| 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 | 64.1 | Low | 55.6 | Low | 222 Ų | 222 | 176.9 Ų | 176.9 | 100% | 1.094 | 81% | 0.81 | S | S | * | * | 0 | 81.5 | 0 | -68.6 | -164.2 | 163.7 | 0 | 0 | 109.4 | Q3 | M1-Q3 PolarHBondContact O-N 2.91Š| |||
| 2 | H | 50.1 | Low | 57.7 | Low | 193 Ų | 193 | 166.9 Ų | 166.9 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -82.4 | 100.7 | -177.4 | -65.3 | 111.5 | 0 | 0 | 0 | 110.1 | Q4 | H2-Q4 PolarHBondContact O-N 3.15Š| ||
| 3 | Q | 48.3 | Very low | 59.7 | Low | 183 Ų | 183 | 156.4 Ų | 156.4 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -70.1 | 111.2 | 170.8 | -74.7 | 166.9 | 65.8 | 0 | 0 | 108.8 | M1 Q5 | M1-Q3 PolarHBondContact O-N 2.91Å; Q3-Q5 PolarHBondContact O-N 2.64Å | ||
| 4 | Q | 52 | Low | 61.7 | Low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 68% | 0.676 | S | S | * | * | trans | -77.7 | 117 | 170.4 | -73.7 | 175.5 | 24.1 | 0 | 0 | 108.7 | H2 H6 | H2-Q4 PolarHBondContact O-N 3.15Å; Q4-H6 PolarHBondContact O-N 2.74Å | ||
| 5 | Q | 52 | Low | 63.4 | Low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -69.1 | 110.4 | 173.8 | -63.2 | 176.9 | 31.2 | 0 | 0 | 108.8 | Q3 Q7 | Q3-Q5 PolarHBondContact O-N 2.64Å; Q5-Q7 PolarHBondContact O-N 3.05Å | ||
| 6 | H | 48.8 | Very low | 64.9 | Low | 184 Ų | 184 | 139.1 Ų | 139.1 | 85% | 0.852 | 63% | 0.634 | S | S | * | * | trans | -64.4 | 96.3 | 165.8 | -101.5 | -145.5 | 0 | 0 | 0 | 108.5 | Q4 E8 | Q4-H6 PolarHBondContact O-N 2.74Å; H6-E8 PolarHBondContact O-N 3.29Å | ||
| 7 | Q | 52.1 | Low | 66.4 | Low | 172 Ų | 172 | 131.1 Ų | 131.1 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -69.3 | 111.5 | 165.5 | -68.8 | -178.3 | 15.4 | 0 | 0 | 107.8 | Q5 R9 | Q5-Q7 PolarHBondContact O-N 3.05Å; Q7-R9 PolarHBondContact O-N 3.25Å; Q7-R9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | E | 52.8 | Low | 67.5 | Low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | -56.2 | 113.9 | 175 | -72.4 | -173.8 | 99.9 | 0 | 0 | 109.7 | H6 | H6-E8 PolarHBondContact O-N 3.29Š| ||
| 9 | R | 56.8 | Low | 68.5 | Low | 181 Ų | 181 | 127.8 Ų | 127.8 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.4 | 174.7 | -67.5 | -164.3 | 65.8 | -120.9 | -12.2 | 108.8 | Q7 R11 E12 | Q7-R9 PolarHBondContact O-N 3.25Å; Q7-R9 VanDerWaalsContact O-N 3.1Å; R9-R11 PolarHBondContact O-N 2.65Å; R9-E12 IonicContact CZ-OE1 3.62Å; R9-E12 IonicContact NH1-OE1 3.53Å; R9-E12 IonicContact NH2-OE1 2.81Å; R9-E12 PolarHBondContact NH2-OE1 3.11Å |
| 10 | P | 64.4 | Low | 69.4 | Low | 64 Ų | 64 | 123.8 Ų | 123.8 | 42% | 0.416 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 133.2 | 176.2 | -26.9 | 33.2 | 0 | 0 | 0 | 111 | E12 F62 | P10-E12 PolarHBondContact O-N 3.37Å; P10-E12 VanDerWaalsContact O-N 3.12Å; P10-F62 HydrophobicContact CB-CB 4.49Å; P10-F62 HydrophobicContact CB-CD1 4.47Å |
| 11 | R | 70.4 | Confident | 70 | Confident | 201 Ų | 201 | 120.7 Ų | 120.7 | 76% | 0.758 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 117.2 | -179.9 | -68.7 | -175.3 | -179.9 | -172.4 | 0.5 | 108.9 | R9 L63 | R9-R11 PolarHBondContact O-N 2.65Å; R11-L63 HydrophobicContact CB-CD1 4.46Å; R11-L63 PolarHBondContact O-N 3.48Å; R11-L63 VanDerWaalsContact O-N 3.09Å |
| 12 | E | 80.4 | Confident | 71 | Confident | 57 Ų | 57 | 110.7 Ų | 110.7 | 27% | 0.266 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.6 | 179.4 | -55.2 | -176.8 | 166.8 | 0 | 0 | 109 | R9 P10 Y14 K60 F62 | R9-E12 IonicContact CZ-OE1 3.62Å; R9-E12 IonicContact NH1-OE1 3.53Å; R9-E12 IonicContact NH2-OE1 2.81Å; R9-E12 PolarHBondContact NH2-OE1 3.11Å; P10-E12 PolarHBondContact O-N 3.37Å; P10-E12 VanDerWaalsContact O-N 3.12Å; E12-Y14 HydrophobicContact CB-CE2 4.37Å; E12-Y14 PolarHBondContact OE2-OH 3.45Å; E12-K60 WeakPolarHBondContact OE1-CE 3.32Å; E12-K60 IonicContact OE1-NZ 2.69Å; E12-K60 PolarHBondContact OE1-NZ 3.06Å; E12-K60 WeakPolarHBondContact OE2-CE 3.23Å; E12-K60 IonicContact OE2-NZ 3.58Å; E12-K60 PolarHBondContact OE2-NZ 3.16Å; E12-F62 HydrophobicContact CG-CD1 4.08Å; E12-F62 HydrophobicContact CG-CE1 3.91Å |
| 13 | V | 84.4 | Confident | 72.5 | Confident | 30 Ų | 30 | 104.5 Ų | 104.5 | 18% | 0.182 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.8 | 176 | 177.8 | 0 | 0 | 0 | 0 | 109 | T61 L63 | V13-T61 PolarHBondContact N-O 3.44Å; V13-T61 PolarHBondContact O-N 3.39Å; V13-T61 PolarHBondContact O-OG1 3Å; V13-L63 HydrophobicContact CB-CG 4.49Å; V13-L63 HydrophobicContact CG2-CD1 3.54Å; V13-L63 HydrophobicContact CG2-CD2 4.3Å; V13-L63 HydrophobicContact CG2-CG 3.58Å |
| 14 | Y | 86.9 | Confident | 73.9 | Confident | 27 Ų | 27 | 105.5 Ų | 105.5 | 11% | 0.106 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.9 | 179.2 | -64.5 | -90.9 | 0 | 0 | 0 | 108.7 | E12 Y36 R55 H58 K60 | E12-Y14 HydrophobicContact CB-CE2 4.37Å; E12-Y14 PolarHBondContact OE2-OH 3.45Å; Y14-Y36 HydrophobicContact CD2-CD1 4.37Å; Y14-Y36 HydrophobicContact CG-CG 4.43Å; Y14-Y36 WeakPolarHBondContact O-CB 3.49Å; Y14-Y36 PolarHBondContact O-N 3.46Å; Y14-Y36 VanDerWaalsContact O-N 3.08Å; Y14-R55 HydrophobicContact CD1-CB 4.1Å; Y14-R55 WeakPolarHBondContact CD1-O 3.39Å; Y14-R55 HydrophobicContact CE1-CB 4.06Å; Y14-R55 HydrophobicContact CE1-CG 4.16Å; Y14-R55 HydrophobicContact CG-CB 4.4Å; Y14-H58 HydrophobicContact CD1-CB 4.34Å; Y14-K60 HydrophobicContact CD1-CB 4.43Å; Y14-K60 HydrophobicContact CE1-CB 4.35Å; Y14-K60 HydrophobicContact CE1-CD 4.36Å; Y14-K60 HydrophobicContact CE1-CG 4.24Å |
| 15 | R | 87 | Confident | 75.3 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -129.7 | -174.7 | -50.2 | -130.8 | 99.4 | 159.8 | 9.2 | 110.8 | E35 Y36 H58 R59 T61 | R15-E35 CarbonylContact O-C 3.23Å; R15-Y36 PolarHBondContact O-N 3.2Å; R15-H58 PolarHBondContact O-ND1 2.89Å; R15-R59 HydrophobicContact CB-CB 4.48Å; R15-R59 PolarHBondContact N-O 3.2Å; R15-T61 HydrophobicContact CG-CG2 3.84Å; R15-T61 WeakPolarHBondContact CG-OG1 3.32Å |
| 16 | E | 88.3 | Confident | 76.6 | Confident | 58 Ų | 58 | 96 Ų | 96 | 27% | 0.271 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 152.4 | -175.9 | 71.9 | -87.5 | -150.9 | 0 | 0 | 113.9 | C33 H58 R59 | E16-C33 WeakPolarHBondContact CA-O 3.19Å; E16-C33 WeakPolarHBondContact CB-O 3.36Å; E16-H58 VanDerWaalsContact O-CA 3.23Å; E16-H58 WeakPolarHBondContact O-CA 3.44Å; E16-R59 PolarHBondContact O-N 2.83Å; E16-R59 IonicContact OE1-CZ 2.64Å; E16-R59 IonicContact OE1-NE 2.79Å; E16-R59 IonicContact OE1-NH1 2.88Å; E16-R59 PolarHBondContact OE1-NH1 2.93Å; E16-R59 IonicContact OE1-NH2 2.69Å; E16-R59 PolarHBondContact OE1-NH2 3.27Å; E16-R59 IonicContact OE2-CZ 3.17Å; E16-R59 IonicContact OE2-NE 3.14Å; E16-R59 PolarHBondContact OE2-NE 3.37Å; E16-R59 IonicContact OE2-NH1 3.15Å; E16-R59 IonicContact OE2-NH2 3.87Å; E16-R59 PolarHBondContact OE2-NH2 2.95Å |
| 17 | C | 90 | Very high | 77.9 | Confident | 2 Ų | 2 | 90.7 Ų | 90.7 | 1% | 0.014 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.5 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | R19 C33 | C17-R19 WeakPolarHBondContact SG-CB 3.36Å; C17-R19 PolarHBondContact SG-N 2.83Å; C17-C33 PolarHBondContact N-O 3.11Å |
| 18 | M | 87.1 | Confident | 79.2 | Confident | 104 Ų | 104 | 89.7 Ų | 89.7 | 51% | 0.512 | 42% | 0.422 | S | S | . | . | trans | -96.3 | 12.5 | 177 | -59.1 | -175.1 | -66.6 | 0 | 0 | 112.9 | F57 R59 | M18-F57 WeakPolarHBondContact CB-O 3.43Å; M18-F57 PolarHBondContact N-O 3.26Å; M18-R59 HydrophobicContact CE-CB 4.1Å; M18-R59 HydrophobicContact CG-CB 4.41Å; M18-R59 HydrophobicContact SD-CB 3.96Å; M18-R59 HydrophobicContact SD-CG 4.38Å | ||
| 19 | R | 86.2 | Confident | 80.3 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 37% | 0.366 | 40% | 0.4 | S | S | . | . | trans | -78.2 | 133.1 | 179.8 | -162 | 173.6 | -143.6 | 178 | 7.5 | 110 | C17 H21 S30 C53 F57 | C17-R19 WeakPolarHBondContact SG-CB 3.36Å; C17-R19 PolarHBondContact SG-N 2.83Å; R19-H21 PolarHBondContact O-CD2 3.07Å; R19-H21 VanDerWaalsContact O-CD2 3.26Å; R19-H21 PolarHBondContact O-N 2.64Å; R19-S30 WeakPolarHBondContact O-CA 3.21Å; R19-C53 WeakPolarHBondContact CD-SG 3.31Å; R19-C53 PolarHBondContact NH1-SG 3.21Å; R19-C53 VanDerWaalsContact NH1-SG 3.37Å; R19-F57 HydrophobicContact CB-CB 4.26Å; R19-F57 HydrophobicContact CB-CD1 4.1Å; R19-F57 HydrophobicContact CB-CG 4.26Å; R19-F57 HydrophobicContact CG-CD1 4.03Å; R19-F57 HydrophobicContact CG-CE1 4.32Å; R19-F57 HydrophobicContact CG-CG 4.4Å; R19-F57 VanDerWaalsContact NH2-CE2 3.3Å | ||
| 20 | N | 86.8 | Confident | 81.1 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -77.9 | 102.5 | 168.4 | -179 | 8.7 | 0 | 0 | 0 | 109.3 | A22 A23 T27 Y28 A29 | N20-A22 VanDerWaalsContact C-N 3.35Å; N20-A22 PolarHBondContact OD1-N 2.93Å; N20-A22 VanDerWaalsContact OD1-N 3.08Å; N20-A23 HydrophobicContact CB-CB 4.2Å; N20-A23 WeakPolarHBondContact O-CB 3.45Å; N20-A23 PolarHBondContact O-N 2.89Å; N20-A23 PolarHBondContact OD1-N 3.09Å; N20-T27 PolarHBondContact ND2-O 3.02Å; N20-T27 PolarHBondContact OD1-O 2.95Å; N20-Y28 HydrophobicContact CB-CD2 4.09Å; N20-Y28 HydrophobicContact CB-CE2 4.13Å; N20-A29 PolarHBondContact OD1-N 3.37Å; N20-A29 PolarHBondContact OD1-O 3.18Å |
| 21 | H | 81.9 | Confident | 81 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -74.1 | -29.8 | 178.5 | -77.6 | -105.5 | 0 | 0 | 0 | 111.9 | R19 A23 A29 D31 C53 | R19-H21 PolarHBondContact O-CD2 3.07Å; R19-H21 VanDerWaalsContact O-CD2 3.26Å; R19-H21 PolarHBondContact O-N 2.64Å; H21-A23 PolarHBondContact O-N 2.89Å; H21-A29 PolarHBondContact N-O 3.42Å; H21-D31 HydrophobicContact CB-CB 3.59Å; H21-D31 VanDerWaalsContact CD2-CB 3.42Å; H21-D31 WeakPolarHBondContact CD2-CB 3.32Å; H21-D31 PolarHBondContact CD2-N 2.8Å; H21-D31 IonicContact ND1-OD2 3.44Å; H21-C53 PolarHBondContact CE1-SG 3.32Å; H21-C53 PolarHBondContact NE2-SG 3.14Å; H21-C53 VanDerWaalsContact NE2-SG 3.41Å |
| 22 | A | 83.5 | Confident | 80.7 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -83.8 | 7.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | N20 K24 L25 G26 T27 A29 | N20-A22 VanDerWaalsContact C-N 3.35Å; N20-A22 PolarHBondContact OD1-N 2.93Å; N20-A22 VanDerWaalsContact OD1-N 3.08Å; A22-K24 PolarHBondContact O-N 3.3Å; A22-L25 CarbonylContact O-C 3.39Å; A22-L25 WeakPolarHBondContact O-CA 3.35Å; A22-L25 WeakPolarHBondContact O-CB 3.46Å; A22-L25 PolarHBondContact O-N 3.46Å; A22-G26 PolarHBondContact O-N 3.03Å; A22-T27 CarbonylContact C-O 3.56Å; A22-T27 VanDerWaalsContact C-O 3.25Å; A22-T27 WeakPolarHBondContact CB-OG1 3.38Å; A22-T27 PolarHBondContact O-N 3.34Å; A22-A29 HydrophobicContact CB-CB 3.82Å; A22-A29 PolarHBondContact N-O 3.45Å |
| 23 | A | 81.6 | Confident | 80.4 | Confident | 63 Ų | 63 | 70 Ų | 70 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -55 | -31 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N20 H21 L25 G26 | N20-A23 HydrophobicContact CB-CB 4.2Å; N20-A23 WeakPolarHBondContact O-CB 3.45Å; N20-A23 PolarHBondContact O-N 2.89Å; N20-A23 PolarHBondContact OD1-N 3.09Å; H21-A23 PolarHBondContact O-N 2.89Å; A23-L25 VanDerWaalsContact C-N 3.32Å; A23-G26 PolarHBondContact O-N 2.98Å |
| 24 | K | 79.2 | Confident | 79.7 | Confident | 205 Ų | 205 | 74.3 Ų | 74.3 | 89% | 0.891 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -69.7 | -28.4 | 175.1 | -67.9 | -179.6 | -179.1 | 175.8 | 0 | 113.2 | A22 G26 | A22-K24 PolarHBondContact O-N 3.3Å; K24-G26 VanDerWaalsContact C-N 3.35Å |
| 25 | L | 80.6 | Confident | 79.5 | Confident | 138 Ų | 138 | 78.1 Ų | 78.1 | 72% | 0.723 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -90 | -2.3 | 179.2 | -61.9 | 173.2 | 0 | 0 | 0 | 112.3 | A22 A23 T27 | A22-L25 CarbonylContact O-C 3.39Å; A22-L25 WeakPolarHBondContact O-CA 3.35Å; A22-L25 WeakPolarHBondContact O-CB 3.46Å; A22-L25 PolarHBondContact O-N 3.46Å; A23-L25 VanDerWaalsContact C-N 3.32Å; L25-T27 VanDerWaalsContact C-N 3.25Å; L25-T27 PolarHBondContact O-N 3.48Å |
| 26 | G | 79 | Confident | 79.3 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | A22 A23 K24 Q121 | A22-G26 PolarHBondContact O-N 3.03Å; A23-G26 PolarHBondContact O-N 2.98Å; K24-G26 VanDerWaalsContact C-N 3.35Å; G26-Q121 PolarHBondContact O-NE2 3.39Å |
