 WeakPolarHBondContact CB-O 3.44Å; N99-H127 PolarHBondContact N-O 3.35Å; N99-F129 HydrophobicContact CB-CE2 4.42Å; N99-F129 WeakPolarHBondContact OD1-CZ 3.35Å | ||
| 100 | D | 79.4 | Confident | 77.1 | Confident | 92 Ų | 92 | 126.7 Ų | 126.7 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | trans | -85.4 | 0.1 | 177.6 | 57.9 | -3.3 | 0 | 0 | 0 | 112.7 | R97 E98 H102 F129 | R97-D100 IonicContact CZ-OD2 3.65Å; R97-D100 IonicContact NH2-OD2 3.31Å; R97-D100 PolarHBondContact NH2-OD2 3.06Å; E98-D100 PolarHBondContact O-N 3.37Å; D100-H102 PolarHBondContact O-N 3.14Å; D100-F129 WeakPolarHBondContact OD1-CE2 3.29Å | ||
| 101 | L | 75.6 | Confident | 76.1 | Confident | 109 Ų | 109 | 124.5 Ų | 124.5 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -68 | 127.6 | 168.3 | -57 | 172.2 | 0 | 0 | 0 | 108.5 | N99 V103 F129 | N99-L101 VanDerWaalsContact C-N 3.27Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 VanDerWaalsContact OD1-CG 3.23Å; N99-L101 WeakPolarHBondContact OD1-CG 3.38Å; N99-L101 PolarHBondContact OD1-N 3.47Å; L101-V103 PolarHBondContact O-N 3.02Å; L101-F129 HydrophobicContact CD1-CE1 4.23Å; L101-F129 HydrophobicContact CD1-CZ 3.97Å; L101-F129 HydrophobicContact CG-CZ 4.01Å |
| 102 | H | 64.8 | Low | 74.7 | Confident | 192 Ų | 192 | 123 Ų | 123 | 89% | 0.889 | 58% | 0.583 | S | S | * | * | trans | -61.1 | 86.8 | 172.8 | -75.1 | -75.9 | 0 | 0 | 0 | 110.3 | D100 R104 | D100-H102 PolarHBondContact O-N 3.14Å; H102-R104 PolarHBondContact O-N 3.25Å | ||
| 103 | V | 63.3 | Low | 73.5 | Confident | 77 Ų | 77 | 121.1 Ų | 121.1 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | trans | -68.2 | 103.6 | 167.1 | -176.8 | 0 | 0 | 0 | 0 | 105.6 | L101 K105 | L101-V103 PolarHBondContact O-N 3.02Å; V103-K105 PolarHBondContact O-N 3.4Å | ||
| 104 | R | 61.5 | Low | 72.5 | Confident | 224 Ų | 224 | 118.1 Ų | 118.1 | 85% | 0.845 | 58% | 0.58 | S | S | * | * | trans | -55.3 | 101.6 | 175.8 | -170 | 176 | 178.2 | 172 | 0.3 | 107.2 | H102 P106 | H102-R104 PolarHBondContact O-N 3.25Å; R104-P106 VanDerWaalsContact O-N 3.09Å | ||
| 105 | K | 62.4 | Low | 71.4 | Confident | 154 Ų | 154 | 119.9 Ų | 119.9 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | trans | -51.4 | 122.7 | 178 | -67.9 | -169.2 | 179.1 | -171.6 | 0 | 106.9 | V103 K107 | V103-K105 PolarHBondContact O-N 3.4Å; K105-K107 PolarHBondContact O-N 2.94Å | ||
| 106 | P | 64.4 | Low | 69.9 | Low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | trans | -55.7 | 133.4 | 176.7 | 21.8 | -30.7 | 0 | 0 | 0 | 107.3 | R104 R108 | R104-P106 VanDerWaalsContact O-N 3.09Å; P106-R108 PolarHBondContact O-N 3.41Å | ||
| 107 | K | 61.1 | Low | 69 | Low | 201 Ų | 201 | 131 Ų | 131 | 87% | 0.874 | 61% | 0.607 | S | S | * | * | trans | -57.3 | 103.5 | 177.1 | -74.2 | -173.1 | 176.5 | -176.9 | 0 | 107 | K105 G109 | K105-K107 PolarHBondContact O-N 2.94Å; K107-G109 PolarHBondContact O-N 3.05Å | ||
| 108 | R | 61.9 | Low | 68 | Low | 178 Ų | 178 | 126.3 Ų | 126.3 | 67% | 0.672 | 60% | 0.602 | S | S | * | * | trans | -64.6 | 102.4 | 178.4 | -82.6 | -171.6 | -119.8 | -162.8 | -6.9 | 107.9 | P106 | P106-R108 PolarHBondContact O-N 3.41Š| ||
