| 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 | 33.2 | Very low | 32.5 | Very low | 243 Ų | 243 | 136.1 Ų | 136.1 | 100% | 1.197 | 79% | 0.794 | S | S | * | * | 0 | 102.1 | 0 | -72.9 | 178.2 | 167.6 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.38Š| |||
| 2 | G | 32.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -84.5 | 98.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | S | 35.5 | Very low | 32.6 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -96.3 | 83.7 | 165 | 41.4 | 0 | 0 | 0 | 0 | 108.4 | M1 Q5 | M1-S3 PolarHBondContact O-N 3.38Å; S3-Q5 PolarHBondContact O-N 3.33Å | ||
| 4 | A | 32.5 | Very low | 32.3 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -67.8 | 86.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | N6 | A4-N6 PolarHBondContact O-N 3.19Å; A4-N6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | Q | 34 | Very low | 32.3 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | trans | -72.1 | 104 | 171.5 | -70.1 | -178.4 | -15.8 | 0 | 0 | 108 | S3 N7 | S3-Q5 PolarHBondContact O-N 3.33Å; Q5-N7 PolarHBondContact O-N 2.87Å | ||
| 6 | N | 30 | Very low | 32.1 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 77.2 | 172.3 | -84.1 | -50.1 | 0 | 0 | 0 | 111 | A4 G8 | A4-N6 PolarHBondContact O-N 3.19Å; A4-N6 VanDerWaalsContact O-N 3.12Å; N6-G8 VanDerWaalsContact C-N 3.32Å | ||
| 7 | N | 35.3 | Very low | 31.9 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -95.8 | 34.8 | 172.6 | -74.2 | -26.2 | 0 | 0 | 0 | 112.2 | Q5 | Q5-N7 PolarHBondContact O-N 2.87Š| ||
| 8 | G | 26.6 | Very low | 32.2 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | -109.2 | -9.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | N6 | N6-G8 VanDerWaalsContact C-N 3.32Š| ||
| 9 | I | 34.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -95.9 | -11.6 | -168.3 | -58.3 | -178.9 | 0 | 0 | 0 | 113.5 | E11 | I9-E11 PolarHBondContact O-N 3.49Š|
| 10 | H | 34.1 | Very low | 32.8 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -2.2 | -168.1 | -124.3 | -103.1 | 0 | 0 | 0 | 117.1 | ||
| 11 | E | 30.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 1.8 | -175.8 | -66.7 | -156.2 | 150.7 | 0 | 0 | 116.7 | I9 | I9-E11 PolarHBondContact O-N 3.49Š|
| 12 | N | 30.3 | Very low | 33.8 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 46% | 0.46 | 68% | 0.678 | S | S | . | * | trans | -120.2 | 34 | -163.9 | -138 | 17.6 | 0 | 0 | 0 | 117.1 | F14 R15 | N12-F14 VanDerWaalsContact C-N 3.27Å; N12-F14 PolarHBondContact O-N 3.37Å; N12-R15 PolarHBondContact ND2-NE 3.15Å; N12-R15 PolarHBondContact OD1-NE 2.84Å; N12-R15 PolarHBondContact OD1-NH2 2.93Å | ||
| 13 | C | 35.2 | Very low | 34.3 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 48% | 0.48 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -12.9 | 168.7 | -72.5 | 0 | 0 | 0 | 0 | 113.8 | H26 | C13-H26 PolarHBondContact SG-O 3.49Š|
| 14 | F | 29.2 | Very low | 34.8 | Very low | 189 Ų | 189 | 119.9 Ų | 119.9 | 83% | 0.829 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -11 | -174.1 | -146.5 | -99.2 | 0 | 0 | 0 | 114.1 | N12 K16 | N12-F14 VanDerWaalsContact C-N 3.27Å; N12-F14 PolarHBondContact O-N 3.37Å; F14-K16 PolarHBondContact O-N 3.31Å; F14-K16 VanDerWaalsContact O-N 3.11Å |
| 15 | R | 31.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 122.2 Ų | 122.2 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -84.3 | 96.2 | -174.1 | -127.3 | -176.7 | -78.3 | -144.1 | -0.4 | 110.9 | N12 | N12-R15 PolarHBondContact ND2-NE 3.15Å; N12-R15 PolarHBondContact OD1-NE 2.84Å; N12-R15 PolarHBondContact OD1-NH2 2.93Å |
| 16 | K | 29 | Very low | 35.8 | Very low | 188 Ų | 188 | 121.1 Ų | 121.1 | 82% | 0.817 | 62% | 0.618 | S | S | * | * | trans | 29.8 | 105.7 | 151.1 | -60.9 | 174.4 | -178.7 | 175.2 | 0 | 115.5 | F14 | F14-K16 PolarHBondContact O-N 3.31Å; F14-K16 VanDerWaalsContact O-N 3.11Å | ||
| 17 | T | 30.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 115 Ų | 115 | 66% | 0.656 | 59% | 0.587 | S | S | * | * | trans | 169.8 | 153.4 | 139.1 | 36.9 | 0 | 0 | 0 | 0 | 110.9 | K19 | T17-K19 PolarHBondContact O-N 3.47Š| ||
| 18 | N | 36.1 | Very low | 38.3 | Very low | 142 Ų | 142 | 109.7 Ų | 109.7 | 76% | 0.759 | 56% | 0.561 | S | S | * | * | trans | -66.6 | 76.3 | 177.1 | -68.2 | -42.8 | 0 | 0 | 0 | 111.1 | R113 | N18-R113 PolarHBondContact OD1-NH2 3Š| ||
| 19 | K | 36 | Very low | 40.7 | Very low | 97 Ų | 97 | 107 Ų | 107 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | trans | -80.2 | 133.7 | -178.1 | -77.7 | -178.6 | 175.6 | -151.9 | 0 | 111.4 | T17 Q23 | T17-K19 PolarHBondContact O-N 3.47Å; K19-Q23 HydrophobicContact CB-CB 3.6Å; K19-Q23 HydrophobicContact CB-CG 4.37Å; K19-Q23 HydrophobicContact CD-CB 4.03Å; K19-Q23 HydrophobicContact CG-CB 3.91Å; K19-Q23 HydrophobicContact CG-CG 4.3Å | ||