| 27 | T | 77.5 | Confident | 79 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -114.2 | 170.5 | 178.3 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | N20 A22 L25 | N20-T27 PolarHBondContact ND2-O 3.02Å; N20-T27 PolarHBondContact OD1-O 2.95Å; A22-T27 CarbonylContact C-O 3.56Å; A22-T27 VanDerWaalsContact C-O 3.25Å; A22-T27 WeakPolarHBondContact CB-OG1 3.38Å; A22-T27 PolarHBondContact O-N 3.34Å; L25-T27 VanDerWaalsContact C-N 3.25Å; L25-T27 PolarHBondContact O-N 3.48Å |
| 28 | Y | 78.5 | Confident | 78.5 | Confident | 151 Ų | 151 | 77.3 Ų | 77.3 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | trans | -109 | 111.6 | 175.5 | -171.9 | -87 | 0 | 0 | 0 | 110.1 | N20 | N20-Y28 HydrophobicContact CB-CD2 4.09Å; N20-Y28 HydrophobicContact CB-CE2 4.13Å | ||
| 29 | A | 76.1 | Confident | 78 | Confident | 48 Ų | 48 | 76.6 Ų | 76.6 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | trans | -145 | 120.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | N20 H21 A22 D31 | N20-A29 PolarHBondContact OD1-N 3.37Å; N20-A29 PolarHBondContact OD1-O 3.18Å; H21-A29 PolarHBondContact N-O 3.42Å; A22-A29 HydrophobicContact CB-CB 3.82Å; A22-A29 PolarHBondContact N-O 3.45Å; A29-D31 PolarHBondContact O-N 2.64Å | ||
| 30 | S | 74 | Confident | 77.2 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 43% | 0.427 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -77.7 | 111 | 163.6 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | R19 G32 | R19-S30 WeakPolarHBondContact O-CA 3.21Å; S30-G32 PolarHBondContact O-N 2.86Å |
| 31 | D | 62.8 | Low | 76.4 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | trans | -75 | 75.5 | 165.5 | -165.9 | 12.2 | 0 | 0 | 0 | 106.9 | H21 A29 C33 | H21-D31 HydrophobicContact CB-CB 3.59Å; H21-D31 VanDerWaalsContact CD2-CB 3.42Å; H21-D31 WeakPolarHBondContact CD2-CB 3.32Å; H21-D31 PolarHBondContact CD2-N 2.8Å; H21-D31 IonicContact ND1-OD2 3.44Å; A29-D31 PolarHBondContact O-N 2.64Å; D31-C33 PolarHBondContact O-N 3.17Å | ||
| 32 | G | 62.9 | Low | 75.4 | Confident | 40 Ų | 40 | 83.3 Ų | 83.3 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | trans | -86.4 | 113.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S30 | S30-G32 PolarHBondContact O-N 2.86Š| ||
| 33 | C | 74.3 | Confident | 74.3 | Confident | 18 Ų | 18 | 89.2 Ų | 89.2 | 12% | 0.122 | 52% | 0.519 | C | S | . | . | trans | -65.4 | 140.5 | 149.6 | 42.3 | 0 | 0 | 0 | 0 | 109 | E16 C17 D31 E35 C48 A50 C51 H58 | E16-C33 WeakPolarHBondContact CA-O 3.19Å; E16-C33 WeakPolarHBondContact CB-O 3.36Å; C17-C33 PolarHBondContact N-O 3.11Å; D31-C33 PolarHBondContact O-N 3.17Å; C33-E35 VanDerWaalsContact C-N 3.29Å; C33-C48 VanDerWaalsContact SG-SG 3.66Å; C33-A50 HydrophobicContact CB-CB 3.72Å; C33-C51 PolarHBondContact SG-SG 2.64Å; C33-H58 PolarHBondContact SG-CE1 3.43Å | ||
| 34 | C | 70.4 | Confident | 73.5 | Confident | 119 Ų | 119 | 89 Ų | 89 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -75.7 | -21.3 | -177.2 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 35 | E | 81.2 | Confident | 73.2 | Confident | 107 Ų | 107 | 80.5 Ų | 80.5 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -147.5 | 149.7 | 178.8 | -175 | 162.6 | -143.4 | 0 | 0 | 109.6 | R15 C33 T37 | R15-E35 CarbonylContact O-C 3.23Å; C33-E35 VanDerWaalsContact C-N 3.29Å; E35-T37 PolarHBondContact O-N 3.38Å; E35-T37 VanDerWaalsContact O-N 3.16Å |
| 36 | Y | 82.7 | Confident | 73.4 | Confident | 28 Ų | 28 | 77.3 Ų | 77.3 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | trans | -69.7 | 109.9 | 174.9 | 176.4 | -103.1 | 0 | 0 | 0 | 110.4 | Y14 R15 P38 P45 L47 C48 R55 H58 | Y14-Y36 HydrophobicContact CD2-CD1 4.37Å; Y14-Y36 HydrophobicContact CG-CG 4.43Å; Y14-Y36 WeakPolarHBondContact O-CB 3.49Å; Y14-Y36 PolarHBondContact O-N 3.46Å; Y14-Y36 VanDerWaalsContact O-N 3.08Å; R15-Y36 PolarHBondContact O-N 3.2Å; Y36-P38 HydrophobicContact CE1-CB 3.97Å; Y36-P38 VanDerWaalsContact O-CD 3.22Å; Y36-P38 WeakPolarHBondContact O-CD 3.45Å; Y36-P45 PolarHBondContact OH-O 2.77Å; Y36-L47 PolarHBondContact OH-O 3.06Å; Y36-C48 HydrophobicContact CD2-CB 3.79Å; Y36-C48 HydrophobicContact CE2-CB 3.77Å; Y36-R55 HydrophobicContact CD2-CB 4.2Å; Y36-R55 HydrophobicContact CE2-CB 3.74Å; Y36-H58 AromaticContact CD2-CD2 3.95Å; Y36-H58 AromaticContact CD2-CE1 3.78Å; Y36-H58 AromaticContact CD2-CG 3.98Å; Y36-H58 AromaticContact CD2-ND1 3.92Å; Y36-H58 AromaticContact CD2-NE2 3.84Å | ||
| 37 | T | 82.8 | Confident | 73.7 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | trans | -89.6 | 108.1 | 170.8 | -44.9 | 0 | 0 | 0 | 0 | 109.6 | E35 C48 A49 | E35-T37 PolarHBondContact O-N 3.38Å; E35-T37 VanDerWaalsContact O-N 3.16Å; T37-C48 CarbonylContact O-C 3.54Å; T37-C48 VanDerWaalsContact O-CA 3.32Å; T37-C48 WeakPolarHBondContact O-CA 3.38Å; T37-A49 HydrophobicContact CG2-CB 4.12Å; T37-A49 PolarHBondContact O-N 3.47Å | ||
| 38 | P | 79.6 | Confident | 74.1 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 36% | 0.357 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 146.4 | 170.8 | 24.6 | -31.6 | 0 | 0 | 0 | 110.7 | Y36 P45 | Y36-P38 HydrophobicContact CE1-CB 3.97Å; Y36-P38 VanDerWaalsContact O-CD 3.22Å; Y36-P38 WeakPolarHBondContact O-CD 3.45Å; P38-P45 HydrophobicContact CB-CB 4.27Å; P38-P45 HydrophobicContact CB-CG 3.21Å |
| 39 | D | 75.8 | Confident | 74.4 | Confident | 89 Ų | 89 | 73.1 Ų | 73.1 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | trans | -81.3 | 119.2 | 168.5 | -176.9 | 10.4 | 0 | 0 | 0 | 109.3 | G41 P45 | D39-G41 PolarHBondContact O-N 3.2Å; D39-P45 HydrophobicContact CB-CB 3.97Å; D39-P45 VanDerWaalsContact N-CB 3.34Å; D39-P45 VanDerWaalsContact O-CB 3.29Å; D39-P45 WeakPolarHBondContact O-CB 3.46Å; D39-P45 WeakPolarHBondContact O-CG 3.47Å | ||
| 40 | D | 70.3 | Confident | 74.8 | Confident | 158 Ų | 158 | 74.1 Ų | 74.1 | 85% | 0.845 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6 | -170.3 | -61.3 | -59 | 0 | 0 | 0 | 113.9 | ||
| 41 | G | 69.4 | Low | 75.4 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | D39 | D39-G41 PolarHBondContact O-N 3.2Š|
| 42 | Q | 60.7 | Low | 76.5 | Confident | 133 Ų | 133 | 69.3 Ų | 69.3 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -137.7 | 147.3 | -175.5 | -69.3 | -65.2 | -67.1 | 0 | 0 | 112.6 | A44 P45 | Q42-A44 PolarHBondContact O-N 3.09Å; Q42-P45 WeakPolarHBondContact O-CD 3.47Å |
| 43 | P | 60.3 | Low | 77.7 | Confident | 136 Ų | 136 | 67.4 Ų | 67.4 | 88% | 0.883 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -67.4 | -9.8 | -176.8 | 26.3 | -34.5 | 0 | 0 | 0 | 114.5 | ||
| 44 | A | 65.9 | Low | 78.4 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -156.1 | 77.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q42 M46 | Q42-A44 PolarHBondContact O-N 3.09Å; A44-M46 PolarHBondContact O-N 2.96Å; A44-M46 VanDerWaalsContact O-N 3.17Å |
| 45 | P | 73.5 | Confident | 79.3 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | trans | -60.7 | 129.8 | -179.1 | 25.4 | -28.4 | 0 | 0 | 0 | 107.8 | Y36 P38 D39 Q42 | Y36-P45 PolarHBondContact OH-O 2.77Å; P38-P45 HydrophobicContact CB-CB 4.27Å; P38-P45 HydrophobicContact CB-CG 3.21Å; D39-P45 HydrophobicContact CB-CB 3.97Å; D39-P45 VanDerWaalsContact N-CB 3.34Å; D39-P45 VanDerWaalsContact O-CB 3.29Å; D39-P45 WeakPolarHBondContact O-CB 3.46Å; D39-P45 WeakPolarHBondContact O-CG 3.47Å; Q42-P45 WeakPolarHBondContact O-CD 3.47Å | ||
| 46 | M | 84 | Confident | 79.6 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | trans | -96.2 | -14.8 | -179.8 | -67.4 | -66.2 | -89.9 | 0 | 0 | 110.9 | A44 H54 R55 | A44-M46 PolarHBondContact O-N 2.96Å; A44-M46 VanDerWaalsContact O-N 3.17Å; M46-H54 VanDerWaalsContact CE-CE1 3.4Å; M46-H54 WeakPolarHBondContact CE-CE1 3.41Å; M46-H54 VanDerWaalsContact CE-NE2 3.35Å; M46-H54 WeakPolarHBondContact CE-NE2 3.05Å; M46-H54 CarbonylContact O-C 3.53Å; M46-H54 WeakPolarHBondContact O-CA 3.46Å; M46-R55 PolarHBondContact O-N 3.3Å; M46-R55 HydrophobicContact SD-CG 4.48Å; M46-R55 PolarHBondContact SD-NE 3.41Å; M46-R55 PolarHBondContact SD-NH1 3.12Å; M46-R55 VanDerWaalsContact SD-NH1 3.37Å | ||
| 47 | L | 86 | Confident | 79.9 | Confident | 94 Ų | 94 | 69.8 Ų | 69.8 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 147.4 | -177.7 | -56.7 | 179.8 | 0 | 0 | 0 | 109.6 | Y36 C53 H54 | Y36-L47 PolarHBondContact OH-O 3.06Å; L47-C53 CarbonylContact C-O 3.25Å; L47-C53 WeakPolarHBondContact CA-O 3.16Å; L47-H54 HydrophobicContact CD2-CB 4.42Å |
| 48 | C | 84.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -82.4 | 128.4 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | C33 Y36 T37 A50 C51 G52 C53 H58 | C33-C48 VanDerWaalsContact SG-SG 3.66Å; Y36-C48 HydrophobicContact CD2-CB 3.79Å; Y36-C48 HydrophobicContact CE2-CB 3.77Å; T37-C48 CarbonylContact O-C 3.54Å; T37-C48 VanDerWaalsContact O-CA 3.32Å; T37-C48 WeakPolarHBondContact O-CA 3.38Å; C48-A50 PolarHBondContact O-N 3.2Å; C48-C51 VanDerWaalsContact CB-SG 3.6Å; C48-G52 WeakPolarHBondContact O-CA 3.48Å; C48-G52 PolarHBondContact O-N 2.88Å; C48-C53 PolarHBondContact N-O 3.46Å; C48-H58 VanDerWaalsContact CB-NE2 3.34Å; C48-H58 WeakPolarHBondContact CB-NE2 3.29Å; C48-H58 VanDerWaalsContact SG-CE1 3.59Å |
| 49 | A | 85.6 | Confident | 80.7 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T37 | T37-A49 HydrophobicContact CG2-CB 4.12Å; T37-A49 PolarHBondContact O-N 3.47Å |
| 50 | A | 83.4 | Confident | 81.3 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -47.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C33 C48 | C33-A50 HydrophobicContact CB-CB 3.72Å; C48-A50 PolarHBondContact O-N 3.2Å |
| 51 | C | 86.1 | Confident | 82 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 14% | 0.142 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -2.8 | -173.1 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | C33 C48 C53 | C33-C51 PolarHBondContact SG-SG 2.64Å; C48-C51 VanDerWaalsContact CB-SG 3.6Å; C51-C53 PolarHBondContact O-N 3.02Å; C51-C53 PolarHBondContact O-SG 3.15Å; C51-C53 VanDerWaalsContact O-SG 3.37Å; C51-C53 WeakPolarHBondContact SG-CB 3.16Å; C51-C53 PolarHBondContact SG-N 3.13Å; C51-C53 VanDerWaalsContact SG-SG 3.68Å |
| 52 | G | 86.2 | Confident | 82.6 | Confident | 46 Ų | 46 | 66 Ų | 66 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | trans | 64.9 | 7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | C48 | C48-G52 WeakPolarHBondContact O-CA 3.48Å; C48-G52 PolarHBondContact O-N 2.88Å | ||
| 53 | C | 88.2 | Confident | 83 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -84.2 | 150.1 | -177.7 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | R19 H21 L47 C48 C51 F57 | R19-C53 WeakPolarHBondContact CD-SG 3.31Å; R19-C53 PolarHBondContact NH1-SG 3.21Å; R19-C53 VanDerWaalsContact NH1-SG 3.37Å; H21-C53 PolarHBondContact CE1-SG 3.32Å; H21-C53 PolarHBondContact NE2-SG 3.14Å; H21-C53 VanDerWaalsContact NE2-SG 3.41Å; L47-C53 CarbonylContact C-O 3.25Å; L47-C53 WeakPolarHBondContact CA-O 3.16Å; C48-C53 PolarHBondContact N-O 3.46Å; C51-C53 PolarHBondContact O-N 3.02Å; C51-C53 PolarHBondContact O-SG 3.15Å; C51-C53 VanDerWaalsContact O-SG 3.37Å; C51-C53 WeakPolarHBondContact SG-CB 3.16Å; C51-C53 PolarHBondContact SG-N 3.13Å; C51-C53 VanDerWaalsContact SG-SG 3.68Å; C53-F57 HydrophobicContact CB-CB 4.14Å; C53-F57 HydrophobicContact CB-CD2 4.16Å; C53-F57 HydrophobicContact CB-CG 4.44Å | ||
| 54 | H | 90 | Very high | 82.5 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 143.3 | 173.8 | -169.3 | -55.2 | 0 | 0 | 0 | 110.6 | M46 L47 N56 F57 | M46-H54 VanDerWaalsContact CE-CE1 3.4Å; M46-H54 WeakPolarHBondContact CE-CE1 3.41Å; M46-H54 VanDerWaalsContact CE-NE2 3.35Å; M46-H54 WeakPolarHBondContact CE-NE2 3.05Å; M46-H54 CarbonylContact O-C 3.53Å; M46-H54 WeakPolarHBondContact O-CA 3.46Å; L47-H54 HydrophobicContact CD2-CB 4.42Å; H54-N56 PolarHBondContact CE1-ND2 3.13Å; H54-N56 PolarHBondContact ND1-N 3.08Å; H54-N56 VanDerWaalsContact ND1-N 3.19Å; H54-N56 PolarHBondContact O-N 2.86Å; H54-F57 HydrophobicContact CB-CD2 3.8Å; H54-F57 HydrophobicContact CB-CE2 4.01Å; H54-F57 WeakPolarHBondContact O-CB 3.45Å; H54-F57 WeakPolarHBondContact O-CD2 3.44Å; H54-F57 PolarHBondContact O-N 3.37Å |
| 55 | R | 88.2 | Confident | 81.8 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -48 | -26.9 | 176.1 | 68.8 | 177.3 | -170.8 | -159.7 | -1.7 | 115.3 | Y14 Y36 M46 F57 H58 | Y14-R55 HydrophobicContact CD1-CB 4.1Å; Y14-R55 WeakPolarHBondContact CD1-O 3.39Å; Y14-R55 HydrophobicContact CE1-CB 4.06Å; Y14-R55 HydrophobicContact CE1-CG 4.16Å; Y14-R55 HydrophobicContact CG-CB 4.4Å; Y36-R55 HydrophobicContact CD2-CB 4.2Å; Y36-R55 HydrophobicContact CE2-CB 3.74Å; M46-R55 PolarHBondContact O-N 3.3Å; M46-R55 HydrophobicContact SD-CG 4.48Å; M46-R55 PolarHBondContact SD-NE 3.41Å; M46-R55 PolarHBondContact SD-NH1 3.12Å; M46-R55 VanDerWaalsContact SD-NH1 3.37Å; R55-F57 VanDerWaalsContact C-N 3.25Å; R55-F57 PolarHBondContact O-N 3.47Å; R55-H58 WeakPolarHBondContact O-CB 3.26Å; R55-H58 PolarHBondContact O-N 3.06Å |