| 109 | G | 69.7 | Low | 66.9 | Low | 40 Ų | 40 | 127.7 Ų | 127.7 | 41% | 0.412 | 61% | 0.611 | S | S | . | * | trans | -69.9 | 154.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K107 L111 N112 | K107-G109 PolarHBondContact O-N 3.05Å; G109-L111 PolarHBondContact O-N 2.83Å; G109-L111 VanDerWaalsContact O-N 3.1Å; G109-N112 PolarHBondContact O-N 3.24Å | ||
| 110 | W | 76.7 | Confident | 65.9 | Low | 194 Ų | 194 | 132.2 Ų | 132.2 | 74% | 0.735 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -54.8 | -27.4 | 180 | 70.4 | -74.5 | 0 | 0 | 0 | 113.9 | N112 A113 L114 | W110-N112 VanDerWaalsContact C-N 3.31Å; W110-N112 PolarHBondContact O-N 2.75Å; W110-A113 WeakPolarHBondContact O-CB 3.39Å; W110-A113 PolarHBondContact O-N 2.99Å; W110-L114 HydrophobicContact CE3-CD1 3.94Å; W110-L114 HydrophobicContact CZ3-CD1 3.76Å; W110-L114 PolarHBondContact O-N 3.02Å |
| 111 | L | 72.9 | Confident | 64.5 | Low | 89 Ų | 89 | 131.6 Ų | 131.6 | 47% | 0.466 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -60.3 | -38.2 | 176.1 | -64.1 | 175 | 0 | 0 | 0 | 112.5 | G109 A113 L114 F115 | G109-L111 PolarHBondContact O-N 2.83Å; G109-L111 VanDerWaalsContact O-N 3.1Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.41Å; L111-L114 CarbonylContact O-C 3.59Å; L111-L114 WeakPolarHBondContact O-CA 3.48Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.48Å; L111-L114 PolarHBondContact O-N 3.27Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.21Å; L111-F115 VanDerWaalsContact O-N 3.09Å |
| 112 | N | 63.2 | Low | 63.3 | Low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.4 | -25.6 | 179.9 | -71.8 | 2.3 | 0 | 0 | 0 | 112.3 | G109 W110 L114 F115 R116 | G109-N112 PolarHBondContact O-N 3.24Å; W110-N112 VanDerWaalsContact C-N 3.31Å; W110-N112 PolarHBondContact O-N 2.75Å; N112-L114 PolarHBondContact O-N 2.99Å; N112-F115 PolarHBondContact O-N 3.25Å; N112-R116 PolarHBondContact O-N 2.88Å; N112-R116 VanDerWaalsContact O-N 3.08Å |
| 113 | A | 65.8 | Low | 63.1 | Low | 63 Ų | 63 | 128.7 Ų | 128.7 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.6 | -33.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | W110 L111 R116 | W110-A113 WeakPolarHBondContact O-CB 3.39Å; W110-A113 PolarHBondContact O-N 2.99Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.41Å; A113-R116 WeakPolarHBondContact O-CB 3.48Å |
| 114 | L | 69.7 | Low | 62.9 | Low | 100 Ų | 100 | 131.5 Ų | 131.5 | 52% | 0.524 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.8 | -22.8 | 175.8 | -111.9 | 145.3 | 0 | 0 | 0 | 113.6 | W110 L111 N112 W117 | W110-L114 HydrophobicContact CE3-CD1 3.94Å; W110-L114 HydrophobicContact CZ3-CD1 3.76Å; W110-L114 PolarHBondContact O-N 3.02Å; L111-L114 CarbonylContact O-C 3.59Å; L111-L114 WeakPolarHBondContact O-CA 3.48Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.48Å; L111-L114 PolarHBondContact O-N 3.27Å; N112-L114 PolarHBondContact O-N 2.99Å; L114-W117 VanDerWaalsContact O-CD1 3.25Å; L114-W117 PolarHBondContact O-NE1 3.29Å |