| 20 | T | 41 | Very low | 43 | Very low | 91 Ų | 91 | 106.1 Ų | 106.1 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | trans | -73 | 168.9 | 177.5 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | A22 Q23 L24 | T20-A22 PolarHBondContact O-N 3.22Å; T20-Q23 WeakPolarHBondContact O-CA 3.49Å; T20-Q23 WeakPolarHBondContact O-CB 3.27Å; T20-Q23 PolarHBondContact O-N 3.46Å; T20-L24 PolarHBondContact O-N 3.39Å | ||
| 21 | F | 46.2 | Very low | 45.4 | Very low | 123 Ų | 123 | 98.6 Ų | 98.6 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -51.1 | -38.9 | 178.2 | -173.8 | -99 | 0 | 0 | 0 | 112.8 | Q23 L24 I74 | F21-Q23 PolarHBondContact O-N 3.36Å; F21-L24 HydrophobicContact CD2-CD1 3.94Å; F21-L24 VanDerWaalsContact O-CB 3.25Å; F21-L24 WeakPolarHBondContact O-CB 3.33Å; F21-L24 PolarHBondContact O-N 2.93Å; F21-I74 HydrophobicContact CE2-CG2 4.08Å; F21-I74 HydrophobicContact CZ-CB 4.44Å; F21-I74 HydrophobicContact CZ-CD1 4.33Å; F21-I74 HydrophobicContact CZ-CG2 3.92Å |
| 22 | A | 40.2 | Very low | 48 | Very low | 62 Ų | 62 | 90 Ų | 90 | 51% | 0.512 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -61.5 | -26.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T20 E25 | T20-A22 PolarHBondContact O-N 3.22Å; A22-E25 WeakPolarHBondContact O-CG 3.5Å |
| 23 | Q | 42.7 | Very low | 50.7 | Low | 95 Ų | 95 | 85.9 Ų | 85.9 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -91.2 | -3.1 | 177.5 | -73.2 | -92.8 | -24.3 | 0 | 0 | 112.6 | K19 T20 F21 E25 | K19-Q23 HydrophobicContact CB-CB 3.6Å; K19-Q23 HydrophobicContact CB-CG 4.37Å; K19-Q23 HydrophobicContact CD-CB 4.03Å; K19-Q23 HydrophobicContact CG-CB 3.91Å; K19-Q23 HydrophobicContact CG-CG 4.3Å; T20-Q23 WeakPolarHBondContact O-CA 3.49Å; T20-Q23 WeakPolarHBondContact O-CB 3.27Å; T20-Q23 PolarHBondContact O-N 3.46Å; F21-Q23 PolarHBondContact O-N 3.36Å; Q23-E25 VanDerWaalsContact C-N 3.26Å |
| 24 | L | 47.3 | Very low | 53 | Low | 19 Ų | 19 | 87.4 Ų | 87.4 | 10% | 0.099 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -75.6 | -17.4 | 169.3 | -58.9 | 179 | 0 | 0 | 0 | 112.1 | T20 F21 H26 C27 I74 L110 F114 | T20-L24 PolarHBondContact O-N 3.39Å; F21-L24 HydrophobicContact CD2-CD1 3.94Å; F21-L24 VanDerWaalsContact O-CB 3.25Å; F21-L24 WeakPolarHBondContact O-CB 3.33Å; F21-L24 PolarHBondContact O-N 2.93Å; L24-H26 PolarHBondContact O-N 3.38Å; L24-H26 VanDerWaalsContact O-N 3.16Å; L24-C27 WeakPolarHBondContact O-CB 3.42Å; L24-C27 PolarHBondContact O-N 3.02Å; L24-I74 HydrophobicContact CB-CD1 4Å; L24-L110 HydrophobicContact CD2-CD1 3.64Å; L24-L110 HydrophobicContact CD2-CD2 3.53Å; L24-L110 HydrophobicContact CD2-CG 4.11Å; L24-F114 HydrophobicContact CD1-CE2 3.81Å; L24-F114 HydrophobicContact CD1-CZ 4.09Å; L24-F114 HydrophobicContact CD2-CE2 4.37Å |
| 25 | E | 40.1 | Very low | 55.3 | Low | 140 Ų | 140 | 87.6 Ų | 87.6 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.2 | 172.5 | -68.3 | 177.1 | -175.8 | 0 | 0 | 112.2 | A22 Q23 I74 | A22-E25 WeakPolarHBondContact O-CG 3.5Å; Q23-E25 VanDerWaalsContact C-N 3.26Å; E25-I74 HydrophobicContact CG-CD1 4.36Å |
| 26 | H | 46.2 | Very low | 57.9 | Low | 130 Ų | 130 | 79.5 Ų | 79.5 | 60% | 0.602 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -86.5 | -9.8 | 175.9 | -105.5 | 69.5 | 0 | 0 | 0 | 114.4 | C13 L24 | C13-H26 PolarHBondContact SG-O 3.49Å; L24-H26 PolarHBondContact O-N 3.38Å; L24-H26 VanDerWaalsContact O-N 3.16Å |
| 27 | C | 52.4 | Low | 60.5 | Low | 18 Ų | 18 | 70.7 Ų | 70.7 | 12% | 0.122 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -78 | 125.8 | 171.4 | -66.1 | 0 | 0 | 0 | 0 | 107.9 | L24 L29 L110 | L24-C27 WeakPolarHBondContact O-CB 3.42Å; L24-C27 PolarHBondContact O-N 3.02Å; C27-L29 WeakPolarHBondContact O-CD2 3.39Å; C27-L29 PolarHBondContact O-N 3.14Å; C27-L110 HydrophobicContact CB-CD1 4.17Å |
| 28 | S | 64.7 | Low | 63 | Low | 37 Ų | 37 | 69.3 Ų | 69.3 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | trans | -45.4 | 111.7 | 175.7 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | R30 | S28-R30 PolarHBondContact O-N 2.96Š| ||
| 29 | L | 77 | Confident | 65.3 | Low | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | trans | -77.1 | 56.8 | -179.1 | -59.4 | -179 | 0 | 0 | 0 | 110.2 | C27 T70 F71 N72 I74 M77 | C27-L29 WeakPolarHBondContact O-CD2 3.39Å; C27-L29 PolarHBondContact O-N 3.14Å; L29-T70 CarbonylContact O-C 3.56Å; L29-T70 WeakPolarHBondContact O-CA 3.27Å; L29-F71 HydrophobicContact CB-CB 4.17Å; L29-F71 WeakPolarHBondContact CB-O 3.32Å; L29-F71 PolarHBondContact O-N 3.42Å; L29-N72 VanDerWaalsContact CD1-O 3.23Å; L29-N72 WeakPolarHBondContact CD1-O 3.46Å; L29-I74 HydrophobicContact CD1-CG1 3.83Å; L29-I74 HydrophobicContact CD2-CD1 4.34Å; L29-I74 HydrophobicContact CD2-CG1 3.47Å; L29-I74 VanDerWaalsContact CD2-CG1 3.47Å; L29-I74 HydrophobicContact CG-CG1 4.31Å; L29-M77 HydrophobicContact CB-SD 4.23Å; L29-M77 HydrophobicContact CD2-SD 4.36Å | ||