| 56 | N | 88.4 | Confident | 80.3 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -72.1 | -17.5 | 177.4 | -72.4 | -18.4 | 0 | 0 | 0 | 113.2 | H54 H58 | H54-N56 PolarHBondContact CE1-ND2 3.13Å; H54-N56 PolarHBondContact ND1-N 3.08Å; H54-N56 VanDerWaalsContact ND1-N 3.19Å; H54-N56 PolarHBondContact O-N 2.86Å; N56-H58 VanDerWaalsContact C-N 3.26Å |
| 57 | F | 88.1 | Confident | 78.4 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 34% | 0.342 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -79.2 | -13.6 | 168.9 | -67.9 | -72.8 | 0 | 0 | 0 | 112.1 | M18 R19 C53 H54 R55 | M18-F57 WeakPolarHBondContact CB-O 3.43Å; M18-F57 PolarHBondContact N-O 3.26Å; R19-F57 HydrophobicContact CB-CB 4.26Å; R19-F57 HydrophobicContact CB-CD1 4.1Å; R19-F57 HydrophobicContact CB-CG 4.26Å; R19-F57 HydrophobicContact CG-CD1 4.03Å; R19-F57 HydrophobicContact CG-CE1 4.32Å; R19-F57 HydrophobicContact CG-CG 4.4Å; R19-F57 VanDerWaalsContact NH2-CE2 3.3Å; C53-F57 HydrophobicContact CB-CB 4.14Å; C53-F57 HydrophobicContact CB-CD2 4.16Å; C53-F57 HydrophobicContact CB-CG 4.44Å; H54-F57 HydrophobicContact CB-CD2 3.8Å; H54-F57 HydrophobicContact CB-CE2 4.01Å; H54-F57 WeakPolarHBondContact O-CB 3.45Å; H54-F57 WeakPolarHBondContact O-CD2 3.44Å; H54-F57 PolarHBondContact O-N 3.37Å; R55-F57 VanDerWaalsContact C-N 3.25Å; R55-F57 PolarHBondContact O-N 3.47Å |
| 58 | H | 90.5 | Very high | 76.2 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 142.7 | 174.9 | -70.6 | -121.3 | 0 | 0 | 0 | 110.1 | Y14 R15 E16 C33 Y36 C48 R55 N56 K60 | Y14-H58 HydrophobicContact CD1-CB 4.34Å; R15-H58 PolarHBondContact O-ND1 2.89Å; E16-H58 VanDerWaalsContact O-CA 3.23Å; E16-H58 WeakPolarHBondContact O-CA 3.44Å; C33-H58 PolarHBondContact SG-CE1 3.43Å; Y36-H58 AromaticContact CD2-CD2 3.95Å; Y36-H58 AromaticContact CD2-CE1 3.78Å; Y36-H58 AromaticContact CD2-CG 3.98Å; Y36-H58 AromaticContact CD2-ND1 3.92Å; Y36-H58 AromaticContact CD2-NE2 3.84Å; C48-H58 VanDerWaalsContact CB-NE2 3.34Å; C48-H58 WeakPolarHBondContact CB-NE2 3.29Å; C48-H58 VanDerWaalsContact SG-CE1 3.59Å; R55-H58 WeakPolarHBondContact O-CB 3.26Å; R55-H58 PolarHBondContact O-N 3.06Å; N56-H58 VanDerWaalsContact C-N 3.26Å; H58-K60 PolarHBondContact O-N 3.36Å; H58-K60 VanDerWaalsContact O-N 3.13Å |
| 59 | R | 88.6 | Confident | 74.2 | Confident | 110 Ų | 110 | 74.4 Ų | 74.4 | 42% | 0.415 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 119.7 | 176.5 | -173.7 | 171.6 | 65.3 | -157.4 | -2.3 | 109.4 | R15 E16 M18 | R15-R59 HydrophobicContact CB-CB 4.48Å; R15-R59 PolarHBondContact N-O 3.2Å; E16-R59 PolarHBondContact O-N 2.83Å; E16-R59 IonicContact OE1-CZ 2.64Å; E16-R59 IonicContact OE1-NE 2.79Å; E16-R59 IonicContact OE1-NH1 2.88Å; E16-R59 PolarHBondContact OE1-NH1 2.93Å; E16-R59 IonicContact OE1-NH2 2.69Å; E16-R59 PolarHBondContact OE1-NH2 3.27Å; E16-R59 IonicContact OE2-CZ 3.17Å; E16-R59 IonicContact OE2-NE 3.14Å; E16-R59 PolarHBondContact OE2-NE 3.37Å; E16-R59 IonicContact OE2-NH1 3.15Å; E16-R59 IonicContact OE2-NH2 3.87Å; E16-R59 PolarHBondContact OE2-NH2 2.95Å; M18-R59 HydrophobicContact CE-CB 4.1Å; M18-R59 HydrophobicContact CG-CB 4.41Å; M18-R59 HydrophobicContact SD-CB 3.96Å; M18-R59 HydrophobicContact SD-CG 4.38Å |
| 60 | K | 89.6 | Confident | 72.4 | Confident | 87 Ų | 87 | 78.2 Ų | 78.2 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.6 | 177.5 | -172.3 | 174.4 | -176 | 175.4 | 0 | 109.7 | E12 Y14 H58 F62 | E12-K60 WeakPolarHBondContact OE1-CE 3.32Å; E12-K60 IonicContact OE1-NZ 2.69Å; E12-K60 PolarHBondContact OE1-NZ 3.06Å; E12-K60 WeakPolarHBondContact OE2-CE 3.23Å; E12-K60 IonicContact OE2-NZ 3.58Å; E12-K60 PolarHBondContact OE2-NZ 3.16Å; Y14-K60 HydrophobicContact CD1-CB 4.43Å; Y14-K60 HydrophobicContact CE1-CB 4.35Å; Y14-K60 HydrophobicContact CE1-CD 4.36Å; Y14-K60 HydrophobicContact CE1-CG 4.24Å; H58-K60 PolarHBondContact O-N 3.36Å; H58-K60 VanDerWaalsContact O-N 3.13Å; K60-F62 HydrophobicContact CD-CE1 4.42Å; K60-F62 HydrophobicContact CD-CZ 4Å; K60-F62 VanDerWaalsContact CE-CE1 3.47Å; K60-F62 VanDerWaalsContact CE-CZ 3.48Å; K60-F62 HydrophobicContact CG-CZ 4.38Å |
| 61 | T | 84.2 | Confident | 70.3 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 25% | 0.252 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.5 | 171.9 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | V13 R15 | V13-T61 PolarHBondContact N-O 3.44Å; V13-T61 PolarHBondContact O-N 3.39Å; V13-T61 PolarHBondContact O-OG1 3Å; R15-T61 HydrophobicContact CG-CG2 3.84Å; R15-T61 WeakPolarHBondContact CG-OG1 3.32Å |
| 62 | F | 81.8 | Confident | 68.3 | Low | 103 Ų | 103 | 81.1 Ų | 81.1 | 45% | 0.452 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.6 | 171.4 | -59.8 | -81.9 | 0 | 0 | 0 | 107.1 | P10 E12 K60 D64 | P10-F62 HydrophobicContact CB-CB 4.49Å; P10-F62 HydrophobicContact CB-CD1 4.47Å; E12-F62 HydrophobicContact CG-CD1 4.08Å; E12-F62 HydrophobicContact CG-CE1 3.91Å; K60-F62 HydrophobicContact CD-CE1 4.42Å; K60-F62 HydrophobicContact CD-CZ 4Å; K60-F62 VanDerWaalsContact CE-CE1 3.47Å; K60-F62 VanDerWaalsContact CE-CZ 3.48Å; K60-F62 HydrophobicContact CG-CZ 4.38Å; F62-D64 PolarHBondContact O-N 3.07Å |
| 63 | L | 69.4 | Low | 66.2 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | trans | -71.5 | 88 | 164.9 | -68.5 | 177.2 | 0 | 0 | 0 | 106.9 | R11 V13 A65 | R11-L63 HydrophobicContact CB-CD1 4.46Å; R11-L63 PolarHBondContact O-N 3.48Å; R11-L63 VanDerWaalsContact O-N 3.09Å; V13-L63 HydrophobicContact CB-CG 4.49Å; V13-L63 HydrophobicContact CG2-CD1 3.54Å; V13-L63 HydrophobicContact CG2-CD2 4.3Å; V13-L63 HydrophobicContact CG2-CG 3.58Å; L63-A65 PolarHBondContact O-N 3.13Å | ||
| 64 | D | 50.4 | Low | 64.4 | Low | 118 Ų | 118 | 95 Ų | 95 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | trans | -65.1 | 124.8 | 156.9 | -74.8 | -39.9 | 0 | 0 | 0 | 106.5 | F62 A66 | F62-D64 PolarHBondContact O-N 3.07Å; D64-A66 PolarHBondContact O-N 3.04Å | ||
| 65 | A | 49.7 | Very low | 62.4 | Low | 115 Ų | 115 | 98.3 Ų | 98.3 | 95% | 0.95 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 28.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L63 | L63-A65 PolarHBondContact O-N 3.13Š|
| 66 | A | 41.9 | Very low | 60.2 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.2 | 20 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D64 | D64-A66 PolarHBondContact O-N 3.04Š|
| 67 | A | 44.9 | Very low | 58.2 | Low | 89 Ų | 89 | 101 Ų | 101 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -144.9 | 102.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 68 | G | 39.8 | Very low | 56.2 | Low | 57 Ų | 57 | 102.3 Ų | 102.3 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 154.5 | -19.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | H70 | G68-H70 PolarHBondContact O-N 3.33Š|
| 69 | A | 43.9 | Very low | 54 | Low | 122 Ų | 122 | 106 Ų | 106 | 100% | 1.008 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -79.1 | 34.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 70 | H | 46.3 | Very low | 52 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -138.2 | 132.2 | 167.7 | 74.2 | -79.9 | 0 | 0 | 0 | 105.4 | G68 | G68-H70 PolarHBondContact O-N 3.33Š| ||
| 71 | G | 39.9 | Very low | 50.4 | Low | 55 Ų | 55 | 107.1 Ų | 107.1 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | cis | -176.6 | 115.4 | -1.3 | 0 | 0 | 0 | 0 | 0 | 103 | M73 | G71-M73 PolarHBondContact O-N 3.32Š| ||
| 72 | A | 44.1 | Very low | 49 | Very low | 96 Ų | 96 | 111.4 Ų | 111.4 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -50.7 | 131.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||
| 73 | M | 42.6 | Very low | 47.2 | Very low | 171 Ų | 171 | 109.3 Ų | 109.3 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | 77.3 | 97.2 | 177.7 | -49.1 | -73.2 | 125.5 | 0 | 0 | 115.5 | G71 | G71-M73 PolarHBondContact O-N 3.32Š| ||
| 74 | L | 50.7 | Low | 46.5 | Very low | 167 Ų | 167 | 115.7 Ų | 115.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 121.7 | 154.1 | -68 | 173.8 | 0 | 0 | 0 | 108.8 | ||
| 75 | P | 47.3 | Very low | 46.3 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 155.7 | 155.6 | 32 | -26.7 | 0 | 0 | 0 | 111.7 | ||
| 76 | S | 42.2 | Very low | 46.5 | Very low | 119 Ų | 119 | 114 Ų | 114 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 161.1 | -168.9 | -67.2 | 0 | 0 | 0 | 0 | 119 | ||
| 77 | P | 47.3 | Very low | 46.9 | Very low | 127 Ų | 127 | 112.2 Ų | 112.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 149.5 | -162.2 | 38.1 | -31.1 | 0 | 0 | 0 | 114.4 | ||
| 78 | A | 46.2 | Very low | 47.5 | Very low | 106 Ų | 106 | 113.9 Ų | 113.9 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -155 | 124.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 79 | G | 44 | Very low | 48.1 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 106.5 | 100.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 80 | A | 45.3 | Very low | 48.3 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 79.5 | 91.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 81 | S | 56.1 | Low | 48.4 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | 54.9 | 153 | 109.9 | -73.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 82 | P | 55.1 | Low | 48.8 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | -127.6 | 174.6 | -129.6 | 42.2 | -27.4 | 0 | 0 | 0 | 116.2 | |||||
| 83 | G | 43.7 | Very low | 49 | Very low | 58 Ų | 58 | 119.9 Ų | 119.9 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | trans | -153.2 | 117.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 84 | Y | 54.8 | Low | 49.2 | Very low | 234 Ų | 234 | 118.1 Ų | 118.1 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | 8.8 | 147.8 | 150.7 | 75.6 | -81.3 | 0 | 0 | 0 | 120.1 | ||||
| 85 | G | 46.9 | Very low | 49.2 | Very low | 69 Ų | 69 | 114.3 Ų | 114.3 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | 171 | 154.3 | 6.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 86 | S | 52.8 | Low | 49.5 | Very low | 128 Ų | 128 | 113.6 Ų | 113.6 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | 26.9 | 134.3 | 144.8 | -150.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 87 | G | 52.2 | Low | 49.8 | Very low | 58 Ų | 58 | 110.8 Ų | 110.8 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | cis | 154.7 | 175 | 13.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 88 | T | 56.1 | Low | 50.3 | Low | 124 Ų | 124 | 114.5 Ų | 114.5 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 69.5 | 142.2 | 154.2 | 15.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 89 | H | 53.1 | Low | 50.3 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | cis | -177 | 159.1 | -7.3 | 42 | -135.6 | 0 | 0 | 0 | 109.2 | ||||
| 90 | H | 48.1 | Very low | 50.5 | Low | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 10.3 | 145.7 | 151.8 | 66.9 | -3.8 | 0 | 0 | 0 | 120.7 | ||||
| 91 | T | 47.2 | Very low | 50.6 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | -176.6 | 147.4 | 65.1 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 92 | A | 49 | Very low | 50.3 | Low | 91 Ų | 91 | 114.3 Ų | 114.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 60.3 | 149.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 93 | T | 47.7 | Very low | 49.7 | Very low | 113 Ų | 113 | 111.9 Ų | 111.9 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | cis | 173.3 | 159.6 | -1 | -94.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 94 | T | 47.1 | Very low | 49.6 | Very low | 134 Ų | 134 | 113.3 Ų | 113.3 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 69.5 | 146.2 | 161 | 50.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 95 | A | 51.4 | Low | 49.5 | Very low | 87 Ų | 87 | 111.4 Ų | 111.4 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | cis | -171.5 | 167.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | A | 52.8 | Low | 49.2 | Very low | 108 Ų | 108 | 111.8 Ų | 111.8 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | 69.8 | 139.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 97 | G | 49.9 | Very low | 48.9 | Very low | 60 Ų | 60 | 111.9 Ų | 111.9 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 167.4 | 178.5 | 9.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 98 | M | 57.2 | Low | 48.5 | Very low | 205 Ų | 205 | 111.8 Ų | 111.8 | 100% | 1.01 | 77% | 0.771 | S | S | * | * | trans | 81.5 | 127.5 | 174 | -48.2 | 150.1 | 155.1 | 0 | 0 | 114.8 | ||||