| 115 | F | 65.2 | Low | 62.6 | Low | 115 Ų | 115 | 124.3 Ų | 124.3 | 50% | 0.504 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -100.3 | 2.7 | 174.5 | -69.9 | -71.5 | 0 | 0 | 0 | 114.1 | L111 N112 W117 A118 | L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.21Å; L111-F115 VanDerWaalsContact O-N 3.09Å; N112-F115 PolarHBondContact O-N 3.25Å; F115-W117 PolarHBondContact O-N 3.42Å; F115-A118 PolarHBondContact O-N 3.06Å |
| 116 | R | 58.6 | Low | 62.7 | Low | 201 Ų | 201 | 124.3 Ų | 124.3 | 76% | 0.758 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -25.5 | -176 | -163.5 | 179.9 | 78 | -134.3 | 4.6 | 113.8 | N112 A113 | N112-R116 PolarHBondContact O-N 2.88Å; N112-R116 VanDerWaalsContact O-N 3.08Å; A113-R116 WeakPolarHBondContact O-CB 3.48Å |
| 117 | W | 65.5 | Low | 63.1 | Low | 212 Ų | 212 | 123.9 Ų | 123.9 | 80% | 0.803 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -17.3 | 178.9 | 55.9 | -85.9 | 0 | 0 | 0 | 113.6 | L114 F115 | L114-W117 VanDerWaalsContact O-CD1 3.25Å; L114-W117 PolarHBondContact O-NE1 3.29Å; F115-W117 PolarHBondContact O-N 3.42Å |
| 118 | A | 64.6 | Low | 64.1 | Low | 60 Ų | 60 | 118.7 Ų | 118.7 | 50% | 0.496 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | -15.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F115 | F115-A118 PolarHBondContact O-N 3.06Š|
| 119 | I | 59.7 | Low | 65.2 | Low | 129 Ų | 129 | 114.3 Ų | 114.3 | 66% | 0.662 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -110.8 | 111.3 | 179.5 | -57.8 | 179.4 | 0 | 0 | 0 | 108.1 | A121 | I119-A121 PolarHBondContact O-N 3.1Š|
| 120 | V | 57.7 | Low | 66.1 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 81% | 0.806 | 58% | 0.577 | S | S | * | * | trans | -33.8 | 125.2 | 170.5 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | D122 | V120-D122 PolarHBondContact O-N 2.79Š| ||
| 121 | A | 49.7 | Very low | 66.8 | Low | 80 Ų | 80 | 108 Ų | 108 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | trans | 13.6 | 96.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I119 V123 | I119-A121 PolarHBondContact O-N 3.1Å; A121-V123 PolarHBondContact O-N 3.36Å | ||
| 122 | D | 51.7 | Low | 67.7 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 66% | 0.658 | 57% | 0.566 | S | S | * | * | trans | -57.4 | 85.9 | 158.7 | -165.1 | 29.5 | 0 | 0 | 0 | 106.5 | V120 E124 | V120-D122 PolarHBondContact O-N 2.79Å; D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 2.99Å | ||
| 123 | V | 59.5 | Low | 69.1 | Low | 116 Ų | 116 | 105.7 Ų | 105.7 | 70% | 0.703 | 55% | 0.545 | S | S | * | . | trans | -57.6 | 104.5 | 164.2 | 158.7 | 0 | 0 | 0 | 0 | 103.5 | A121 S125 | A121-V123 PolarHBondContact O-N 3.36Å; V123-S125 WeakPolarHBondContact O-CA 3.49Å; V123-S125 PolarHBondContact O-N 3.02Å; V123-S125 PolarHBondContact O-OG 3.39Å | ||
| 124 | E | 58.8 | Low | 70.3 | Confident | 137 Ų | 137 | 110.2 Ų | 110.2 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | trans | -41.8 | 103.7 | -179.8 | -174.8 | 90.4 | -139.5 | 0 | 0 | 107.2 | D122 R126 | D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 2.99Å; E124-R126 PolarHBondContact O-N 3.38Å | ||