| 30 | R | 83.7 | Confident | 67.8 | Low | 99 Ų | 99 | 61.4 Ų | 61.4 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.3 | -170.5 | -166.6 | 174.5 | 69.3 | -172.6 | 1.6 | 110.9 | S28 L69 A104 Q107 | S28-R30 PolarHBondContact O-N 2.96Å; R30-L69 CarbonylContact C-O 3.58Å; R30-L69 VanDerWaalsContact CA-O 3.32Å; R30-L69 WeakPolarHBondContact CA-O 3.03Å; R30-A104 HydrophobicContact CB-CB 4.08Å; R30-A104 WeakPolarHBondContact O-CB 3.37Å; R30-A104 PolarHBondContact O-N 3.02Å; R30-Q107 PolarHBondContact O-OE1 2.99Å |
| 31 | V | 85.3 | Confident | 70.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.8 | 169.2 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | I33 L69 F71 M77 F80 V101 L103 | V31-I33 HydrophobicContact CG1-CG1 4.44Å; V31-L69 PolarHBondContact N-O 3.44Å; V31-L69 PolarHBondContact O-N 3.42Å; V31-F71 HydrophobicContact CB-CE2 4.03Å; V31-F71 HydrophobicContact CG2-CD2 3.94Å; V31-F71 HydrophobicContact CG2-CE2 3.54Å; V31-M77 HydrophobicContact CG2-CG 3.47Å; V31-M77 VanDerWaalsContact CG2-CG 3.47Å; V31-M77 HydrophobicContact CG2-SD 4.29Å; V31-F80 HydrophobicContact CG1-CD1 4.37Å; V31-F80 HydrophobicContact CG1-CE1 4.24Å; V31-V101 HydrophobicContact CG1-CG1 3.33Å; V31-L103 HydrophobicContact CG2-CD2 3.93Å |
| 32 | V | 84.7 | Confident | 72.2 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 111.4 | 172.7 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | R34 V67 Y68 M102 A104 | V32-R34 HydrophobicContact CG1-CG 3.73Å; V32-V67 CarbonylContact C-O 3.5Å; V32-V67 VanDerWaalsContact CA-O 3.29Å; V32-V67 WeakPolarHBondContact CA-O 3.5Å; V32-Y68 HydrophobicContact CB-CD1 4.47Å; V32-Y68 HydrophobicContact CB-CE1 4.45Å; V32-Y68 HydrophobicContact CG1-CD1 4.08Å; V32-Y68 HydrophobicContact CG1-CE1 3.8Å; V32-Y68 HydrophobicContact CG1-CE2 4.49Å; V32-Y68 HydrophobicContact CG2-CD1 3.65Å; V32-Y68 HydrophobicContact CG2-CE1 3.72Å; V32-M102 CarbonylContact C-O 3.58Å; V32-M102 WeakPolarHBondContact CA-O 3.32Å; V32-M102 PolarHBondContact N-O 3.13Å; V32-M102 CarbonylContact O-C 3.54Å; V32-M102 WeakPolarHBondContact O-CA 3.49Å; V32-M102 PolarHBondContact O-N 3.25Å; V32-A104 HydrophobicContact CG2-CB 4.4Å |
| 33 | I | 85.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.1 | 168.5 | -51.9 | 174 | 0 | 0 | 0 | 106.3 | V31 L36 F45 E66 V67 F80 V101 | V31-I33 HydrophobicContact CG1-CG1 4.44Å; I33-L36 HydrophobicContact CG2-CD2 3.95Å; I33-L36 HydrophobicContact CG2-CG 4.3Å; I33-F45 HydrophobicContact CD1-CE2 3.85Å; I33-F45 HydrophobicContact CD1-CZ 3.52Å; I33-E66 CarbonylContact O-C 3.6Å; I33-E66 VanDerWaalsContact O-CA 3.31Å; I33-E66 WeakPolarHBondContact O-CA 3.39Å; I33-V67 HydrophobicContact CB-CB 4.22Å; I33-V67 PolarHBondContact N-O 3.48Å; I33-V67 PolarHBondContact O-N 2.95Å; I33-F80 HydrophobicContact CD1-CE1 3.92Å; I33-F80 HydrophobicContact CD1-CZ 3.91Å; I33-F80 HydrophobicContact CG1-CE1 4.47Å; I33-V101 HydrophobicContact CG1-CG1 4.33Å; I33-V101 HydrophobicContact CG1-CG2 4.25Å |
| 34 | R | 83.6 | Confident | 76.8 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | trans | -124.1 | 154.6 | -174.9 | -64.5 | -170.6 | 166.2 | -149 | -15.2 | 111.4 | V32 G65 E66 F99 | V32-R34 HydrophobicContact CG1-CG 3.73Å; R34-G65 CarbonylContact C-O 3.55Å; R34-E66 HydrophobicContact CB-CG 4.41Å; R34-E66 WeakPolarHBondContact CD-OE1 3.34Å; R34-E66 HydrophobicContact CG-CG 4.11Å; R34-E66 WeakPolarHBondContact CG-OE1 3.41Å; R34-E66 IonicContact CZ-OE1 3.39Å; R34-E66 VanDerWaalsContact CZ-OE1 3.23Å; R34-E66 IonicContact NE-OE1 3.15Å; R34-E66 PolarHBondContact NE-OE1 3.23Å; R34-E66 VanDerWaalsContact NE-OE1 3.15Å; R34-E66 IonicContact NH1-OE1 3.23Å; R34-E66 IonicContact NH2-OE1 2.74Å; R34-F99 WeakPolarHBondContact O-CD1 3.35Å | ||
| 35 | R | 79.2 | Confident | 78.8 | Confident | 194 Ų | 194 | 58.2 Ų | 58.2 | 73% | 0.732 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 77.9 | 11.3 | 169.9 | -54.2 | 169.7 | 168.4 | -100.9 | -6.6 | 115.7 | G65 F99 | R35-G65 CarbonylContact C-O 3.56Å; R35-G65 PolarHBondContact N-O 3.48Å; R35-F99 HydrophobicContact CB-CD1 3.6Å; R35-F99 HydrophobicContact CB-CE1 3.39Å; R35-F99 HydrophobicContact CB-CZ 4.48Å; R35-F99 WeakPolarHBondContact O-CE1 3.45Å; R35-F99 WeakPolarHBondContact O-CZ 3.38Å |