| 99 | G | 46.9 | Very low | 47.9 | Very low | 79 Ų | 79 | 109 Ų | 109 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | cis | 163.2 | 144.3 | 3.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 100 | G | 46.7 | Very low | 48.1 | Very low | 71 Ų | 71 | 113.9 Ų | 113.9 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | 74.9 | 151.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 101 | D | 47.6 | Very low | 48.2 | Very low | 155 Ų | 155 | 118 Ų | 118 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | cis | -174.8 | 164.8 | -24.1 | 52.7 | -84.6 | 0 | 0 | 0 | 106 | ||||
| 102 | A | 49.1 | Very low | 48.9 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 68.1 | 100.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 103 | G | 43.4 | Very low | 49.6 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 176.5 | 71 | 167 | 0 | 0 | 0 | 0 | 0 | 113 | H105 | G103-H105 PolarHBondContact O-N 3.08Š| ||
| 104 | A | 41.4 | Very low | 50.2 | Low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -55.4 | 124.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | H | 53.2 | Low | 51.2 | Low | 194 Ų | 194 | 129.9 Ų | 129.9 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -165.7 | 98.3 | 143.7 | -85.4 | -64.6 | 0 | 0 | 0 | 109.8 | G103 | G103-H105 PolarHBondContact O-N 3.08Š| ||
| 106 | G | 40.5 | Very low | 52.4 | Low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 20.4 | 98.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | G108 | G106-G108 PolarHBondContact O-N 2.92Š| ||
| 107 | S | 45.8 | Very low | 53.8 | Low | 129 Ų | 129 | 131.1 Ų | 131.1 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 66.2 | 153 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | G109 | S107-G109 PolarHBondContact O-N 2.96Š| ||
| 108 | G | 45.1 | Very low | 55.5 | Low | 56 Ų | 56 | 131.3 Ų | 131.3 | 58% | 0.577 | 76% | 0.758 | S | S | * | * | trans | -71.9 | 108.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G106 R110 | G106-G108 PolarHBondContact O-N 2.92Å; G108-R110 PolarHBondContact O-N 3.48Å | ||
| 109 | G | 43.6 | Very low | 56.6 | Low | 65 Ų | 65 | 129.3 Ų | 129.3 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | -47.8 | 102 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S107 R111 | S107-G109 PolarHBondContact O-N 2.96Å; G109-R111 VanDerWaalsContact C-N 3.26Å; G109-R111 PolarHBondContact O-N 2.87Å | ||
| 110 | R | 56.4 | Low | 58.4 | Low | 242 Ų | 242 | 132.4 Ų | 132.4 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -68.4 | 91.4 | 178 | -66.3 | -173.2 | -171 | -91 | 0.9 | 107.2 | G108 R112 | G108-R110 PolarHBondContact O-N 3.48Å; R110-R112 PolarHBondContact O-N 3.32Å | ||
| 111 | R | 51.4 | Low | 60.3 | Low | 229 Ų | 229 | 129.9 Ų | 129.9 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 128.2 | 169.1 | -59.4 | -175 | 99.9 | -124.8 | 6.5 | 106.2 | G109 T113 | G109-R111 VanDerWaalsContact C-N 3.26Å; G109-R111 PolarHBondContact O-N 2.87Å; R111-T113 PolarHBondContact O-N 2.99Å |
| 112 | R | 59.8 | Low | 62.3 | Low | 247 Ų | 247 | 127 Ų | 127 | 93% | 0.932 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 121.7 | 177.4 | -63.5 | 179 | -166.7 | 134.7 | 2.8 | 107.6 | R110 R114 | R110-R112 PolarHBondContact O-N 3.32Å; R112-R114 PolarHBondContact O-N 3.5Å; R112-R114 VanDerWaalsContact O-N 3.17Å |
| 113 | T | 64.9 | Low | 64.2 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 83% | 0.834 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 122.9 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 108.2 | R111 T115 | R111-T113 PolarHBondContact O-N 2.99Å; T113-T115 PolarHBondContact O-N 2.83Å |
| 114 | R | 59.2 | Low | 66.5 | Low | 232 Ų | 232 | 125 Ų | 125 | 88% | 0.875 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.6 | 176.6 | -178.9 | 173.5 | -177.9 | 150.8 | 0.5 | 108.5 | R112 K116 | R112-R114 PolarHBondContact O-N 3.5Å; R112-R114 VanDerWaalsContact O-N 3.17Å; R114-K116 PolarHBondContact O-N 3.35Å |
| 115 | T | 68 | Low | 69 | Low | 88 Ų | 88 | 120.8 Ų | 120.8 | 54% | 0.54 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 132.1 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | T113 | T113-T115 PolarHBondContact O-N 2.83Š|
| 116 | K | 78.2 | Confident | 70.9 | Confident | 190 Ų | 190 | 112.8 Ų | 112.8 | 83% | 0.826 | 58% | 0.578 | S | S | * | * | trans | -115.8 | 117.8 | 175 | -170.1 | 178.9 | 179.7 | -175.7 | 0 | 108.2 | R114 | R114-K116 PolarHBondContact O-N 3.35Š| ||
| 117 | F | 81.7 | Confident | 73.4 | Confident | 31 Ų | 31 | 116.4 Ų | 116.4 | 14% | 0.136 | 57% | 0.568 | C | S | . | * | trans | -90.1 | 147.3 | 175.6 | -54.1 | -71.5 | 0 | 0 | 0 | 110.1 | Q121 K122 M125 V159 V163 W167 | F117-Q121 HydrophobicContact CB-CB 4.12Å; F117-K122 HydrophobicContact CB-CG 3.85Å; F117-K122 WeakPolarHBondContact O-CE 3.36Å; F117-M125 HydrophobicContact CD1-SD 4.12Å; F117-M125 HydrophobicContact CE1-CE 4.18Å; F117-M125 HydrophobicContact CE1-SD 4.32Å; F117-M125 HydrophobicContact CE2-CE 4.5Å; F117-M125 HydrophobicContact CG-SD 4.35Å; F117-M125 HydrophobicContact CZ-CE 4.17Å; F117-V159 HydrophobicContact CD1-CG2 4.09Å; F117-V159 HydrophobicContact CE1-CG1 4.31Å; F117-V159 HydrophobicContact CE1-CG2 3.89Å; F117-V163 HydrophobicContact CE1-CG1 3.69Å; F117-V163 HydrophobicContact CZ-CG1 3.42Å; F117-V163 VanDerWaalsContact CZ-CG1 3.42Å; F117-W167 AromaticContact CE2-CD1 3.65Å; F117-W167 HydrophobicContact CE2-CG 4.4Å | ||
| 118 | T | 86.1 | Confident | 75.7 | Confident | 64 Ų | 64 | 110.8 Ų | 110.8 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | trans | -63.8 | 163.2 | 166.7 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | Q121 K122 | T118-Q121 PolarHBondContact O-N 3.26Å; T118-Q121 VanDerWaalsContact OG1-CB 3.32Å; T118-Q121 WeakPolarHBondContact OG1-CB 3.45Å; T118-Q121 VanDerWaalsContact OG1-CG 3.23Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.36Å; T118-Q121 PolarHBondContact OG1-N 2.84Å; T118-K122 WeakPolarHBondContact O-CG 3.19Å; T118-K122 PolarHBondContact O-N 3.3Å; T118-K122 VanDerWaalsContact O-N 3.16Å | ||
| 119 | E | 79.8 | Confident | 78 | Confident | 164 Ų | 164 | 108.1 Ų | 108.1 | 77% | 0.766 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 175.8 | -171.5 | 163.4 | -172.7 | 0 | 0 | 111.2 | Q121 K122 E123 | E119-Q121 PolarHBondContact O-N 2.92Å; E119-K122 WeakPolarHBondContact O-CB 3.42Å; E119-K122 PolarHBondContact O-N 2.93Å; E119-E123 PolarHBondContact O-N 3.36Å |
| 120 | E | 85 | Confident | 80.4 | Confident | 143 Ų | 143 | 111 Ų | 111 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55 | -45.9 | 172.6 | -176.1 | -176.7 | -170.5 | 0 | 0 | 112.5 | K122 E123 C124 | E120-K122 VanDerWaalsContact C-N 3.3Å; E120-K122 PolarHBondContact O-N 3.15Å; E120-E123 PolarHBondContact O-N 3.41Å; E120-C124 WeakPolarHBondContact O-CB 3.17Å; E120-C124 PolarHBondContact O-N 2.92Å; E120-C124 PolarHBondContact O-SG 3.1Å; E120-C124 VanDerWaalsContact O-SG 3.37Å |
| 121 | Q | 87.2 | Confident | 82.1 | Confident | 19 Ų | 19 | 106.5 Ų | 106.5 | 9% | 0.089 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.9 | -81.9 | 174.6 | -31.1 | 0 | 0 | 111.5 | G26 F117 T118 E119 M125 I157 | G26-Q121 PolarHBondContact O-NE2 3.39Å; F117-Q121 HydrophobicContact CB-CB 4.12Å; T118-Q121 PolarHBondContact O-N 3.26Å; T118-Q121 VanDerWaalsContact OG1-CB 3.32Å; T118-Q121 WeakPolarHBondContact OG1-CB 3.45Å; T118-Q121 VanDerWaalsContact OG1-CG 3.23Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.36Å; T118-Q121 PolarHBondContact OG1-N 2.84Å; E119-Q121 PolarHBondContact O-N 2.92Å; Q121-M125 VanDerWaalsContact O-CB 3.26Å; Q121-M125 WeakPolarHBondContact O-CB 3.37Å; Q121-M125 WeakPolarHBondContact O-CG 3.19Å; Q121-M125 PolarHBondContact O-N 2.9Å; Q121-I157 PolarHBondContact NE2-O 3.37Å |
| 122 | K | 89.1 | Confident | 84 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 179.2 | -66.8 | 169.7 | -168.6 | 170.5 | 0 | 111.8 | F117 T118 E119 E120 M125 A126 | F117-K122 HydrophobicContact CB-CG 3.85Å; F117-K122 WeakPolarHBondContact O-CE 3.36Å; T118-K122 WeakPolarHBondContact O-CG 3.19Å; T118-K122 PolarHBondContact O-N 3.3Å; T118-K122 VanDerWaalsContact O-N 3.16Å; E119-K122 WeakPolarHBondContact O-CB 3.42Å; E119-K122 PolarHBondContact O-N 2.93Å; E120-K122 VanDerWaalsContact C-N 3.3Å; E120-K122 PolarHBondContact O-N 3.15Å; K122-M125 PolarHBondContact O-N 3.05Å; K122-A126 VanDerWaalsContact O-CB 3.32Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 3.33Å |
| 123 | E | 89.2 | Confident | 85.5 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 177.3 | -172.2 | -178 | 171.2 | 0 | 0 | 110.9 | E119 E120 M125 A126 R127 | E119-E123 PolarHBondContact O-N 3.36Å; E120-E123 PolarHBondContact O-N 3.41Å; E123-M125 VanDerWaalsContact C-N 3.34Å; E123-M125 PolarHBondContact O-N 3.26Å; E123-A126 PolarHBondContact O-N 3.45Å; E123-R127 PolarHBondContact O-N 3.2Å; E123-R127 IonicContact OE1-CZ 3.5Å; E123-R127 IonicContact OE1-NE 3.14Å; E123-R127 IonicContact OE1-NH1 2.74Å; E123-R127 PolarHBondContact OE1-NH1 2.69Å; E123-R127 IonicContact OE1-NH2 2.64Å; E123-R127 PolarHBondContact OE1-NH2 3.44Å |
| 124 | C | 91.4 | Very high | 86.8 | Confident | 45 Ų | 45 | 84 Ų | 84 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 173.6 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | E120 A126 F128 F153 I157 | E120-C124 WeakPolarHBondContact O-CB 3.17Å; E120-C124 PolarHBondContact O-N 2.92Å; E120-C124 PolarHBondContact O-SG 3.1Å; E120-C124 VanDerWaalsContact O-SG 3.37Å; C124-A126 VanDerWaalsContact C-N 3.35Å; C124-A126 PolarHBondContact O-N 2.97Å; C124-F128 VanDerWaalsContact O-CB 3.31Å; C124-F128 WeakPolarHBondContact O-CB 3.32Å; C124-F128 PolarHBondContact O-N 3.32Å; C124-F153 HydrophobicContact CB-CE2 4.38Å; C124-F153 HydrophobicContact CB-CZ 4.47Å; C124-F153 WeakPolarHBondContact O-CZ 3.46Å; C124-I157 HydrophobicContact CB-CG2 4.05Å |
| 125 | M | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 176.6 | -72.2 | 167.2 | 82.4 | 0 | 0 | 112.3 | F117 Q121 K122 E123 A129 F153 I157 V159 F164 W167 | F117-M125 HydrophobicContact CD1-SD 4.12Å; F117-M125 HydrophobicContact CE1-CE 4.18Å; F117-M125 HydrophobicContact CE1-SD 4.32Å; F117-M125 HydrophobicContact CE2-CE 4.5Å; F117-M125 HydrophobicContact CG-SD 4.35Å; F117-M125 HydrophobicContact CZ-CE 4.17Å; Q121-M125 VanDerWaalsContact O-CB 3.26Å; Q121-M125 WeakPolarHBondContact O-CB 3.37Å; Q121-M125 WeakPolarHBondContact O-CG 3.19Å; Q121-M125 PolarHBondContact O-N 2.9Å; K122-M125 PolarHBondContact O-N 3.05Å; E123-M125 VanDerWaalsContact C-N 3.34Å; E123-M125 PolarHBondContact O-N 3.26Å; M125-A129 WeakPolarHBondContact O-CB 3.46Å; M125-A129 PolarHBondContact O-N 3.17Å; M125-F153 HydrophobicContact CG-CE1 4.44Å; M125-F153 HydrophobicContact CG-CZ 4.31Å; M125-I157 HydrophobicContact CG-CD1 3.44Å; M125-I157 VanDerWaalsContact CG-CD1 3.44Å; M125-I157 HydrophobicContact SD-CD1 4.08Å; M125-V159 HydrophobicContact CE-CG1 4.31Å; M125-V159 HydrophobicContact SD-CG2 4.32Å; M125-F164 HydrophobicContact CB-CD2 4.23Å; M125-F164 HydrophobicContact CB-CE2 3.88Å; M125-F164 HydrophobicContact CE-CD2 3.65Å; M125-F164 HydrophobicContact CE-CE2 4.41Å; M125-F164 HydrophobicContact CG-CD2 3.92Å; M125-F164 HydrophobicContact CG-CE2 4.03Å; M125-W167 VanDerWaalsContact C-CH2 3.49Å; M125-W167 HydrophobicContact CB-CD2 4.21Å; M125-W167 HydrophobicContact CB-CE3 3.91Å; M125-W167 HydrophobicContact CB-CH2 3.63Å; M125-W167 HydrophobicContact CB-CZ2 3.9Å; M125-W167 HydrophobicContact CB-CZ3 3.63Å; M125-W167 HydrophobicContact CE-CB 3.52Å; M125-W167 HydrophobicContact CE-CD2 3.4Å; M125-W167 VanDerWaalsContact CE-CD2 3.4Å; M125-W167 HydrophobicContact CE-CE3 3.81Å; M125-W167 HydrophobicContact CE-CG 3.25Å; M125-W167 WeakPolarHBondContact O-CZ3 3.32Å; M125-W167 HydrophobicContact SD-CD2 4.39Å |