| 125 | S | 56.2 | Low | 71.2 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 51% | 0.51 | 53% | 0.532 | S | S | . | . | trans | -79.1 | 72.8 | -165.1 | -44.4 | 0 | 0 | 0 | 0 | 108.2 | V123 H127 | V123-S125 WeakPolarHBondContact O-CA 3.49Å; V123-S125 PolarHBondContact O-N 3.02Å; V123-S125 PolarHBondContact O-OG 3.39Å; S125-H127 VanDerWaalsContact C-N 3.26Å; S125-H127 PolarHBondContact O-CD2 3.41Å; S125-H127 VanDerWaalsContact O-CD2 3.27Å; S125-H127 PolarHBondContact O-N 2.87Å | ||
| 126 | R | 64.4 | Low | 72.4 | Confident | 154 Ų | 154 | 105.2 Ų | 105.2 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | trans | -59.9 | 101.7 | 159.3 | -71.4 | -171.9 | -173.7 | -178.1 | -0.1 | 105.2 | E98 E124 Y128 | E98-R126 WeakPolarHBondContact OE1-CD 3.34Å; E98-R126 IonicContact OE1-NE 2.68Å; E124-R126 PolarHBondContact O-N 3.38Å; R126-Y128 HydrophobicContact CB-CD2 4.16Å; R126-Y128 HydrophobicContact CB-CE2 3.42Å; R126-Y128 VanDerWaalsContact CB-CE2 3.42Å; R126-Y128 WeakPolarHBondContact CD-OH 3.4Å; R126-Y128 WeakPolarHBondContact O-CD2 3.33Å; R126-Y128 WeakPolarHBondContact O-CE2 3.36Å; R126-Y128 PolarHBondContact O-N 3.17Å | ||
| 127 | H | 72.8 | Confident | 73.7 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | trans | -66.5 | 131.8 | 171.2 | -65.3 | -78.3 | 0 | 0 | 0 | 106.2 | N99 S125 | N99-H127 WeakPolarHBondContact CA-O 3.43Å; N99-H127 VanDerWaalsContact CB-C 3.49Å; N99-H127 HydrophobicContact CB-CB 3.57Å; N99-H127 WeakPolarHBondContact CB-O 3.44Å; N99-H127 PolarHBondContact N-O 3.35Å; S125-H127 VanDerWaalsContact C-N 3.26Å; S125-H127 PolarHBondContact O-CD2 3.41Å; S125-H127 VanDerWaalsContact O-CD2 3.27Å; S125-H127 PolarHBondContact O-N 2.87Å | ||
| 128 | Y | 82.2 | Confident | 74.6 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.7 | 171.4 | -70.4 | -92.9 | 0 | 0 | 0 | 107.8 | P95 R97 E98 R126 T130 | P95-Y128 HydrophobicContact CB-CD1 3.72Å; P95-Y128 HydrophobicContact CB-CD2 4.27Å; P95-Y128 HydrophobicContact CB-CE1 4.5Å; P95-Y128 HydrophobicContact CB-CG 3.62Å; R97-Y128 CarbonylContact O-C 3.49Å; R97-Y128 VanDerWaalsContact O-CA 3.25Å; R97-Y128 WeakPolarHBondContact O-CA 3.34Å; R97-Y128 WeakPolarHBondContact O-CB 3.14Å; R97-Y128 WeakPolarHBondContact O-CD1 3.28Å; E98-Y128 HydrophobicContact CB-CD1 4.19Å; E98-Y128 HydrophobicContact CB-CE1 3.93Å; E98-Y128 HydrophobicContact CG-CE1 4.36Å; R126-Y128 HydrophobicContact CB-CD2 4.16Å; R126-Y128 HydrophobicContact CB-CE2 3.42Å; R126-Y128 VanDerWaalsContact CB-CE2 3.42Å; R126-Y128 WeakPolarHBondContact CD-OH 3.4Å; R126-Y128 WeakPolarHBondContact O-CD2 3.33Å; R126-Y128 WeakPolarHBondContact O-CE2 3.36Å; R126-Y128 PolarHBondContact O-N 3.17Å; Y128-T130 PolarHBondContact O-N 2.94Å |