| 36 | L | 84.4 | Confident | 81.2 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | trans | -42.9 | 155.3 | -176.7 | -69.1 | 178.8 | 0 | 0 | 0 | 114.4 | I33 A38 L40 F45 F60 G65 V67 F89 F99 | I33-L36 HydrophobicContact CG2-CD2 3.95Å; I33-L36 HydrophobicContact CG2-CG 4.3Å; L36-A38 PolarHBondContact O-N 2.91Å; L36-L40 HydrophobicContact CB-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CD2 4.39Å; L36-L40 HydrophobicContact CD2-CD2 4.27Å; L36-F45 HydrophobicContact CD1-CD2 3.81Å; L36-F45 HydrophobicContact CD1-CE2 4.03Å; L36-F45 HydrophobicContact CD2-CD2 4.3Å; L36-F45 HydrophobicContact CD2-CE2 4.32Å; L36-F60 HydrophobicContact CD1-CE2 3.76Å; L36-F60 HydrophobicContact CD1-CZ 4.36Å; L36-G65 WeakPolarHBondContact CB-O 3.22Å; L36-G65 PolarHBondContact N-O 3.35Å; L36-V67 HydrophobicContact CD1-CB 4.34Å; L36-V67 HydrophobicContact CD1-CG2 3.38Å; L36-F89 HydrophobicContact CD2-CB 4.48Å; L36-F89 HydrophobicContact CD2-CD1 4.14Å; L36-F89 HydrophobicContact CD2-CD2 4.18Å; L36-F89 HydrophobicContact CD2-CE1 4.4Å; L36-F89 HydrophobicContact CD2-CE2 4.38Å; L36-F89 HydrophobicContact CD2-CG 4Å; L36-F89 HydrophobicContact CD2-CZ 4.5Å; L36-F99 HydrophobicContact CD2-CD2 3.88Å; L36-F99 HydrophobicContact CD2-CE2 4.15Å; L36-F99 HydrophobicContact CD2-CG 4.39Å | ||
| 37 | P | 84.5 | Confident | 83.2 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | trans | -59.1 | 139.6 | 178.9 | -13 | 29.1 | 0 | 0 | 0 | 110.4 | N39 L40 F89 D91 F99 | P37-N39 VanDerWaalsContact C-N 3.32Å; P37-N39 PolarHBondContact O-N 2.91Å; P37-L40 HydrophobicContact CB-CB 4.11Å; P37-L40 HydrophobicContact CG-CB 4.21Å; P37-L40 HydrophobicContact CG-CD2 4.41Å; P37-L40 VanDerWaalsContact O-CB 3.25Å; P37-L40 WeakPolarHBondContact O-CB 3.41Å; P37-L40 PolarHBondContact O-N 2.98Å; P37-L40 VanDerWaalsContact O-N 3.07Å; P37-F89 HydrophobicContact CG-CB 4.21Å; P37-D91 HydrophobicContact CB-CB 3.74Å; P37-D91 HydrophobicContact CG-CB 4.37Å; P37-F99 VanDerWaalsContact CD-CE2 3.47Å; P37-F99 HydrophobicContact CG-CE2 3.93Å; P37-F99 HydrophobicContact CG-CZ 4.36Å | ||
| 38 | A | 83.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L36 | L36-A38 PolarHBondContact O-N 2.91Š|
| 39 | N | 84.1 | Confident | 86 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 9.9 | 175.1 | -28.6 | -94.7 | 0 | 0 | 0 | 112.2 | P37 T41 D91 K93 | P37-N39 VanDerWaalsContact C-N 3.32Å; P37-N39 PolarHBondContact O-N 2.91Å; N39-T41 PolarHBondContact O-N 3.46Å; N39-D91 WeakPolarHBondContact CA-OD2 3.18Å; N39-D91 WeakPolarHBondContact CB-OD1 3.46Å; N39-D91 WeakPolarHBondContact CB-OD2 3.28Å; N39-D91 PolarHBondContact N-OD2 2.82Å; N39-D91 PolarHBondContact ND2-OD2 3.39Å; N39-K93 PolarHBondContact OD1-NZ 3.23Å |
| 40 | L | 86.7 | Confident | 86.4 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | trans | -70.8 | 124.3 | 174 | -175.3 | 66.2 | 0 | 0 | 0 | 109.4 | L36 P37 E44 F45 M48 F60 F89 | L36-L40 HydrophobicContact CB-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CD2 4.39Å; L36-L40 HydrophobicContact CD2-CD2 4.27Å; P37-L40 HydrophobicContact CB-CB 4.11Å; P37-L40 HydrophobicContact CG-CB 4.21Å; P37-L40 HydrophobicContact CG-CD2 4.41Å; P37-L40 VanDerWaalsContact O-CB 3.25Å; P37-L40 WeakPolarHBondContact O-CB 3.41Å; P37-L40 PolarHBondContact O-N 2.98Å; P37-L40 VanDerWaalsContact O-N 3.07Å; L40-E44 HydrophobicContact CD1-CB 3.59Å; L40-F45 HydrophobicContact CD2-CB 4Å; L40-F45 HydrophobicContact CD2-CD2 4.13Å; L40-F45 HydrophobicContact CG-CB 4.31Å; L40-M48 HydrophobicContact CD1-CE 3.27Å; L40-M48 HydrophobicContact CD2-CE 3.75Å; L40-M48 HydrophobicContact CG-CE 4.14Å; L40-F60 VanDerWaalsContact O-CZ 3.29Å; L40-F60 WeakPolarHBondContact O-CZ 3.42Å; L40-F89 HydrophobicContact CD2-CD1 4.3Å | ||
| 41 | T | 90.1 | Very high | 86.5 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | trans | -84.4 | 161.4 | 176.7 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | N39 E43 E44 F45 | N39-T41 PolarHBondContact O-N 3.46Å; T41-E43 VanDerWaalsContact C-N 3.25Å; T41-E43 WeakPolarHBondContact CB-OE2 3.38Å; T41-E43 PolarHBondContact O-N 2.91Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 WeakPolarHBondContact OG1-CB 3.41Å; T41-E44 WeakPolarHBondContact OG1-CG 3.31Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.33Å; T41-F45 WeakPolarHBondContact O-CB 3.38Å; T41-F45 PolarHBondContact O-N 3.46Å | ||
| 42 | E | 90.5 | Very high | 86.5 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 177.5 | -178.1 | 173 | 166.6 | 0 | 0 | 110.7 | F45 V46 F58 F60 | E42-F45 WeakPolarHBondContact O-CB 3.31Å; E42-F45 PolarHBondContact O-N 2.91Å; E42-V46 VanDerWaalsContact O-CG2 3.24Å; E42-V46 WeakPolarHBondContact O-CG2 3.33Å; E42-V46 PolarHBondContact O-N 3.43Å; E42-F58 HydrophobicContact CG-CE1 3.74Å; E42-F58 HydrophobicContact CG-CZ 4.27Å; E42-F58 VanDerWaalsContact OE1-CE1 3.26Å; E42-F58 WeakPolarHBondContact OE1-CE1 3.39Å; E42-F60 HydrophobicContact CB-CB 4.1Å; E42-F60 HydrophobicContact CB-CD1 4.12Å; E42-F60 HydrophobicContact CB-CD2 4.3Å; E42-F60 HydrophobicContact CB-CG 3.93Å; E42-F60 HydrophobicContact CG-CB 3.81Å; E42-F60 HydrophobicContact CG-CD2 4.43Å; E42-F60 HydrophobicContact CG-CG 4.12Å |