| 126 | A | 92.7 | Very high | 89.3 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 22% | 0.223 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.4 | -51.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K122 E123 C124 F128 A129 E130 W167 | K122-A126 VanDerWaalsContact O-CB 3.32Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 3.33Å; E123-A126 PolarHBondContact O-N 3.45Å; C124-A126 VanDerWaalsContact C-N 3.35Å; C124-A126 PolarHBondContact O-N 2.97Å; A126-F128 VanDerWaalsContact C-N 3.29Å; A126-F128 PolarHBondContact O-N 3.45Å; A126-A129 PolarHBondContact O-N 2.99Å; A126-A129 VanDerWaalsContact O-N 3.09Å; A126-E130 WeakPolarHBondContact O-CG 3.41Å; A126-E130 PolarHBondContact O-N 2.69Å; A126-W167 HydrophobicContact CB-CH2 4.09Å |
| 127 | R | 92.8 | Very high | 89.7 | Confident | 154 Ų | 154 | 72.6 Ų | 72.6 | 58% | 0.581 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.7 | -42.7 | 176.4 | -73.4 | -176.8 | 173.7 | 147.4 | 7.3 | 112.1 | E123 E130 R131 | E123-R127 PolarHBondContact O-N 3.2Å; E123-R127 IonicContact OE1-CZ 3.5Å; E123-R127 IonicContact OE1-NE 3.14Å; E123-R127 IonicContact OE1-NH1 2.74Å; E123-R127 PolarHBondContact OE1-NH1 2.69Å; E123-R127 IonicContact OE1-NH2 2.64Å; E123-R127 PolarHBondContact OE1-NH2 3.44Å; R127-E130 PolarHBondContact O-N 2.81Å; R127-R131 PolarHBondContact O-N 3.45Å; R127-R131 VanDerWaalsContact O-N 3.11Å |
| 128 | F | 94.2 | Very high | 89.8 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 5% | 0.048 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 177.4 | -170 | -100.6 | 0 | 0 | 0 | 112.1 | C124 A126 R131 L132 E149 V150 F153 F164 | C124-F128 VanDerWaalsContact O-CB 3.31Å; C124-F128 WeakPolarHBondContact O-CB 3.32Å; C124-F128 PolarHBondContact O-N 3.32Å; A126-F128 VanDerWaalsContact C-N 3.29Å; A126-F128 PolarHBondContact O-N 3.45Å; F128-R131 PolarHBondContact O-N 2.77Å; F128-L132 HydrophobicContact CD1-CD1 3.71Å; F128-L132 HydrophobicContact CD1-CG 4.23Å; F128-L132 HydrophobicContact CE1-CD1 3.35Å; F128-L132 HydrophobicContact CE1-CG 4Å; F128-L132 HydrophobicContact CZ-CD1 4.11Å; F128-L132 HydrophobicContact CZ-CG 4.41Å; F128-L132 WeakPolarHBondContact O-CG 3.38Å; F128-L132 PolarHBondContact O-N 3.47Å; F128-E149 HydrophobicContact CE2-CG 4.17Å; F128-E149 HydrophobicContact CZ-CG 4.13Å; F128-V150 HydrophobicContact CE1-CB 4.34Å; F128-V150 HydrophobicContact CE1-CG1 4.26Å; F128-V150 HydrophobicContact CE1-CG2 4.14Å; F128-V150 HydrophobicContact CZ-CB 4.47Å; F128-V150 HydrophobicContact CZ-CG2 4.25Å; F128-F153 HydrophobicContact CB-CD1 4.28Å; F128-F153 HydrophobicContact CB-CD2 4.09Å; F128-F153 HydrophobicContact CB-CE1 3.83Å; F128-F153 HydrophobicContact CB-CE2 3.62Å; F128-F153 HydrophobicContact CB-CG 4.39Å; F128-F153 HydrophobicContact CB-CZ 3.48Å; F128-F153 VanDerWaalsContact CB-CZ 3.48Å; F128-F153 HydrophobicContact CD1-CB 4.4Å; F128-F153 AromaticContact CD1-CD1 3.29Å; F128-F153 HydrophobicContact CD1-CD1 3.29Å; F128-F153 HydrophobicContact CD1-CD2 4.25Å; F128-F153 AromaticContact CD1-CE1 3.49Å; F128-F153 HydrophobicContact CD1-CE1 3.49Å; F128-F153 VanDerWaalsContact CD1-CE1 3.49Å; F128-F153 HydrophobicContact CD1-CE2 4.4Å; F128-F153 AromaticContact CD1-CG 3.71Å; F128-F153 HydrophobicContact CD1-CG 3.71Å; F128-F153 HydrophobicContact CD1-CZ 4.06Å; F128-F153 HydrophobicContact CD2-CB 4.09Å; F128-F153 HydrophobicContact CD2-CD1 4.13Å; F128-F153 AromaticContact CD2-CD2 3.62Å; F128-F153 HydrophobicContact CD2-CD2 3.62Å; F128-F153 HydrophobicContact CD2-CE2 4.05Å; F128-F153 AromaticContact CD2-CG 3.65Å; F128-F153 HydrophobicContact CD2-CG 3.65Å; F128-F153 HydrophobicContact CD2-CZ 4.48Å; F128-F153 HydrophobicContact CE1-CB 3.95Å; F128-F153 AromaticContact CE1-CD1 3.47Å; F128-F153 HydrophobicContact CE1-CD1 3.47Å; F128-F153 VanDerWaalsContact CE1-CD1 3.47Å; F128-F153 HydrophobicContact CE1-CE1 4.14Å; F128-F153 AromaticContact CE1-CG 3.75Å; F128-F153 HydrophobicContact CE1-CG 3.75Å; F128-F153 HydrophobicContact CE2-CB 3.59Å; F128-F153 HydrophobicContact CE2-CD1 4.26Å; F128-F153 HydrophobicContact CE2-CD2 4.03Å; F128-F153 AromaticContact CE2-CG 3.69Å; F128-F153 HydrophobicContact CE2-CG 3.69Å; F128-F153 HydrophobicContact CG-CB 4.47Å; F128-F153 AromaticContact CG-CD1 3.66Å; F128-F153 HydrophobicContact CG-CD1 3.66Å; F128-F153 AromaticContact CG-CD2 3.74Å; F128-F153 HydrophobicContact CG-CD2 3.74Å; F128-F153 AromaticContact CG-CE1 3.72Å; F128-F153 HydrophobicContact CG-CE1 3.72Å; F128-F153 AromaticContact CG-CE2 3.8Å; F128-F153 HydrophobicContact CG-CE2 3.8Å; F128-F153 AromaticContact CG-CG 3.67Å; F128-F153 HydrophobicContact CG-CG 3.67Å; F128-F153 AromaticContact CG-CZ 3.79Å; F128-F153 HydrophobicContact CG-CZ 3.79Å; F128-F153 HydrophobicContact CZ-CB 3.55Å; F128-F153 AromaticContact CZ-CD1 3.99Å; F128-F153 HydrophobicContact CZ-CD1 3.99Å; F128-F153 AromaticContact CZ-CG 3.77Å; F128-F153 HydrophobicContact CZ-CG 3.77Å; F128-F164 AromaticContact CD1-CE1 3.64Å; F128-F164 HydrophobicContact CD1-CE1 3.64Å; F128-F164 AromaticContact CD1-CZ 3.56Å; F128-F164 HydrophobicContact CD1-CZ 3.56Å; F128-F164 AromaticContact CE1-CE1 3.83Å; F128-F164 HydrophobicContact CE1-CE1 3.83Å; F128-F164 HydrophobicContact CE1-CZ 4.24Å |
| 129 | A | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M125 A126 L132 G133 W134 F164 W167 M168 | M125-A129 WeakPolarHBondContact O-CB 3.46Å; M125-A129 PolarHBondContact O-N 3.17Å; A126-A129 PolarHBondContact O-N 2.99Å; A126-A129 VanDerWaalsContact O-N 3.09Å; A129-L132 CarbonylContact O-C 3.56Å; A129-L132 PolarHBondContact O-N 3.26Å; A129-G133 PolarHBondContact O-N 2.9Å; A129-G133 VanDerWaalsContact O-N 3.15Å; A129-W134 HydrophobicContact CB-CD2 3.93Å; A129-W134 HydrophobicContact CB-CE3 4Å; A129-W134 HydrophobicContact CB-CH2 4.11Å; A129-W134 HydrophobicContact CB-CZ2 4.03Å; A129-W134 HydrophobicContact CB-CZ3 4.08Å; A129-W134 PolarHBondContact O-N 3.43Å; A129-F164 HydrophobicContact CB-CZ 4.38Å; A129-W167 HydrophobicContact CB-CZ3 4.05Å; A129-M168 HydrophobicContact CB-CE 3.98Å; A129-M168 HydrophobicContact CB-CG 4.15Å; A129-M168 HydrophobicContact CB-SD 4.5Å |
| 130 | E | 92.8 | Very high | 89.1 | Confident | 125 Ų | 125 | 78.6 Ų | 78.6 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.3 | -46.9 | 171.9 | -73.1 | 169 | -177.6 | 0 | 0 | 111.1 | A126 R127 L132 G133 | A126-E130 WeakPolarHBondContact O-CG 3.41Å; A126-E130 PolarHBondContact O-N 2.69Å; R127-E130 PolarHBondContact O-N 2.81Å; E130-L132 VanDerWaalsContact C-N 3.25Å; E130-L132 PolarHBondContact O-N 3.21Å; E130-G133 PolarHBondContact O-N 3.47Å |
| 131 | R | 92.2 | Very high | 88.5 | Confident | 148 Ų | 148 | 77.3 Ų | 77.3 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.8 | -31.7 | 176.8 | -168.2 | 165.3 | 67.5 | 83.5 | -17.8 | 113.5 | R127 F128 G133 E149 | R127-R131 PolarHBondContact O-N 3.45Å; R127-R131 VanDerWaalsContact O-N 3.11Å; F128-R131 PolarHBondContact O-N 2.77Å; R131-G133 VanDerWaalsContact C-N 3.3Å; R131-E149 IonicContact CZ-OE1 2.84Å; R131-E149 VanDerWaalsContact NH1-CD 3.33Å; R131-E149 IonicContact NH1-OE1 2.84Å; R131-E149 PolarHBondContact NH1-OE1 2.99Å; R131-E149 IonicContact NH1-OE2 3.96Å; R131-E149 IonicContact NH2-OE1 2.82Å; R131-E149 PolarHBondContact NH2-OE1 3.06Å |
| 132 | L | 91.8 | Very high | 87.7 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 14% | 0.141 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.4 | 173.4 | -67.8 | -179.3 | 0 | 0 | 0 | 113.8 | F128 A129 E130 W134 R135 P137 V150 F164 M168 | F128-L132 HydrophobicContact CD1-CD1 3.71Å; F128-L132 HydrophobicContact CD1-CG 4.23Å; F128-L132 HydrophobicContact CE1-CD1 3.35Å; F128-L132 HydrophobicContact CE1-CG 4Å; F128-L132 HydrophobicContact CZ-CD1 4.11Å; F128-L132 HydrophobicContact CZ-CG 4.41Å; F128-L132 WeakPolarHBondContact O-CG 3.38Å; F128-L132 PolarHBondContact O-N 3.47Å; A129-L132 CarbonylContact O-C 3.56Å; A129-L132 PolarHBondContact O-N 3.26Å; E130-L132 VanDerWaalsContact C-N 3.25Å; E130-L132 PolarHBondContact O-N 3.21Å; L132-W134 PolarHBondContact O-N 3.42Å; L132-R135 PolarHBondContact O-N 2.9Å; L132-P137 HydrophobicContact CD1-CG 4.37Å; L132-P137 HydrophobicContact CD2-CG 3.64Å; L132-V150 HydrophobicContact CD1-CG2 4.09Å; L132-F164 HydrophobicContact CD1-CE1 4.12Å; L132-M168 HydrophobicContact CB-CE 4.4Å; L132-M168 HydrophobicContact CD1-CE 4.48Å; L132-M168 HydrophobicContact CD1-SD 4.46Å |
| 133 | G | 92.2 | Very high | 86.6 | Confident | 48 Ų | 48 | 82.2 Ų | 82.2 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 30.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A129 E130 R131 R135 | A129-G133 PolarHBondContact O-N 2.9Å; A129-G133 VanDerWaalsContact O-N 3.15Å; E130-G133 PolarHBondContact O-N 3.47Å; R131-G133 VanDerWaalsContact C-N 3.3Å; G133-R135 PolarHBondContact O-N 3.21Å; G133-R135 VanDerWaalsContact O-N 3.11Å |
| 134 | W | 92.2 | Very high | 85.4 | Confident | 63 Ų | 63 | 80.6 Ų | 80.6 | 24% | 0.239 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28 | -176.6 | -65.7 | 82.5 | 0 | 0 | 0 | 114.2 | A129 L132 W167 M168 H171 K172 | A129-W134 HydrophobicContact CB-CD2 3.93Å; A129-W134 HydrophobicContact CB-CE3 4Å; A129-W134 HydrophobicContact CB-CH2 4.11Å; A129-W134 HydrophobicContact CB-CZ2 4.03Å; A129-W134 HydrophobicContact CB-CZ3 4.08Å; A129-W134 PolarHBondContact O-N 3.43Å; L132-W134 PolarHBondContact O-N 3.42Å; W134-W167 HydrophobicContact CH2-CH2 4.13Å; W134-W167 HydrophobicContact CH2-CZ3 4.29Å; W134-W167 HydrophobicContact CZ3-CH2 4.48Å; W134-W167 HydrophobicContact CZ3-CZ3 4.23Å; W134-M168 VanDerWaalsContact C-CE 3.45Å; W134-M168 VanDerWaalsContact CA-CE 3.46Å; W134-H171 HydrophobicContact CH2-CB 4.2Å; W134-H171 HydrophobicContact CZ3-CB 3.94Å; W134-H171 WeakPolarHBondContact CZ3-O 3.18Å; W134-K172 HydrophobicContact CB-CD 4.35Å; W134-K172 HydrophobicContact CB-CG 4.22Å; W134-K172 HydrophobicContact CE3-CB 4.05Å; W134-K172 HydrophobicContact CE3-CG 4.39Å |
| 135 | R | 91.3 | Very high | 83.9 | Confident | 166 Ų | 166 | 84.1 Ų | 84.1 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | trans | -123.6 | 121.8 | 177.2 | -71.5 | 178.4 | 175.7 | -108.1 | -2 | 109.7 | L132 G133 P137 | L132-R135 PolarHBondContact O-N 2.9Å; G133-R135 PolarHBondContact O-N 3.21Å; G133-R135 VanDerWaalsContact O-N 3.11Å; R135-P137 WeakPolarHBondContact O-CD 3.34Å | ||
| 136 | M | 87 | Confident | 82.4 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 116.7 | -179.5 | -176.3 | 56.4 | 67.9 | 0 | 0 | 110.8 | K138 V150 R161 F164 K165 M168 | M136-K138 PolarHBondContact O-N 3.48Å; M136-V150 HydrophobicContact CE-CG1 4.39Å; M136-V150 HydrophobicContact SD-CG1 3.89Å; M136-V150 HydrophobicContact SD-CG2 4.34Å; M136-R161 PolarHBondContact SD-NH1 2.82Å; M136-F164 HydrophobicContact CE-CD1 3.51Å; M136-F164 HydrophobicContact CE-CE1 3.82Å; M136-F164 HydrophobicContact CE-CG 4.41Å; M136-K165 HydrophobicContact CE-CB 3.75Å; M136-K165 HydrophobicContact CE-CG 4.39Å; M136-K165 HydrophobicContact CG-CG 4.39Å; M136-M168 HydrophobicContact CE-SD 3.45Å; M136-M168 WeakPolarHBondContact CE-SD 3.4Å |
| 137 | P | 87.1 | Confident | 81.3 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 136.2 | 176.1 | -23.8 | 34 | 0 | 0 | 0 | 111.5 | L132 R135 V150 R161 | L132-P137 HydrophobicContact CD1-CG 4.37Å; L132-P137 HydrophobicContact CD2-CG 3.64Å; R135-P137 WeakPolarHBondContact O-CD 3.34Å; P137-V150 HydrophobicContact CB-CG2 4.47Å; P137-V150 HydrophobicContact CG-CG2 3.93Å; P137-R161 PolarHBondContact O-NH1 3.37Å; P137-R161 PolarHBondContact O-NH2 2.84Å |
| 138 | K | 84.2 | Confident | 80.9 | Confident | 178 Ų | 178 | 80.4 Ų | 80.4 | 77% | 0.774 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 144.3 | 170.7 | -167.7 | 174.3 | -179.5 | -178.3 | 0 | 108.5 | M136 E140 | M136-K138 PolarHBondContact O-N 3.48Å; K138-E140 PolarHBondContact O-N 3.34Å |
| 139 | R | 80.1 | Confident | 80.7 | Confident | 77 Ų | 77 | 84.5 Ų | 84.5 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 122.1 | 176.5 | -151.7 | 173 | -173.7 | -67.5 | -42.6 | 108.4 | P141 R143 A144 D148 | R139-P141 WeakPolarHBondContact O-CD 3.23Å; R139-R143 PolarHBondContact NH1-O 3.4Å; R139-A144 VanDerWaalsContact NH2-C 3.33Å; R139-A144 PolarHBondContact NH2-O 3.08Å; R139-D148 IonicContact CZ-OD1 3.02Å; R139-D148 IonicContact NE-OD1 3.86Å; R139-D148 PolarHBondContact NE-OD1 3.2Å; R139-D148 VanDerWaalsContact NE-OD1 3.17Å; R139-D148 IonicContact NH2-OD1 2.65Å; R139-D148 PolarHBondContact NH2-OD1 3.07Å |