| 129 | F | 84.9 | Confident | 75.3 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 38% | 0.377 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 129.1 | 156.5 | -67.2 | -73.5 | 0 | 0 | 0 | 107.4 | V96 R97 N99 D100 L101 | V96-F129 PolarHBondContact N-O 3.31Å; R97-F129 HydrophobicContact CB-CD2 4.41Å; R97-F129 PolarHBondContact O-N 3.42Å; N99-F129 HydrophobicContact CB-CE2 4.42Å; N99-F129 WeakPolarHBondContact OD1-CZ 3.35Å; D100-F129 WeakPolarHBondContact OD1-CE2 3.29Å; L101-F129 HydrophobicContact CD1-CE1 4.23Å; L101-F129 HydrophobicContact CD1-CZ 3.97Å; L101-F129 HydrophobicContact CG-CZ 4.01Å |
| 130 | T | 89.3 | Confident | 75.7 | Confident | 53 Ų | 53 | 101.5 Ų | 101.5 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.1 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | R93 M94 Y128 | R93-T130 PolarHBondContact NE-OG1 3.39Å; R93-T130 PolarHBondContact NH2-O 3.02Å; R93-T130 PolarHBondContact NH2-OG1 3Å; M94-T130 WeakPolarHBondContact O-CA 3.49Å; M94-T130 WeakPolarHBondContact O-CB 3.35Å; Y128-T130 PolarHBondContact O-N 2.94Å |
| 131 | A | 90.1 | Very high | 76.6 | Confident | 48 Ų | 48 | 99.9 Ų | 99.9 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 157.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R93 M94 V96 | R93-A131 CarbonylContact C-O 3.56Å; R93-A131 WeakPolarHBondContact CA-O 3.25Å; M94-A131 PolarHBondContact N-O 3.49Å; M94-A131 PolarHBondContact O-N 2.79Å; M94-A131 VanDerWaalsContact O-N 3.1Å; V96-A131 HydrophobicContact CG2-CB 3.52Å |
| 132 | M | 92.3 | Very high | 78 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 138.5 | 170.5 | -71.2 | -178.9 | 178.2 | 0 | 0 | 109.6 | K91 | K91-M132 HydrophobicContact CD-CE 4.34Å |
| 133 | F | 92.1 | Very high | 79.5 | Confident | 30 Ų | 30 | 99.7 Ų | 99.7 | 13% | 0.132 | 49% | 0.494 | C | S | . | . | trans | -57.8 | 140.1 | 173.6 | -178.2 | -97.1 | 0 | 0 | 0 | 110.4 | I84 A87 E88 M92 M94 L138 | I84-F133 HydrophobicContact CB-CE1 4.23Å; I84-F133 HydrophobicContact CB-CZ 4.27Å; I84-F133 HydrophobicContact CG1-CZ 4.15Å; I84-F133 HydrophobicContact CG2-CE1 3.74Å; I84-F133 HydrophobicContact CG2-CZ 4.03Å; I84-F133 WeakPolarHBondContact O-CE1 3.25Å; A87-F133 HydrophobicContact CB-CD1 3.54Å; A87-F133 HydrophobicContact CB-CD2 4.48Å; A87-F133 HydrophobicContact CB-CE1 3.67Å; A87-F133 HydrophobicContact CB-CG 3.96Å; A87-F133 HydrophobicContact CB-CZ 4.18Å; E88-F133 HydrophobicContact CB-CD1 4.48Å; E88-F133 HydrophobicContact CG-CD1 3.6Å; E88-F133 HydrophobicContact CG-CE1 3.84Å; M92-F133 HydrophobicContact CB-CB 4.38Å; M92-F133 VanDerWaalsContact O-CB 3.28Å; M92-F133 WeakPolarHBondContact O-CB 3.41Å; M92-F133 PolarHBondContact O-N 3.18Å; M94-F133 HydrophobicContact CG-CB 4.11Å; M94-F133 HydrophobicContact CG-CD2 3.72Å; M94-F133 HydrophobicContact CG-CG 4.41Å; M94-F133 HydrophobicContact SD-CD2 4.23Å; F133-L138 HydrophobicContact CE2-CD1 4.38Å; F133-L138 HydrophobicContact CE2-CD2 4.18Å; F133-L138 HydrophobicContact CZ-CD1 3.83Å; F133-L138 HydrophobicContact CZ-CD2 4.44Å; F133-L138 HydrophobicContact CZ-CG 4.49Å | ||