| 43 | E | 90.4 | Very high | 86.5 | Confident | 124 Ų | 124 | 62.1 Ų | 62.1 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.5 | -45.8 | -179 | -58.2 | 78.2 | -172 | 0 | 0 | 111.7 | T41 F45 V46 Q47 | T41-E43 VanDerWaalsContact C-N 3.25Å; T41-E43 WeakPolarHBondContact CB-OE2 3.38Å; T41-E43 PolarHBondContact O-N 2.91Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.37Å; E43-V46 PolarHBondContact O-N 3.03Å; E43-Q47 VanDerWaalsContact O-CG 3.32Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.4Å |
| 44 | E | 89.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 66 Ų | 66 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 175.2 | -72.6 | 166.9 | 147.1 | 0 | 0 | 111.3 | L40 T41 Q47 M48 | L40-E44 HydrophobicContact CD1-CB 3.59Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 WeakPolarHBondContact OG1-CB 3.41Å; T41-E44 WeakPolarHBondContact OG1-CG 3.31Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.33Å; E44-Q47 PolarHBondContact O-N 3.37Å; E44-M48 WeakPolarHBondContact O-CE 3.47Å; E44-M48 WeakPolarHBondContact O-CG 3.1Å; E44-M48 PolarHBondContact O-N 2.86Å |
| 45 | F | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 174.8 | 173.4 | -88.8 | 0 | 0 | 0 | 111.2 | I33 L36 L40 T41 E42 E43 Q47 M48 V49 F58 F60 V67 F89 | I33-F45 HydrophobicContact CD1-CE2 3.85Å; I33-F45 HydrophobicContact CD1-CZ 3.52Å; L36-F45 HydrophobicContact CD1-CD2 3.81Å; L36-F45 HydrophobicContact CD1-CE2 4.03Å; L36-F45 HydrophobicContact CD2-CD2 4.3Å; L36-F45 HydrophobicContact CD2-CE2 4.32Å; L40-F45 HydrophobicContact CD2-CB 4Å; L40-F45 HydrophobicContact CD2-CD2 4.13Å; L40-F45 HydrophobicContact CG-CB 4.31Å; T41-F45 WeakPolarHBondContact O-CB 3.38Å; T41-F45 PolarHBondContact O-N 3.46Å; E42-F45 WeakPolarHBondContact O-CB 3.31Å; E42-F45 PolarHBondContact O-N 2.91Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.37Å; F45-Q47 VanDerWaalsContact C-N 3.31Å; F45-Q47 PolarHBondContact O-N 3.36Å; F45-M48 PolarHBondContact O-N 3.39Å; F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CB 4.4Å; F45-V49 HydrophobicContact CE1-CG2 4.02Å; F45-V49 HydrophobicContact CE2-CG2 3.81Å; F45-V49 HydrophobicContact CZ-CB 4.42Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CB 3.22Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.15Å; F45-V49 PolarHBondContact O-N 2.89Å; F45-F58 HydrophobicContact CD1-CE2 4.05Å; F45-F58 AromaticContact CD1-CZ 3.77Å; F45-F58 HydrophobicContact CD1-CZ 3.77Å; F45-F58 AromaticContact CE1-CE2 3.63Å; F45-F58 HydrophobicContact CE1-CE2 3.63Å; F45-F58 AromaticContact CE1-CZ 3.85Å; F45-F58 HydrophobicContact CE1-CZ 3.85Å; F45-F60 HydrophobicContact CB-CD2 4.36Å; F45-F60 HydrophobicContact CB-CE2 3.9Å; F45-F60 HydrophobicContact CD1-CD2 4.47Å; F45-F60 HydrophobicContact CD2-CE2 4.48Å; F45-F60 HydrophobicContact CG-CD2 4.34Å; F45-F60 HydrophobicContact CG-CE2 4.08Å; F45-V67 HydrophobicContact CD1-CG2 4.5Å; F45-V67 HydrophobicContact CD2-CG2 4.44Å; F45-V67 HydrophobicContact CE1-CG1 4.01Å; F45-V67 HydrophobicContact CE1-CG2 4.36Å; F45-V67 HydrophobicContact CE2-CG2 4.27Å; F45-V67 HydrophobicContact CZ-CB 4.38Å; F45-V67 HydrophobicContact CZ-CG1 4.03Å; F45-V67 HydrophobicContact CZ-CG2 4.25Å; F45-F89 HydrophobicContact CD2-CD1 4.12Å; F45-F89 AromaticContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CE2-CD1 4.32Å; F45-F89 AromaticContact CE2-CE1 3.49Å; F45-F89 HydrophobicContact CE2-CE1 3.49Å; F45-F89 VanDerWaalsContact CE2-CE1 3.49Å; F45-F89 AromaticContact CE2-CZ 3.91Å; F45-F89 HydrophobicContact CE2-CZ 3.91Å |
| 46 | V | 90.5 | Very high | 86.9 | Confident | 51 Ų | 51 | 63 Ų | 63 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 178.6 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | E42 E43 V49 S50 L52 F58 | E42-V46 VanDerWaalsContact O-CG2 3.24Å; E42-V46 WeakPolarHBondContact O-CG2 3.33Å; E42-V46 PolarHBondContact O-N 3.43Å; E43-V46 PolarHBondContact O-N 3.03Å; V46-V49 PolarHBondContact O-N 2.64Å; V46-S50 WeakPolarHBondContact O-CB 3.17Å; V46-S50 PolarHBondContact O-N 3.36Å; V46-L52 HydrophobicContact CB-CD1 4.29Å; V46-L52 HydrophobicContact CG1-CD1 3.84Å; V46-L52 HydrophobicContact CG2-CD1 3.95Å; V46-F58 HydrophobicContact CG2-CE1 4.11Å; V46-F58 HydrophobicContact CG2-CZ 4.03Å |
| 47 | Q | 88.7 | Confident | 87.2 | Confident | 147 Ų | 147 | 67 Ų | 67 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 175.8 | -75.4 | 177.1 | 6.2 | 0 | 0 | 112.4 | E43 E44 F45 V49 S50 | E43-Q47 VanDerWaalsContact O-CG 3.32Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.4Å; E44-Q47 PolarHBondContact O-N 3.37Å; F45-Q47 VanDerWaalsContact C-N 3.31Å; F45-Q47 PolarHBondContact O-N 3.36Å; Q47-V49 VanDerWaalsContact C-N 3.28Å; Q47-V49 PolarHBondContact O-N 3.19Å; Q47-S50 WeakPolarHBondContact O-CB 3.43Å; Q47-S50 PolarHBondContact O-N 2.92Å |