| 140 | E | 70.8 | Confident | 80.6 | Confident | 131 Ų | 131 | 84.7 Ų | 84.7 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 124.3 | 177.8 | -72.7 | -60 | 105.4 | 0 | 0 | 110 | K138 G142 R143 | K138-E140 PolarHBondContact O-N 3.34Å; E140-G142 PolarHBondContact O-N 2.72Å; E140-R143 PolarHBondContact O-N 2.82Å |
| 141 | P | 72.3 | Confident | 80.4 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 75% | 0.747 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 133.9 | 174 | -19.1 | 30.7 | 0 | 0 | 0 | 110 | R139 | R139-P141 WeakPolarHBondContact O-CD 3.23Š|
| 142 | G | 69.5 | Low | 80.2 | Confident | 90 Ų | 90 | 79 Ų | 79 | 93% | 0.928 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | E140 | E140-G142 PolarHBondContact O-N 2.72Š|
| 143 | R | 66 | Low | 80.2 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 48% | 0.483 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -90.9 | 136.2 | 172.5 | -176.1 | 177.8 | -78.6 | -110.1 | -3.5 | 111.4 | R139 E140 D147 | R139-R143 PolarHBondContact NH1-O 3.4Å; E140-R143 PolarHBondContact O-N 2.82Å; R143-D147 HydrophobicContact CG-CB 3.69Å; R143-D147 PolarHBondContact NH1-O 2.97Å |
| 144 | A | 64.7 | Low | 80.2 | Confident | 54 Ų | 54 | 76.7 Ų | 76.7 | 45% | 0.446 | 40% | 0.399 | S | S | . | . | trans | -54.4 | 138.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R139 G146 D147 | R139-A144 VanDerWaalsContact NH2-C 3.33Å; R139-A144 PolarHBondContact NH2-O 3.08Å; A144-G146 PolarHBondContact O-N 2.92Å; A144-G146 VanDerWaalsContact O-N 3.13Å; A144-D147 PolarHBondContact O-N 3.09Å | ||
| 145 | P | 60.3 | Low | 80 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | 112.1 | 175.6 | -30.6 | 37.1 | 0 | 0 | 0 | 114.1 | ||
| 146 | G | 62.1 | Low | 79.9 | Confident | 16 Ų | 16 | 81.8 Ų | 81.8 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | -2.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117 | A144 G151 R155 | A144-G146 PolarHBondContact O-N 2.92Å; A144-G146 VanDerWaalsContact O-N 3.13Å; G146-G151 CarbonylContact O-C 3.52Å; G146-R155 PolarHBondContact O-NH2 3.23Å |
| 147 | D | 68.9 | Low | 80 | Confident | 66 Ų | 66 | 80.4 Ų | 80.4 | 35% | 0.353 | 42% | 0.419 | S | S | . | . | trans | -89.1 | 2.4 | 179.8 | -81.9 | -25.7 | 0 | 0 | 0 | 115.3 | R143 A144 | R143-D147 HydrophobicContact CG-CB 3.69Å; R143-D147 PolarHBondContact NH1-O 2.97Å; A144-D147 PolarHBondContact O-N 3.09Å | ||
| 148 | D | 84.9 | Confident | 80.1 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 11% | 0.112 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -81 | 155.4 | 169.2 | 53.8 | -83.4 | 0 | 0 | 0 | 110.7 | R139 V150 G151 R152 R161 | R139-D148 IonicContact CZ-OD1 3.02Å; R139-D148 IonicContact NE-OD1 3.86Å; R139-D148 PolarHBondContact NE-OD1 3.2Å; R139-D148 VanDerWaalsContact NE-OD1 3.17Å; R139-D148 IonicContact NH2-OD1 2.65Å; R139-D148 PolarHBondContact NH2-OD1 3.07Å; D148-V150 VanDerWaalsContact C-N 3.26Å; D148-V150 PolarHBondContact O-N 3.08Å; D148-G151 WeakPolarHBondContact O-CA 3.38Å; D148-G151 PolarHBondContact O-N 2.83Å; D148-G151 PolarHBondContact OD2-N 2.76Å; D148-R152 PolarHBondContact O-N 2.8Å; D148-R161 IonicContact OD2-CZ 3.48Å; D148-R161 IonicContact OD2-NE 2.86Å; D148-R161 PolarHBondContact OD2-NE 2.79Å; D148-R161 IonicContact OD2-NH2 3.18Å; D148-R161 PolarHBondContact OD2-NH2 3.06Å |
| 149 | E | 89.6 | Confident | 80.2 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 46% | 0.458 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.9 | -43.2 | -176.1 | -178.5 | 176.8 | -147.9 | 0 | 0 | 112.9 | F128 R131 G151 R152 F153 | F128-E149 HydrophobicContact CE2-CG 4.17Å; F128-E149 HydrophobicContact CZ-CG 4.13Å; R131-E149 IonicContact CZ-OE1 2.84Å; R131-E149 VanDerWaalsContact NH1-CD 3.33Å; R131-E149 IonicContact NH1-OE1 2.84Å; R131-E149 PolarHBondContact NH1-OE1 2.99Å; R131-E149 IonicContact NH1-OE2 3.96Å; R131-E149 IonicContact NH2-OE1 2.82Å; R131-E149 PolarHBondContact NH2-OE1 3.06Å; E149-G151 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 3.4Å; E149-R152 PolarHBondContact O-N 2.83Å; E149-F153 PolarHBondContact O-N 3.13Å |
| 150 | V | 92.1 | Very high | 80.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | F128 L132 M136 P137 D148 R152 F153 C154 R161 F164 | F128-V150 HydrophobicContact CE1-CB 4.34Å; F128-V150 HydrophobicContact CE1-CG1 4.26Å; F128-V150 HydrophobicContact CE1-CG2 4.14Å; F128-V150 HydrophobicContact CZ-CB 4.47Å; F128-V150 HydrophobicContact CZ-CG2 4.25Å; L132-V150 HydrophobicContact CD1-CG2 4.09Å; M136-V150 HydrophobicContact CE-CG1 4.39Å; M136-V150 HydrophobicContact SD-CG1 3.89Å; M136-V150 HydrophobicContact SD-CG2 4.34Å; P137-V150 HydrophobicContact CB-CG2 4.47Å; P137-V150 HydrophobicContact CG-CG2 3.93Å; D148-V150 VanDerWaalsContact C-N 3.26Å; D148-V150 PolarHBondContact O-N 3.08Å; V150-R152 VanDerWaalsContact C-N 3.35Å; V150-F153 PolarHBondContact O-N 3.13Å; V150-C154 WeakPolarHBondContact O-CB 3.12Å; V150-C154 PolarHBondContact O-N 3.49Å; V150-C154 PolarHBondContact O-SG 3.37Å; V150-R161 VanDerWaalsContact CB-NH2 3.35Å; V150-R161 HydrophobicContact CG1-CG 4.01Å; V150-F164 HydrophobicContact CG1-CD1 3.86Å; V150-F164 HydrophobicContact CG1-CE1 4.17Å |
| 151 | G | 89.8 | Confident | 81.5 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G146 D148 E149 R155 | G146-G151 CarbonylContact O-C 3.52Å; D148-G151 WeakPolarHBondContact O-CA 3.38Å; D148-G151 PolarHBondContact O-N 2.83Å; D148-G151 PolarHBondContact OD2-N 2.76Å; E149-G151 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 3.4Å; G151-R155 WeakPolarHBondContact O-CB 3.18Å; G151-R155 PolarHBondContact O-N 3.33Å; G151-R155 VanDerWaalsContact O-N 3.15Å |
| 152 | R | 88 | Confident | 82.2 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -50.3 | 174.7 | -65.4 | -179.1 | -172.6 | 160.4 | -1.6 | 111.5 | D148 E149 V150 C154 R155 E156 | D148-R152 PolarHBondContact O-N 2.8Å; E149-R152 PolarHBondContact O-N 2.83Å; V150-R152 VanDerWaalsContact C-N 3.35Å; R152-C154 PolarHBondContact O-N 3.19Å; R152-R155 WeakPolarHBondContact O-CB 3.38Å; R152-R155 PolarHBondContact O-N 3.12Å; R152-R155 VanDerWaalsContact O-N 3.14Å; R152-E156 PolarHBondContact O-N 3.16Å |
| 153 | F | 92.1 | Very high | 83.2 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.6 | -49.4 | 176.5 | 169 | -104.1 | 0 | 0 | 0 | 112.3 | C124 M125 F128 E149 V150 R155 E156 I157 F164 | C124-F153 HydrophobicContact CB-CE2 4.38Å; C124-F153 HydrophobicContact CB-CZ 4.47Å; C124-F153 WeakPolarHBondContact O-CZ 3.46Å; M125-F153 HydrophobicContact CG-CE1 4.44Å; M125-F153 HydrophobicContact CG-CZ 4.31Å; F128-F153 HydrophobicContact CB-CD1 4.28Å; F128-F153 HydrophobicContact CB-CD2 4.09Å; F128-F153 HydrophobicContact CB-CE1 3.83Å; F128-F153 HydrophobicContact CB-CE2 3.62Å; F128-F153 HydrophobicContact CB-CG 4.39Å; F128-F153 HydrophobicContact CB-CZ 3.48Å; F128-F153 VanDerWaalsContact CB-CZ 3.48Å; F128-F153 HydrophobicContact CD1-CB 4.4Å; F128-F153 AromaticContact CD1-CD1 3.29Å; F128-F153 HydrophobicContact CD1-CD1 3.29Å; F128-F153 HydrophobicContact CD1-CD2 4.25Å; F128-F153 AromaticContact CD1-CE1 3.49Å; F128-F153 HydrophobicContact CD1-CE1 3.49Å; F128-F153 VanDerWaalsContact CD1-CE1 3.49Å; F128-F153 HydrophobicContact CD1-CE2 4.4Å; F128-F153 AromaticContact CD1-CG 3.71Å; F128-F153 HydrophobicContact CD1-CG 3.71Å; F128-F153 HydrophobicContact CD1-CZ 4.06Å; F128-F153 HydrophobicContact CD2-CB 4.09Å; F128-F153 HydrophobicContact CD2-CD1 4.13Å; F128-F153 AromaticContact CD2-CD2 3.62Å; F128-F153 HydrophobicContact CD2-CD2 3.62Å; F128-F153 HydrophobicContact CD2-CE2 4.05Å; F128-F153 AromaticContact CD2-CG 3.65Å; F128-F153 HydrophobicContact CD2-CG 3.65Å; F128-F153 HydrophobicContact CD2-CZ 4.48Å; F128-F153 HydrophobicContact CE1-CB 3.95Å; F128-F153 AromaticContact CE1-CD1 3.47Å; F128-F153 HydrophobicContact CE1-CD1 3.47Å; F128-F153 VanDerWaalsContact CE1-CD1 3.47Å; F128-F153 HydrophobicContact CE1-CE1 4.14Å; F128-F153 AromaticContact CE1-CG 3.75Å; F128-F153 HydrophobicContact CE1-CG 3.75Å; F128-F153 HydrophobicContact CE2-CB 3.59Å; F128-F153 HydrophobicContact CE2-CD1 4.26Å; F128-F153 HydrophobicContact CE2-CD2 4.03Å; F128-F153 AromaticContact CE2-CG 3.69Å; F128-F153 HydrophobicContact CE2-CG 3.69Å; F128-F153 HydrophobicContact CG-CB 4.47Å; F128-F153 AromaticContact CG-CD1 3.66Å; F128-F153 HydrophobicContact CG-CD1 3.66Å; F128-F153 AromaticContact CG-CD2 3.74Å; F128-F153 HydrophobicContact CG-CD2 3.74Å; F128-F153 AromaticContact CG-CE1 3.72Å; F128-F153 HydrophobicContact CG-CE1 3.72Å; F128-F153 AromaticContact CG-CE2 3.8Å; F128-F153 HydrophobicContact CG-CE2 3.8Å; F128-F153 AromaticContact CG-CG 3.67Å; F128-F153 HydrophobicContact CG-CG 3.67Å; F128-F153 AromaticContact CG-CZ 3.79Å; F128-F153 HydrophobicContact CG-CZ 3.79Å; F128-F153 HydrophobicContact CZ-CB 3.55Å; F128-F153 AromaticContact CZ-CD1 3.99Å; F128-F153 HydrophobicContact CZ-CD1 3.99Å; F128-F153 AromaticContact CZ-CG 3.77Å; F128-F153 HydrophobicContact CZ-CG 3.77Å; E149-F153 PolarHBondContact O-N 3.13Å; V150-F153 PolarHBondContact O-N 3.13Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 2.84Å; F153-E156 WeakPolarHBondContact O-CB 3.47Å; F153-E156 PolarHBondContact O-N 3.46Å; F153-E156 VanDerWaalsContact O-N 3.13Å; F153-I157 HydrophobicContact CD1-CD1 4.32Å; F153-I157 HydrophobicContact CD2-CG2 4.28Å; F153-I157 HydrophobicContact CE1-CD1 3.55Å; F153-I157 HydrophobicContact CE1-CG1 4.29Å; F153-I157 HydrophobicContact CE2-CD1 4.46Å; F153-I157 HydrophobicContact CE2-CG2 3.71Å; F153-I157 HydrophobicContact CZ-CD1 3.64Å; F153-I157 HydrophobicContact CZ-CG1 4.31Å; F153-I157 HydrophobicContact CZ-CG2 3.93Å; F153-I157 WeakPolarHBondContact O-CG1 3.21Å; F153-I157 PolarHBondContact O-N 3.49Å; F153-I157 VanDerWaalsContact O-N 3.08Å; F153-F164 HydrophobicContact CD1-CE1 4.47Å; F153-F164 HydrophobicContact CE1-CD2 4.15Å; F153-F164 HydrophobicContact CE1-CE1 4.33Å; F153-F164 AromaticContact CE1-CE2 3.93Å; F153-F164 HydrophobicContact CE1-CE2 3.93Å; F153-F164 HydrophobicContact CE1-CG 4.49Å; F153-F164 HydrophobicContact CE1-CZ 4.05Å |
| 154 | C | 91.1 | Very high | 84.4 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 178.5 | -78.2 | 0 | 0 | 0 | 0 | 112.1 | V150 R152 G158 V159 | V150-C154 WeakPolarHBondContact O-CB 3.12Å; V150-C154 PolarHBondContact O-N 3.49Å; V150-C154 PolarHBondContact O-SG 3.37Å; R152-C154 PolarHBondContact O-N 3.19Å; C154-G158 PolarHBondContact O-N 3.41Å; C154-G158 VanDerWaalsContact O-N 3.15Å; C154-V159 CarbonylContact C-O 3.52Å; C154-V159 VanDerWaalsContact C-O 3.23Å; C154-V159 WeakPolarHBondContact CA-O 3.42Å; C154-V159 WeakPolarHBondContact CB-O 3.49Å; C154-V159 PolarHBondContact O-N 3.47Å |
| 155 | R | 89.1 | Confident | 85.7 | Confident | 170 Ų | 170 | 63.1 Ų | 63.1 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 177.1 | -168.5 | -175.6 | -51.6 | -174.1 | 6.2 | 111.8 | G146 G151 R152 F153 G158 | G146-R155 PolarHBondContact O-NH2 3.23Å; G151-R155 WeakPolarHBondContact O-CB 3.18Å; G151-R155 PolarHBondContact O-N 3.33Å; G151-R155 VanDerWaalsContact O-N 3.15Å; R152-R155 WeakPolarHBondContact O-CB 3.38Å; R152-R155 PolarHBondContact O-N 3.12Å; R152-R155 VanDerWaalsContact O-N 3.14Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 2.84Å; R155-G158 PolarHBondContact O-N 2.84Å |
| 156 | E | 88.8 | Confident | 87.1 | Confident | 167 Ų | 167 | 60.8 Ų | 60.8 | 78% | 0.78 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.1 | -47 | 180 | -173.2 | 176.1 | -179.8 | 0 | 0 | 112.1 | R152 F153 G158 | R152-E156 PolarHBondContact O-N 3.16Å; F153-E156 WeakPolarHBondContact O-CB 3.47Å; F153-E156 PolarHBondContact O-N 3.46Å; F153-E156 VanDerWaalsContact O-N 3.13Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.01Å |
| 157 | I | 88.9 | Confident | 88.5 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -80.8 | -4.1 | 179.8 | 65.7 | 163.5 | 0 | 0 | 0 | 114.2 | Q121 C124 M125 F153 V159 | Q121-I157 PolarHBondContact NE2-O 3.37Å; C124-I157 HydrophobicContact CB-CG2 4.05Å; M125-I157 HydrophobicContact CG-CD1 3.44Å; M125-I157 VanDerWaalsContact CG-CD1 3.44Å; M125-I157 HydrophobicContact SD-CD1 4.08Å; F153-I157 HydrophobicContact CD1-CD1 4.32Å; F153-I157 HydrophobicContact CD2-CG2 4.28Å; F153-I157 HydrophobicContact CE1-CD1 3.55Å; F153-I157 HydrophobicContact CE1-CG1 4.29Å; F153-I157 HydrophobicContact CE2-CD1 4.46Å; F153-I157 HydrophobicContact CE2-CG2 3.71Å; F153-I157 HydrophobicContact CZ-CD1 3.64Å; F153-I157 HydrophobicContact CZ-CG1 4.31Å; F153-I157 HydrophobicContact CZ-CG2 3.93Å; F153-I157 WeakPolarHBondContact O-CG1 3.21Å; F153-I157 PolarHBondContact O-N 3.49Å; F153-I157 VanDerWaalsContact O-N 3.08Å; I157-V159 HydrophobicContact CD1-CB 3.71Å; I157-V159 HydrophobicContact CD1-CG2 3.74Å; I157-V159 HydrophobicContact CG1-CB 3.89Å; I157-V159 HydrophobicContact CG1-CG2 4.01Å |