| 134 | R | 90.9 | Very high | 80.7 | Confident | 157 Ų | 157 | 98.8 Ų | 98.8 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | trans | -143.4 | 103.5 | -174.7 | -81.9 | -164.6 | -168.6 | -165.5 | 3.3 | 108.4 | D136 K137 | R134-D136 VanDerWaalsContact C-N 3.26Å; R134-D136 VanDerWaalsContact CB-OD1 3.3Å; R134-D136 WeakPolarHBondContact CB-OD1 3.3Å; R134-D136 PolarHBondContact O-N 3.25Å; R134-K137 HydrophobicContact CB-CB 4.35Å; R134-K137 HydrophobicContact CB-CG 3.98Å; R134-K137 PolarHBondContact O-N 3.44Å | ||
| 135 | G | 89.2 | Confident | 82 | Confident | 16 Ų | 16 | 96.4 Ų | 96.4 | 17% | 0.165 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -64.3 | -32.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E88 K137 L138 | E88-G135 VanDerWaalsContact OE1-CA 3.27Å; E88-G135 WeakPolarHBondContact OE1-CA 3.27Å; E88-G135 PolarHBondContact OE1-N 2.71Å; G135-K137 PolarHBondContact O-N 3.16Å; G135-L138 PolarHBondContact O-N 3.05Å; G135-L138 VanDerWaalsContact O-N 3.16Å |
| 136 | D | 89.3 | Confident | 83.8 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -60.2 | -18.1 | 176.3 | 73.9 | -59.5 | 0 | 0 | 0 | 113.8 | R134 | R134-D136 VanDerWaalsContact C-N 3.26Å; R134-D136 VanDerWaalsContact CB-OD1 3.3Å; R134-D136 WeakPolarHBondContact CB-OD1 3.3Å; R134-D136 PolarHBondContact O-N 3.25Å |
| 137 | K | 86.8 | Confident | 85.1 | Confident | 95 Ų | 95 | 93.9 Ų | 93.9 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -99.4 | -2.2 | -178.2 | -59.6 | -53 | -176.3 | -169.9 | 0 | 114.9 | R134 G135 N139 Q140 | R134-K137 HydrophobicContact CB-CB 4.35Å; R134-K137 HydrophobicContact CB-CG 3.98Å; R134-K137 PolarHBondContact O-N 3.44Å; G135-K137 PolarHBondContact O-N 3.16Å; K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.45Å; K137-Q140 HydrophobicContact CD-CG 4.41Å; K137-Q140 VanDerWaalsContact NZ-NE2 3.13Å |
| 138 | L | 84.5 | Confident | 86.1 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -25.5 | -174.5 | -68.1 | 172 | 0 | 0 | 0 | 114.2 | W80 I84 F133 G135 | W80-L138 HydrophobicContact CZ2-CD1 4.46Å; I84-L138 HydrophobicContact CB-CD1 4.49Å; I84-L138 HydrophobicContact CD1-CD1 3.41Å; I84-L138 VanDerWaalsContact CD1-CD1 3.41Å; I84-L138 HydrophobicContact CG1-CD1 3.56Å; I84-L138 HydrophobicContact CG2-CD1 4.1Å; F133-L138 HydrophobicContact CE2-CD1 4.38Å; F133-L138 HydrophobicContact CE2-CD2 4.18Å; F133-L138 HydrophobicContact CZ-CD1 3.83Å; F133-L138 HydrophobicContact CZ-CD2 4.44Å; F133-L138 HydrophobicContact CZ-CG 4.49Å; G135-L138 PolarHBondContact O-N 3.05Å; G135-L138 VanDerWaalsContact O-N 3.16Å |
| 139 | N | 79.5 | Confident | 86.4 | Confident | 164 Ų | 164 | 93.8 Ų | 93.8 | 88% | 0.877 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 16.3 | -177 | -62 | -26.2 | 0 | 0 | 0 | 113.3 | K137 | K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.45Å |
| 140 | Q | 68.1 | Low | 86.6 | Confident | 192 Ų | 192 | 94.5 Ų | 94.5 | 90% | 0.897 | 48% | 0.478 | S | S | * | . | trans | -93 | 0 | -178.8 | -63.8 | -162.2 | -13.1 | 0 | 0 | 113.3 | K137 | K137-Q140 HydrophobicContact CD-CG 4.41Å; K137-Q140 VanDerWaalsContact NZ-NE2 3.13Å |
Retrieved 140 of 140 residues in 65 ms
(Link to these results)