| 48 | M | 87.4 | Confident | 87.5 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 29% | 0.286 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.6 | -31 | 178.5 | -75.4 | -173.1 | -75.8 | 0 | 0 | 113.2 | L40 E44 F45 F89 | L40-M48 HydrophobicContact CD1-CE 3.27Å; L40-M48 HydrophobicContact CD2-CE 3.75Å; L40-M48 HydrophobicContact CG-CE 4.14Å; E44-M48 WeakPolarHBondContact O-CE 3.47Å; E44-M48 WeakPolarHBondContact O-CG 3.1Å; E44-M48 PolarHBondContact O-N 2.86Å; F45-M48 PolarHBondContact O-N 3.39Å; M48-F89 HydrophobicContact CE-CB 4.43Å; M48-F89 HydrophobicContact CE-CD1 3.75Å; M48-F89 HydrophobicContact SD-CD1 4.09Å |
| 49 | V | 87.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -93.4 | -1.6 | -176.6 | 178.8 | 0 | 0 | 0 | 0 | 112 | F45 V46 Q47 P51 L52 F80 F84 F89 | F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CB 4.4Å; F45-V49 HydrophobicContact CE1-CG2 4.02Å; F45-V49 HydrophobicContact CE2-CG2 3.81Å; F45-V49 HydrophobicContact CZ-CB 4.42Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CB 3.22Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.15Å; F45-V49 PolarHBondContact O-N 2.89Å; V46-V49 PolarHBondContact O-N 2.64Å; Q47-V49 VanDerWaalsContact C-N 3.28Å; Q47-V49 PolarHBondContact O-N 3.19Å; V49-P51 CarbonylContact O-C 3.51Å; V49-L52 HydrophobicContact CG1-CD2 3.63Å; V49-L52 HydrophobicContact CG1-CG 4.09Å; V49-F80 HydrophobicContact CG1-CD2 4.47Å; V49-F80 HydrophobicContact CG1-CE2 3.35Å; V49-F80 HydrophobicContact CG1-CZ 3.81Å; V49-F84 HydrophobicContact CB-CE1 4.16Å; V49-F84 HydrophobicContact CB-CZ 4.06Å; V49-F84 HydrophobicContact CG1-CD2 4.33Å; V49-F84 HydrophobicContact CG1-CE1 4.05Å; V49-F84 HydrophobicContact CG1-CE2 3.75Å; V49-F84 HydrophobicContact CG1-CZ 3.59Å; V49-F84 HydrophobicContact CG2-CD1 4.34Å; V49-F84 HydrophobicContact CG2-CE1 4Å; V49-F84 HydrophobicContact CG2-CZ 4.37Å; V49-F84 WeakPolarHBondContact O-CZ 3.33Å; V49-F89 HydrophobicContact CG2-CE1 3.74Å; V49-F89 HydrophobicContact CG2-CZ 4.14Å |
| 50 | S | 85 | Confident | 88.2 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 134 | -178.5 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | V46 Q47 | V46-S50 WeakPolarHBondContact O-CB 3.17Å; V46-S50 PolarHBondContact O-N 3.36Å; Q47-S50 WeakPolarHBondContact O-CB 3.43Å; Q47-S50 PolarHBondContact O-N 2.92Å |
| 51 | P | 86.1 | Confident | 88.3 | Confident | 113 Ų | 113 | 71 Ų | 71 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | S | Bend | cis | -82.4 | 129.2 | 3 | 31.4 | -32.8 | 0 | 0 | 0 | 112.8 | V49 P53 | V49-P51 CarbonylContact O-C 3.51Å; P51-P53 WeakPolarHBondContact O-CD 3.45Å |
| 52 | L | 85.3 | Confident | 87.8 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 125.7 | 170.9 | -88.9 | 163.5 | 0 | 0 | 0 | 109.8 | V46 V49 L69 F80 | V46-L52 HydrophobicContact CB-CD1 4.29Å; V46-L52 HydrophobicContact CG1-CD1 3.84Å; V46-L52 HydrophobicContact CG2-CD1 3.95Å; V49-L52 HydrophobicContact CG1-CD2 3.63Å; V49-L52 HydrophobicContact CG1-CG 4.09Å; L52-L69 HydrophobicContact CD2-CD2 4.08Å; L52-F80 HydrophobicContact CD2-CE2 4.09Å |
| 53 | P | 84.1 | Confident | 87.2 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 162.2 | 175 | -17.9 | 29.5 | 0 | 0 | 0 | 112.1 | P51 H55 F71 D76 F80 | P51-P53 WeakPolarHBondContact O-CD 3.45Å; P53-H55 PolarHBondContact O-N 3.33Å; P53-H55 PolarHBondContact O-ND1 3.04Å; P53-F71 HydrophobicContact CB-CD1 4.38Å; P53-F71 HydrophobicContact CB-CE1 3.92Å; P53-F71 HydrophobicContact CG-CE1 4Å; P53-D76 HydrophobicContact CB-CB 4Å; P53-F80 HydrophobicContact CG-CB 4.41Å; P53-F80 HydrophobicContact CG-CD2 4.09Å |
| 54 | P | 84.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 72.2 Ų | 72.2 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 120.8 | 174.7 | -24.7 | 34.5 | 0 | 0 | 0 | 111.9 | ||
| 55 | H | 88 | Confident | 86.1 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.3 | -176.8 | 56.8 | -87.5 | 0 | 0 | 0 | 111.1 | P53 L69 T70 | P53-H55 PolarHBondContact O-N 3.33Å; P53-H55 PolarHBondContact O-ND1 3.04Å; H55-L69 HydrophobicContact CB-CD1 3.4Å; H55-L69 VanDerWaalsContact CB-CD1 3.4Å; H55-L69 HydrophobicContact CB-CG 4.4Å; H55-L69 VanDerWaalsContact CG-CD1 3.44Å; H55-T70 CarbonylContact C-O 3.34Å; H55-T70 WeakPolarHBondContact CA-O 3.34Å; H55-T70 WeakPolarHBondContact CB-O 3.41Å |
| 56 | R | 85.2 | Confident | 85.9 | Confident | 165 Ų | 165 | 70.9 Ų | 70.9 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -49.7 | 178.2 | -172.1 | 175.6 | 178.1 | 170.9 | 1 | 111.5 | T70 N72 | R56-T70 HydrophobicContact CB-CG2 4.32Å; R56-T70 PolarHBondContact N-O 2.98Å; R56-N72 WeakPolarHBondContact CB-OD1 3.36Å |
| 57 | D | 88.9 | Confident | 85.8 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 136.3 | -175.5 | -66.2 | -49.9 | 0 | 0 | 0 | 109.7 | T70 | D57-T70 PolarHBondContact N-O 2.93Å; D57-T70 PolarHBondContact O-N 3.33Å |