| 158 | G | 88.2 | Confident | 89.7 | Confident | 31 Ų | 31 | 58 Ų | 58 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 25.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C154 R155 E156 | C154-G158 PolarHBondContact O-N 3.41Å; C154-G158 VanDerWaalsContact O-N 3.15Å; R155-G158 PolarHBondContact O-N 2.84Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.01Å |
| 159 | V | 87.4 | Confident | 89.8 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | trans | -114.7 | 146.3 | -179.8 | 175.1 | 0 | 0 | 0 | 0 | 110 | F117 M125 C154 I157 V163 F164 | F117-V159 HydrophobicContact CD1-CG2 4.09Å; F117-V159 HydrophobicContact CE1-CG1 4.31Å; F117-V159 HydrophobicContact CE1-CG2 3.89Å; M125-V159 HydrophobicContact CE-CG1 4.31Å; M125-V159 HydrophobicContact SD-CG2 4.32Å; C154-V159 CarbonylContact C-O 3.52Å; C154-V159 VanDerWaalsContact C-O 3.23Å; C154-V159 WeakPolarHBondContact CA-O 3.42Å; C154-V159 WeakPolarHBondContact CB-O 3.49Å; C154-V159 PolarHBondContact O-N 3.47Å; I157-V159 HydrophobicContact CD1-CB 3.71Å; I157-V159 HydrophobicContact CD1-CG2 3.74Å; I157-V159 HydrophobicContact CG1-CB 3.89Å; I157-V159 HydrophobicContact CG1-CG2 4.01Å; V159-V163 HydrophobicContact CG1-CB 3.7Å; V159-V163 HydrophobicContact CG1-CG1 3.55Å; V159-F164 HydrophobicContact CG1-CB 4.11Å | ||
| 160 | T | 87.9 | Confident | 89.8 | Confident | 83 Ų | 83 | 65 Ų | 65 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | trans | -79.2 | 150.1 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | Q162 V163 F164 | T160-Q162 PolarHBondContact O-N 2.82Å; T160-Q162 VanDerWaalsContact O-N 3.08Å; T160-V163 PolarHBondContact O-N 2.81Å; T160-V163 WeakPolarHBondContact OG1-CB 3.47Å; T160-V163 WeakPolarHBondContact OG1-CG2 3.14Å; T160-V163 PolarHBondContact OG1-N 3.19Å; T160-V163 VanDerWaalsContact OG1-N 3.1Å; T160-F164 PolarHBondContact O-N 3.39Å | ||
| 161 | R | 90.2 | Very high | 89.4 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -51.5 | -35.9 | 173.7 | -168 | 178.9 | -133.4 | -80.8 | 9.9 | 112.7 | M136 P137 D148 V150 K165 | M136-R161 PolarHBondContact SD-NH1 2.82Å; P137-R161 PolarHBondContact O-NH1 3.37Å; P137-R161 PolarHBondContact O-NH2 2.84Å; D148-R161 IonicContact OD2-CZ 3.48Å; D148-R161 IonicContact OD2-NE 2.86Å; D148-R161 PolarHBondContact OD2-NE 2.79Å; D148-R161 IonicContact OD2-NH2 3.18Å; D148-R161 PolarHBondContact OD2-NH2 3.06Å; V150-R161 VanDerWaalsContact CB-NH2 3.35Å; V150-R161 HydrophobicContact CG1-CG 4.01Å; R161-K165 VanDerWaalsContact O-CB 3.29Å; R161-K165 WeakPolarHBondContact O-CB 3.48Å; R161-K165 PolarHBondContact O-N 2.92Å |
| 162 | Q | 87.3 | Confident | 89 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.9 | -44.3 | 176.9 | -178.4 | 66.5 | -7.5 | 0 | 0 | 112.1 | T160 K165 V166 | T160-Q162 PolarHBondContact O-N 2.82Å; T160-Q162 VanDerWaalsContact O-N 3.08Å; Q162-K165 PolarHBondContact O-N 3.23Å; Q162-V166 WeakPolarHBondContact O-CG2 3.22Å; Q162-V166 PolarHBondContact O-N 3.47Å |
| 163 | V | 90.4 | Very high | 87.7 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | F117 V159 T160 K165 V166 W167 | F117-V163 HydrophobicContact CE1-CG1 3.69Å; F117-V163 HydrophobicContact CZ-CG1 3.42Å; F117-V163 VanDerWaalsContact CZ-CG1 3.42Å; V159-V163 HydrophobicContact CG1-CB 3.7Å; V159-V163 HydrophobicContact CG1-CG1 3.55Å; T160-V163 PolarHBondContact O-N 2.81Å; T160-V163 WeakPolarHBondContact OG1-CB 3.47Å; T160-V163 WeakPolarHBondContact OG1-CG2 3.14Å; T160-V163 PolarHBondContact OG1-N 3.19Å; T160-V163 VanDerWaalsContact OG1-N 3.1Å; V163-K165 PolarHBondContact O-N 2.78Å; V163-V166 PolarHBondContact O-N 2.83Å; V163-W167 WeakPolarHBondContact O-CB 3.37Å; V163-W167 PolarHBondContact O-N 3.3Å |
| 164 | F | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.9 | -178.3 | -120.7 | 0 | 0 | 0 | 112 | M125 F128 A129 L132 M136 V150 F153 V159 T160 V166 W167 M168 | M125-F164 HydrophobicContact CB-CD2 4.23Å; M125-F164 HydrophobicContact CB-CE2 3.88Å; M125-F164 HydrophobicContact CE-CD2 3.65Å; M125-F164 HydrophobicContact CE-CE2 4.41Å; M125-F164 HydrophobicContact CG-CD2 3.92Å; M125-F164 HydrophobicContact CG-CE2 4.03Å; F128-F164 AromaticContact CD1-CE1 3.64Å; F128-F164 HydrophobicContact CD1-CE1 3.64Å; F128-F164 AromaticContact CD1-CZ 3.56Å; F128-F164 HydrophobicContact CD1-CZ 3.56Å; F128-F164 AromaticContact CE1-CE1 3.83Å; F128-F164 HydrophobicContact CE1-CE1 3.83Å; F128-F164 HydrophobicContact CE1-CZ 4.24Å; A129-F164 HydrophobicContact CB-CZ 4.38Å; L132-F164 HydrophobicContact CD1-CE1 4.12Å; M136-F164 HydrophobicContact CE-CD1 3.51Å; M136-F164 HydrophobicContact CE-CE1 3.82Å; M136-F164 HydrophobicContact CE-CG 4.41Å; V150-F164 HydrophobicContact CG1-CD1 3.86Å; V150-F164 HydrophobicContact CG1-CE1 4.17Å; F153-F164 HydrophobicContact CD1-CE1 4.47Å; F153-F164 HydrophobicContact CE1-CD2 4.15Å; F153-F164 HydrophobicContact CE1-CE1 4.33Å; F153-F164 AromaticContact CE1-CE2 3.93Å; F153-F164 HydrophobicContact CE1-CE2 3.93Å; F153-F164 HydrophobicContact CE1-CG 4.49Å; F153-F164 HydrophobicContact CE1-CZ 4.05Å; V159-F164 HydrophobicContact CG1-CB 4.11Å; T160-F164 PolarHBondContact O-N 3.39Å; F164-V166 PolarHBondContact O-N 3.17Å; F164-W167 HydrophobicContact CD2-CE3 4.06Å; F164-W167 AromaticContact CE2-CE3 3.83Å; F164-W167 HydrophobicContact CE2-CE3 3.83Å; F164-W167 AromaticContact CE2-CZ3 3.97Å; F164-W167 HydrophobicContact CE2-CZ3 3.97Å; F164-W167 PolarHBondContact O-N 3.22Å; F164-M168 HydrophobicContact CD1-SD 4.09Å; F164-M168 HydrophobicContact CD2-CG 4.34Å; F164-M168 HydrophobicContact CE1-CG 4.04Å; F164-M168 HydrophobicContact CE1-SD 3.38Å; F164-M168 WeakPolarHBondContact CE1-SD 3.35Å; F164-M168 HydrophobicContact CE2-CG 3.84Å; F164-M168 HydrophobicContact CE2-SD 4.26Å; F164-M168 HydrophobicContact CZ-CG 3.64Å; F164-M168 HydrophobicContact CZ-SD 3.46Å; F164-M168 WeakPolarHBondContact CZ-SD 3.34Å; F164-M168 WeakPolarHBondContact O-CG 3.35Å; F164-M168 PolarHBondContact O-N 2.82Å |
| 165 | K | 92.8 | Very high | 83.5 | Confident | 112 Ų | 112 | 77.2 Ų | 77.2 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 173.8 | 178.5 | -175.2 | 169.6 | -178.4 | 0 | 112.4 | M136 R161 Q162 V163 W167 M168 H169 | M136-K165 HydrophobicContact CE-CB 3.75Å; M136-K165 HydrophobicContact CE-CG 4.39Å; M136-K165 HydrophobicContact CG-CG 4.39Å; R161-K165 VanDerWaalsContact O-CB 3.29Å; R161-K165 WeakPolarHBondContact O-CB 3.48Å; R161-K165 PolarHBondContact O-N 2.92Å; Q162-K165 PolarHBondContact O-N 3.23Å; V163-K165 PolarHBondContact O-N 2.78Å; K165-W167 VanDerWaalsContact C-N 3.33Å; K165-M168 PolarHBondContact O-N 3.26Å; K165-H169 PolarHBondContact O-N 3.37Å; K165-H169 VanDerWaalsContact O-N 3.07Å |
| 166 | V | 89 | Confident | 81 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 42% | 0.418 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Q162 V163 F164 H169 N170 | Q162-V166 WeakPolarHBondContact O-CG2 3.22Å; Q162-V166 PolarHBondContact O-N 3.47Å; V163-V166 PolarHBondContact O-N 2.83Å; F164-V166 PolarHBondContact O-N 3.17Å; V166-H169 PolarHBondContact O-N 3.1Å; V166-N170 VanDerWaalsContact O-CG 3.24Å; V166-N170 PolarHBondContact O-N 3.06Å; V166-N170 PolarHBondContact O-ND2 2.78Å |
| 167 | W | 92 | Very high | 78.5 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 6% | 0.057 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.8 | 179.6 | 89.2 | 0 | 0 | 0 | 112.1 | F117 M125 A126 A129 W134 V163 F164 K165 H169 N170 H171 | F117-W167 AromaticContact CE2-CD1 3.65Å; F117-W167 HydrophobicContact CE2-CG 4.4Å; M125-W167 VanDerWaalsContact C-CH2 3.49Å; M125-W167 HydrophobicContact CB-CD2 4.21Å; M125-W167 HydrophobicContact CB-CE3 3.91Å; M125-W167 HydrophobicContact CB-CH2 3.63Å; M125-W167 HydrophobicContact CB-CZ2 3.9Å; M125-W167 HydrophobicContact CB-CZ3 3.63Å; M125-W167 HydrophobicContact CE-CB 3.52Å; M125-W167 HydrophobicContact CE-CD2 3.4Å; M125-W167 VanDerWaalsContact CE-CD2 3.4Å; M125-W167 HydrophobicContact CE-CE3 3.81Å; M125-W167 HydrophobicContact CE-CG 3.25Å; M125-W167 WeakPolarHBondContact O-CZ3 3.32Å; M125-W167 HydrophobicContact SD-CD2 4.39Å; A126-W167 HydrophobicContact CB-CH2 4.09Å; A129-W167 HydrophobicContact CB-CZ3 4.05Å; W134-W167 HydrophobicContact CH2-CH2 4.13Å; W134-W167 HydrophobicContact CH2-CZ3 4.29Å; W134-W167 HydrophobicContact CZ3-CH2 4.48Å; W134-W167 HydrophobicContact CZ3-CZ3 4.23Å; V163-W167 WeakPolarHBondContact O-CB 3.37Å; V163-W167 PolarHBondContact O-N 3.3Å; F164-W167 HydrophobicContact CD2-CE3 4.06Å; F164-W167 AromaticContact CE2-CE3 3.83Å; F164-W167 HydrophobicContact CE2-CE3 3.83Å; F164-W167 AromaticContact CE2-CZ3 3.97Å; F164-W167 HydrophobicContact CE2-CZ3 3.97Å; F164-W167 PolarHBondContact O-N 3.22Å; K165-W167 VanDerWaalsContact C-N 3.33Å; W167-H169 VanDerWaalsContact C-N 3.28Å; W167-H169 PolarHBondContact O-N 2.84Å; W167-N170 PolarHBondContact O-N 3.01Å; W167-N170 VanDerWaalsContact O-N 3.13Å; W167-H171 AromaticContact CD1-CD2 3.62Å; W167-H171 AromaticContact CE2-CD2 3.76Å; W167-H171 AromaticContact CE2-CG 3.94Å; W167-H171 HydrophobicContact CH2-CB 4.5Å; W167-H171 HydrophobicContact CZ2-CB 4.25Å; W167-H171 AromaticContact NE1-CD2 3.3Å; W167-H171 PolarHBondContact NE1-CD2 3.22Å; W167-H171 VanDerWaalsContact NE1-CD2 3.3Å; W167-H171 AromaticContact NE1-CG 3.91Å; W167-H171 AromaticContact NE1-NE2 3.52Å; W167-H171 WeakPolarHBondContact O-CB 3.29Å; W167-H171 PolarHBondContact O-N 2.83Å |
| 168 | M | 92.9 | Very high | 76.1 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.039 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 175.3 | -76.2 | -176.6 | 77.4 | 0 | 0 | 111.7 | A129 L132 W134 M136 F164 K165 K172 | A129-M168 HydrophobicContact CB-CE 3.98Å; A129-M168 HydrophobicContact CB-CG 4.15Å; A129-M168 HydrophobicContact CB-SD 4.5Å; L132-M168 HydrophobicContact CB-CE 4.4Å; L132-M168 HydrophobicContact CD1-CE 4.48Å; L132-M168 HydrophobicContact CD1-SD 4.46Å; W134-M168 VanDerWaalsContact C-CE 3.45Å; W134-M168 VanDerWaalsContact CA-CE 3.46Å; M136-M168 HydrophobicContact CE-SD 3.45Å; M136-M168 WeakPolarHBondContact CE-SD 3.4Å; F164-M168 HydrophobicContact CD1-SD 4.09Å; F164-M168 HydrophobicContact CD2-CG 4.34Å; F164-M168 HydrophobicContact CE1-CG 4.04Å; F164-M168 HydrophobicContact CE1-SD 3.38Å; F164-M168 WeakPolarHBondContact CE1-SD 3.35Å; F164-M168 HydrophobicContact CE2-CG 3.84Å; F164-M168 HydrophobicContact CE2-SD 4.26Å; F164-M168 HydrophobicContact CZ-CG 3.64Å; F164-M168 HydrophobicContact CZ-SD 3.46Å; F164-M168 WeakPolarHBondContact CZ-SD 3.34Å; F164-M168 WeakPolarHBondContact O-CG 3.35Å; F164-M168 PolarHBondContact O-N 2.82Å; K165-M168 PolarHBondContact O-N 3.26Å; M168-K172 WeakPolarHBondContact O-CB 3.18Å; M168-K172 PolarHBondContact O-N 3.01Å; M168-K172 VanDerWaalsContact O-N 3.09Å |
| 169 | H | 88 | Confident | 73.4 | Confident | 151 Ų | 151 | 73.9 Ų | 73.9 | 70% | 0.699 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 177.1 | 178.4 | 69.6 | 0 | 0 | 0 | 112.4 | K165 V166 W167 | K165-H169 PolarHBondContact O-N 3.37Å; K165-H169 VanDerWaalsContact O-N 3.07Å; V166-H169 PolarHBondContact O-N 3.1Å; W167-H169 VanDerWaalsContact C-N 3.28Å; W167-H169 PolarHBondContact O-N 2.84Å |
| 170 | N | 88.7 | Confident | 71.2 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76 | -32.5 | -178.3 | -68 | -16.1 | 0 | 0 | 0 | 113.4 | V166 W167 | V166-N170 VanDerWaalsContact O-CG 3.24Å; V166-N170 PolarHBondContact O-N 3.06Å; V166-N170 PolarHBondContact O-ND2 2.78Å; W167-N170 PolarHBondContact O-N 3.01Å; W167-N170 VanDerWaalsContact O-N 3.13Å |
| 171 | H | 84.3 | Confident | 69 | Low | 98 Ų | 98 | 78 Ų | 78 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -98.4 | -0.5 | -175.5 | -86.8 | -94.3 | 0 | 0 | 0 | 114.2 | W134 W167 S173 | W134-H171 HydrophobicContact CH2-CB 4.2Å; W134-H171 HydrophobicContact CZ3-CB 3.94Å; W134-H171 WeakPolarHBondContact CZ3-O 3.18Å; W167-H171 AromaticContact CD1-CD2 3.62Å; W167-H171 AromaticContact CE2-CD2 3.76Å; W167-H171 AromaticContact CE2-CG 3.94Å; W167-H171 HydrophobicContact CH2-CB 4.5Å; W167-H171 HydrophobicContact CZ2-CB 4.25Å; W167-H171 AromaticContact NE1-CD2 3.3Å; W167-H171 PolarHBondContact NE1-CD2 3.22Å; W167-H171 VanDerWaalsContact NE1-CD2 3.3Å; W167-H171 AromaticContact NE1-CG 3.91Å; W167-H171 AromaticContact NE1-NE2 3.52Å; W167-H171 WeakPolarHBondContact O-CB 3.29Å; W167-H171 PolarHBondContact O-N 2.83Å; H171-S173 VanDerWaalsContact C-N 3.3Å; H171-S173 PolarHBondContact O-N 3.23Å; H171-S173 PolarHBondContact O-OG 3.48Å |