| 58 | F | 91.3 | Very high | 85.8 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.8 | 172 | 173.4 | -104.4 | 0 | 0 | 0 | 109 | E42 F45 V46 F60 V67 Y68 L69 | E42-F58 HydrophobicContact CG-CE1 3.74Å; E42-F58 HydrophobicContact CG-CZ 4.27Å; E42-F58 VanDerWaalsContact OE1-CE1 3.26Å; E42-F58 WeakPolarHBondContact OE1-CE1 3.39Å; F45-F58 HydrophobicContact CD1-CE2 4.05Å; F45-F58 AromaticContact CD1-CZ 3.77Å; F45-F58 HydrophobicContact CD1-CZ 3.77Å; F45-F58 AromaticContact CE1-CE2 3.63Å; F45-F58 HydrophobicContact CE1-CE2 3.63Å; F45-F58 AromaticContact CE1-CZ 3.85Å; F45-F58 HydrophobicContact CE1-CZ 3.85Å; V46-F58 HydrophobicContact CG2-CE1 4.11Å; V46-F58 HydrophobicContact CG2-CZ 4.03Å; F58-F60 HydrophobicContact CE1-CB 4.4Å; F58-F60 HydrophobicContact CZ-CB 4.42Å; F58-V67 HydrophobicContact CD2-CG1 3.97Å; F58-V67 HydrophobicContact CE2-CG1 3.36Å; F58-V67 HydrophobicContact CZ-CG1 4.13Å; F58-Y68 WeakPolarHBondContact CA-O 3.05Å; F58-L69 HydrophobicContact CB-CD1 4.13Å; F58-L69 HydrophobicContact CD2-CD1 4.02Å |
| 59 | K | 91.1 | Very high | 85.9 | Confident | 137 Ų | 137 | 61.7 Ų | 61.7 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 116.9 | 177.9 | -179.3 | 177.7 | -177.5 | 176 | 0 | 110.5 | V61 V67 Y68 | K59-V61 HydrophobicContact CG-CG2 4.3Å; K59-V67 WeakPolarHBondContact O-CA 3.48Å; K59-Y68 PolarHBondContact N-O 2.9Å; K59-Y68 PolarHBondContact O-N 2.76Å |
| 60 | F | 90.8 | Very high | 85.9 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.6 | 172 | -167.1 | -91.3 | 0 | 0 | 0 | 110.5 | L36 L40 E42 F45 F58 P62 V67 | L36-F60 HydrophobicContact CD1-CE2 3.76Å; L36-F60 HydrophobicContact CD1-CZ 4.36Å; L40-F60 VanDerWaalsContact O-CZ 3.29Å; L40-F60 WeakPolarHBondContact O-CZ 3.42Å; E42-F60 HydrophobicContact CB-CB 4.1Å; E42-F60 HydrophobicContact CB-CD1 4.12Å; E42-F60 HydrophobicContact CB-CD2 4.3Å; E42-F60 HydrophobicContact CB-CG 3.93Å; E42-F60 HydrophobicContact CG-CB 3.81Å; E42-F60 HydrophobicContact CG-CD2 4.43Å; E42-F60 HydrophobicContact CG-CG 4.12Å; F45-F60 HydrophobicContact CB-CD2 4.36Å; F45-F60 HydrophobicContact CB-CE2 3.9Å; F45-F60 HydrophobicContact CD1-CD2 4.47Å; F45-F60 HydrophobicContact CD2-CE2 4.48Å; F45-F60 HydrophobicContact CG-CD2 4.34Å; F45-F60 HydrophobicContact CG-CE2 4.08Å; F58-F60 HydrophobicContact CE1-CB 4.4Å; F58-F60 HydrophobicContact CZ-CB 4.42Å; F60-P62 HydrophobicContact CD1-CB 4.36Å; F60-P62 HydrophobicContact CE1-CB 3.94Å; F60-V67 HydrophobicContact CD2-CG2 3.24Å; F60-V67 HydrophobicContact CE2-CG2 3.6Å; F60-V67 HydrophobicContact CG-CG2 4.14Å |
| 61 | V | 88.7 | Confident | 85.9 | Confident | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 97.2 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | K59 A63 D64 G65 E66 Y68 | K59-V61 HydrophobicContact CG-CG2 4.3Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 2.95Å; V61-D64 HydrophobicContact CG1-CB 4.35Å; V61-G65 PolarHBondContact O-N 3.23Å; V61-G65 VanDerWaalsContact O-N 3.17Å; V61-E66 WeakPolarHBondContact CA-O 3.43Å; V61-E66 HydrophobicContact CB-CB 4.47Å; V61-E66 WeakPolarHBondContact CB-O 3.45Å; V61-E66 PolarHBondContact N-O 3.41Å; V61-E66 PolarHBondContact O-N 3.49Å; V61-Y68 HydrophobicContact CG2-CD2 4.01Å; V61-Y68 HydrophobicContact CG2-CE2 3.97Å |
| 62 | P | 80.2 | Confident | 85.8 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -34.5 | -176.7 | 23.4 | -30.8 | 0 | 0 | 0 | 112.5 | F60 D64 G65 | F60-P62 HydrophobicContact CD1-CB 4.36Å; F60-P62 HydrophobicContact CE1-CB 3.94Å; P62-D64 VanDerWaalsContact C-N 3.34Å; P62-D64 PolarHBondContact O-N 2.91Å; P62-G65 PolarHBondContact O-N 3.06Å |
| 63 | A | 78.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 75% | 0.752 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -40.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V61 | V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 2.95Å |
| 64 | D | 76 | Confident | 85.1 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -4.8 | -178.9 | -64.9 | -45.7 | 0 | 0 | 0 | 112.8 | V61 P62 E66 | V61-D64 HydrophobicContact CG1-CB 4.35Å; P62-D64 VanDerWaalsContact C-N 3.34Å; P62-D64 PolarHBondContact O-N 2.91Å; D64-E66 VanDerWaalsContact C-N 3.28Å; D64-E66 HydrophobicContact CB-CB 4.31Å; D64-E66 HydrophobicContact CB-CG 3.79Å; D64-E66 PolarHBondContact O-N 2.84Å |
| 65 | G | 80.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 42.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R34 R35 L36 V61 P62 | R34-G65 CarbonylContact C-O 3.55Å; R35-G65 CarbonylContact C-O 3.56Å; R35-G65 PolarHBondContact N-O 3.48Å; L36-G65 WeakPolarHBondContact CB-O 3.22Å; L36-G65 PolarHBondContact N-O 3.35Å; V61-G65 PolarHBondContact O-N 3.23Å; V61-G65 VanDerWaalsContact O-N 3.17Å; P62-G65 PolarHBondContact O-N 3.06Å |