| 172 | K | 81.4 | Confident | 66.9 | Low | 89 Ų | 89 | 80.2 Ų | 80.2 | 39% | 0.387 | 56% | 0.564 | S | S | . | * | trans | -64.1 | 92.3 | 176.4 | -172.7 | 177.6 | 178.8 | -173.3 | 0 | 109.4 | W134 M168 G174 | W134-K172 HydrophobicContact CB-CD 4.35Å; W134-K172 HydrophobicContact CB-CG 4.22Å; W134-K172 HydrophobicContact CE3-CB 4.05Å; W134-K172 HydrophobicContact CE3-CG 4.39Å; M168-K172 WeakPolarHBondContact O-CB 3.18Å; M168-K172 PolarHBondContact O-N 3.01Å; M168-K172 VanDerWaalsContact O-N 3.09Å; K172-G174 PolarHBondContact O-N 3.38Å | ||
| 173 | S | 59.7 | Low | 64.7 | Low | 101 Ų | 101 | 78.1 Ų | 78.1 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | trans | -57.7 | 102.2 | -180 | -38.2 | 0 | 0 | 0 | 0 | 109.7 | H171 G175 | H171-S173 VanDerWaalsContact C-N 3.3Å; H171-S173 PolarHBondContact O-N 3.23Å; H171-S173 PolarHBondContact O-OG 3.48Å; S173-G175 PolarHBondContact O-N 3.34Å | ||
| 174 | G | 51.6 | Low | 62.8 | Low | 91 Ų | 91 | 81.3 Ų | 81.3 | 94% | 0.938 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 36.5 | 10.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 123 | K172 | K172-G174 PolarHBondContact O-N 3.38Š|
| 175 | G | 44.3 | Very low | 60.5 | Low | 62 Ų | 62 | 85.6 Ų | 85.6 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | trans | -135.6 | 110.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S173 | S173-G175 PolarHBondContact O-N 3.34Š| ||
| 176 | G | 35.8 | Very low | 58.1 | Low | 72 Ų | 72 | 83.7 Ų | 83.7 | 74% | 0.742 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 90 | 70.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 177 | S | 38 | Very low | 56.1 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 58% | 0.58 | 68% | 0.684 | S | S | * | * | S | Bend | 168.7 | 99.9 | 128.9 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | |||
| 178 | G | 36.8 | Very low | 54 | Low | 83 Ų | 83 | 88.2 Ų | 88.2 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | trans | 143 | 63.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 179 | G | 32.4 | Very low | 52 | Low | 84 Ų | 84 | 96.3 Ų | 96.3 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | -76.5 | 122.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 180 | A | 40.6 | Very low | 50 | Low | 104 Ų | 104 | 95.1 Ų | 95.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -173.2 | 108.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 181 | G | 41.9 | Very low | 48 | Very low | 81 Ų | 81 | 94.6 Ų | 94.6 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 89.2 | 145.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 182 | A | 45.7 | Very low | 46.5 | Very low | 103 Ų | 103 | 95.2 Ų | 95.2 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | cis | -175.1 | 146.1 | -14.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 183 | G | 42.1 | Very low | 45.2 | Very low | 76 Ų | 76 | 95.9 Ų | 95.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 94.2 | 106.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 184 | A | 49.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 96.9 Ų | 96.9 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | cis | 101.2 | 122.1 | 45 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 185 | G | 43.5 | Very low | 45 | Very low | 90 Ų | 90 | 98.2 Ų | 98.2 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | trans | 100.9 | 124.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 186 | G | 41.5 | Very low | 45.2 | Very low | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 170.9 | 131.2 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 187 | A | 46.8 | Very low | 45.7 | Very low | 107 Ų | 107 | 107.5 Ų | 107.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | 32 | 142.7 | 132.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 188 | A | 47.6 | Very low | 46 | Very low | 73 Ų | 73 | 107.6 Ų | 107.6 | 60% | 0.603 | 81% | 0.814 | S | S | * | * | cis | -178.3 | 151.1 | 15 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 189 | Q | 50.7 | Low | 46.5 | Very low | 177 Ų | 177 | 107.6 Ų | 107.6 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 59.5 | 143.4 | 132.7 | -62.7 | 177.9 | 69.3 | 0 | 0 | 119.2 | ||||
| 190 | T | 46.6 | Very low | 47.4 | Very low | 126 Ų | 126 | 110 Ų | 110 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | -171 | 164.7 | 13.3 | 26.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 191 | S | 47.6 | Very low | 47.7 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 153.8 | -179.9 | 43.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 192 | S | 52.1 | Low | 48.1 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | 159.3 | 135.4 | 118.3 | 50.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 193 | S | 54.7 | Low | 48.7 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | 82.3 | 120.8 | 136.8 | -56.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 194 | T | 51.5 | Low | 49.1 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 86.5 | 107.2 | 130.1 | 51.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 195 | T | 54.7 | Low | 49 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | 63.4 | 123.7 | 127 | 74.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 196 | R | 48.5 | Very low | 49.3 | Very low | 244 Ų | 244 | 110.1 Ų | 110.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | 157.5 | 139.2 | 99.3 | -78.6 | -173.5 | 96.6 | -177 | 4.4 | 112.5 | |||||
| 197 | G | 46.8 | Very low | 49.6 | Very low | 84 Ų | 84 | 110.7 Ų | 110.7 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 88.2 | 131.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 198 | G | 45 | Very low | 50.1 | Low | 85 Ų | 85 | 111.4 Ų | 111.4 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | cis | 144.2 | 127.2 | 10.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 199 | G | 47.4 | Very low | 51.1 | Low | 84 Ų | 84 | 117 Ų | 117 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | 153.1 | 103 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 200 | S | 49.9 | Very low | 51.7 | Low | 135 Ų | 135 | 113.6 Ų | 113.6 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | trans | -77.3 | 153.4 | -174.9 | -49.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 201 | G | 47 | Very low | 52.4 | Low | 78 Ų | 78 | 114 Ų | 114 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 179.1 | 79.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 202 | A | 51.2 | Low | 52.7 | Low | 88 Ų | 88 | 113 Ų | 113 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | 53.1 | 112.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 203 | V | 58 | Low | 53.1 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | 59.3 | 129.7 | 127.1 | -46.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 204 | G | 49.7 | Very low | 52.8 | Low | 77 Ų | 77 | 116 Ų | 116 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | 144.9 | 101.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 205 | G | 47.5 | Very low | 53.1 | Low | 85 Ų | 85 | 114.5 Ų | 114.5 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | 60.3 | 125.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 206 | G | 49.9 | Very low | 52.9 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | cis | 111.2 | 110.3 | 34.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 207 | G | 47.7 | Very low | 53.6 | Low | 84 Ų | 84 | 111 Ų | 111 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 139.9 | 77.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 208 | S | 57.8 | Low | 54.6 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -73.6 | 140 | 160 | -83.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 209 | M | 68 | Low | 55.1 | Low | 190 Ų | 190 | 118 Ų | 118 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -147.1 | 123.9 | 137.4 | 53.5 | -175.2 | 166.5 | 0 | 0 | 109.7 | ||||
| 210 | S | 64 | Low | 55.8 | Low | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -71.7 | 153.1 | -176.1 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 211 | P | 60.5 | Low | 56.1 | Low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -81 | 130.3 | 161.2 | 32.8 | -28.4 | 0 | 0 | 0 | 109.1 | ||||
| 212 | A | 54.3 | Low | 56.9 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | trans | -119.7 | 142.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 213 | I | 61.6 | Low | 57.4 | Low | 159 Ų | 159 | 127.3 Ų | 127.3 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | 86.7 | 99.1 | 154.9 | 84 | 165.5 | 0 | 0 | 0 | 119.2 | ||||
| 214 | C | 47.8 | Very low | 57.5 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -60.5 | 140.4 | 142.5 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 215 | A | 58.6 | Low | 58.1 | Low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -147.4 | 108 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 216 | D | 49.3 | Very low | 58.6 | Low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -51 | 138.6 | 162.6 | -61.6 | -96.1 | 0 | 0 | 0 | 111.3 | ||||
| 217 | V | 64.8 | Low | 59.3 | Low | 145 Ų | 145 | 137.7 Ų | 137.7 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -126.3 | 108.2 | 159.9 | 171.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 218 | E | 66.6 | Low | 60 | Low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 146.3 | 175.2 | -65.7 | 174.9 | 95 | 0 | 0 | 111.2 | ||||
| 219 | D | 55.5 | Low | 60.3 | Low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 4.1 | 128.2 | 148 | -149.5 | -100.3 | 0 | 0 | 0 | 119.4 | ||||
| 220 | D | 61.3 | Low | 60.2 | Low | 147 Ų | 147 | 137.6 Ų | 137.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -149.7 | 89 | 147 | -145 | -83.5 | 0 | 0 | 0 | 109.4 | ||||
| 221 | E | 57.9 | Low | 60.1 | Low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -73.7 | 105.4 | 156.5 | -97.8 | -140.9 | 108.4 | 0 | 0 | 109.2 | ||||
| 222 | E | 63.5 | Low | 60.1 | Low | 161 Ų | 161 | 145.8 Ų | 145.8 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -143 | 107.4 | 157.3 | -117.4 | -151.9 | 125.8 | 0 | 0 | 113.2 | ||||
| 223 | V | 60.7 | Low | 60.4 | Low | 92 Ų | 92 | 149 Ų | 149 | 56% | 0.558 | 83% | 0.834 | S | S | * | * | 35 | 100.9 | 127.8 | 175.5 | 0 | 0 | 0 | 0 | 116.6 | R225 | V223-R225 HydrophobicContact CG1-CG 4.16Š| |||
| 224 | M | 61.5 | Low | 60.4 | Low | 196 Ų | 196 | 148.4 Ų | 148.4 | 97% | 0.966 | 84% | 0.835 | S | S | * | * | trans | -119.4 | 98.2 | 136.9 | -88.9 | -157.3 | -170.6 | 0 | 0 | 110.4 | ||||
| 225 | R | 62 | Low | 61.1 | Low | 215 Ų | 215 | 150.2 Ų | 150.2 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | -62.5 | 129.1 | 159.6 | -76.6 | 176.5 | 162.7 | 101.2 | 0.4 | 109.5 | V223 | V223-R225 HydrophobicContact CG1-CG 4.16Š| ||
| 226 | G | 56.6 | Low | 61.3 | Low | 68 Ų | 68 | 154.1 Ų | 154.1 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | trans | 76.6 | 114.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 227 | S | 66.1 | Low | 62.1 | Low | 137 Ų | 137 | 154.7 Ų | 154.7 | 96% | 0.958 | 85% | 0.848 | S | S | * | * | trans | -176.1 | 136.4 | 130.4 | -83.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 228 | G | 62 | Low | 61.9 | Low | 75 Ų | 75 | 155.4 Ų | 155.4 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | trans | 127.4 | 52.3 | 160 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 229 | M | 64.3 | Low | 61.5 | Low | 199 Ų | 199 | 153.9 Ų | 153.9 | 98% | 0.98 | 85% | 0.848 | S | S | * | * | trans | -81.8 | 113.2 | 149 | -147.9 | 92.2 | 135.2 | 0 | 0 | 106.4 | ||||
| 230 | C | 65.7 | Low | 62 | Low | 122 Ų | 122 | 155 Ų | 155 | 82% | 0.824 | 86% | 0.856 | S | S | * | * | trans | -134.1 | 147.8 | 157 | 59.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 231 | M | 62.7 | Low | 62.1 | Low | 266 Ų | 266 | 155.7 Ų | 155.7 | 100% | 1.31 | 86% | 0.862 | S | S | * | * | trans | -52.9 | 0 | -157.4 | -62.9 | 176.1 | 169.4 | 0 | 0 | 116.6 |
Retrieved 231 of 231 residues in 77.7 ms
(Link to these results)