| 66 | E | 84.7 | Confident | 84.4 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.7 | -178.6 | -64.8 | -166.1 | 151 | 0 | 0 | 111.2 | I33 R34 V61 D64 Y68 | I33-E66 CarbonylContact O-C 3.6Å; I33-E66 VanDerWaalsContact O-CA 3.31Å; I33-E66 WeakPolarHBondContact O-CA 3.39Å; R34-E66 HydrophobicContact CB-CG 4.41Å; R34-E66 WeakPolarHBondContact CD-OE1 3.34Å; R34-E66 HydrophobicContact CG-CG 4.11Å; R34-E66 WeakPolarHBondContact CG-OE1 3.41Å; R34-E66 IonicContact CZ-OE1 3.39Å; R34-E66 VanDerWaalsContact CZ-OE1 3.23Å; R34-E66 IonicContact NE-OE1 3.15Å; R34-E66 PolarHBondContact NE-OE1 3.23Å; R34-E66 VanDerWaalsContact NE-OE1 3.15Å; R34-E66 IonicContact NH1-OE1 3.23Å; R34-E66 IonicContact NH2-OE1 2.74Å; V61-E66 WeakPolarHBondContact CA-O 3.43Å; V61-E66 HydrophobicContact CB-CB 4.47Å; V61-E66 WeakPolarHBondContact CB-O 3.45Å; V61-E66 PolarHBondContact N-O 3.41Å; V61-E66 PolarHBondContact O-N 3.49Å; D64-E66 VanDerWaalsContact C-N 3.28Å; D64-E66 HydrophobicContact CB-CB 4.31Å; D64-E66 HydrophobicContact CB-CG 3.79Å; D64-E66 PolarHBondContact O-N 2.84Å; E66-Y68 HydrophobicContact CB-CE2 3.89Å; E66-Y68 PolarHBondContact OE2-OH 3.35Å |
| 67 | V | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.4 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 108.9 | V32 I33 L36 F45 F58 K59 F60 | V32-V67 CarbonylContact C-O 3.5Å; V32-V67 VanDerWaalsContact CA-O 3.29Å; V32-V67 WeakPolarHBondContact CA-O 3.5Å; I33-V67 HydrophobicContact CB-CB 4.22Å; I33-V67 PolarHBondContact N-O 3.48Å; I33-V67 PolarHBondContact O-N 2.95Å; L36-V67 HydrophobicContact CD1-CB 4.34Å; L36-V67 HydrophobicContact CD1-CG2 3.38Å; F45-V67 HydrophobicContact CD1-CG2 4.5Å; F45-V67 HydrophobicContact CD2-CG2 4.44Å; F45-V67 HydrophobicContact CE1-CG1 4.01Å; F45-V67 HydrophobicContact CE1-CG2 4.36Å; F45-V67 HydrophobicContact CE2-CG2 4.27Å; F45-V67 HydrophobicContact CZ-CB 4.38Å; F45-V67 HydrophobicContact CZ-CG1 4.03Å; F45-V67 HydrophobicContact CZ-CG2 4.25Å; F58-V67 HydrophobicContact CD2-CG1 3.97Å; F58-V67 HydrophobicContact CE2-CG1 3.36Å; F58-V67 HydrophobicContact CZ-CG1 4.13Å; K59-V67 WeakPolarHBondContact O-CA 3.48Å; F60-V67 HydrophobicContact CD2-CG2 3.24Å; F60-V67 HydrophobicContact CE2-CG2 3.6Å; F60-V67 HydrophobicContact CG-CG2 4.14Å |
| 68 | Y | 88.6 | Confident | 83.6 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.5 | 176.6 | -65.4 | -94.6 | 0 | 0 | 0 | 108.3 | V32 F58 K59 V61 E66 | V32-Y68 HydrophobicContact CB-CD1 4.47Å; V32-Y68 HydrophobicContact CB-CE1 4.45Å; V32-Y68 HydrophobicContact CG1-CD1 4.08Å; V32-Y68 HydrophobicContact CG1-CE1 3.8Å; V32-Y68 HydrophobicContact CG1-CE2 4.49Å; V32-Y68 HydrophobicContact CG2-CD1 3.65Å; V32-Y68 HydrophobicContact CG2-CE1 3.72Å; F58-Y68 WeakPolarHBondContact CA-O 3.05Å; K59-Y68 PolarHBondContact N-O 2.9Å; K59-Y68 PolarHBondContact O-N 2.76Å; V61-Y68 HydrophobicContact CG2-CD2 4.01Å; V61-Y68 HydrophobicContact CG2-CE2 3.97Å; E66-Y68 HydrophobicContact CB-CE2 3.89Å; E66-Y68 PolarHBondContact OE2-OH 3.35Å |
| 69 | L | 89.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.1 | 178.9 | -178.6 | 54.8 | 0 | 0 | 0 | 108.9 | R30 V31 L52 H55 F58 F71 F80 | R30-L69 CarbonylContact C-O 3.58Å; R30-L69 VanDerWaalsContact CA-O 3.32Å; R30-L69 WeakPolarHBondContact CA-O 3.03Å; V31-L69 PolarHBondContact N-O 3.44Å; V31-L69 PolarHBondContact O-N 3.42Å; L52-L69 HydrophobicContact CD2-CD2 4.08Å; H55-L69 HydrophobicContact CB-CD1 3.4Å; H55-L69 VanDerWaalsContact CB-CD1 3.4Å; H55-L69 HydrophobicContact CB-CG 4.4Å; H55-L69 VanDerWaalsContact CG-CD1 3.44Å; F58-L69 HydrophobicContact CB-CD1 4.13Å; F58-L69 HydrophobicContact CD2-CD1 4.02Å; L69-F71 HydrophobicContact CB-CE2 4.27Å; L69-F71 HydrophobicContact CD2-CE1 3.98Å; L69-F71 HydrophobicContact CD2-CE2 3.61Å; L69-F71 HydrophobicContact CD2-CZ 3.21Å; L69-F71 HydrophobicContact CG-CD2 4.21Å; L69-F71 HydrophobicContact CG-CE1 4.32Å; L69-F71 HydrophobicContact CG-CE2 3.56Å; L69-F71 HydrophobicContact CG-CZ 3.63Å; L69-F80 HydrophobicContact CD2-CD2 4.4Å; L69-F80 HydrophobicContact CD2-CE1 4.05Å; L69-F80 HydrophobicContact CD2-CE2 3.89Å; L69-F80 HydrophobicContact CD2-CZ 3.72Å |
| 70 | T | 86.8 | Confident | 82.8 | Confident | 23 Ų | 23 | 47 Ų | 47 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 108.9 | L29 H55 R56 D57 | L29-T70 CarbonylContact O-C 3.56Å; L29-T70 WeakPolarHBondContact O-CA 3.27Å; H55-T70 CarbonylContact C-O 3.34Å; H55-T70 WeakPolarHBondContact CA-O 3.34Å; H55-T70 WeakPolarHBondContact CB-O 3.41Å; R56-T70 HydrophobicContact CB-CG2 4.32Å; R56-T70 PolarHBondContact N-O 2.98Å; D57-T70 PolarHBondContact N-O 2.93Å; D57-T70 PolarHBondContact O-N 3.33Å |
| 71 | F | 85.5 | Confident | 82.3 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 159.1 | -179.1 | -68 | -90.1 | 0 | 0 | 0 | 112.1 | L29 V31 P53 L69 D76 M77 F80 | L29-F71 HydrophobicContact CB-CB 4.17Å; L29-F71 WeakPolarHBondContact CB-O 3.32Å; L29-F71 PolarHBondContact O-N 3.42Å; V31-F71 HydrophobicContact CB-CE2 4.03Å; V31-F71 HydrophobicContact CG2-CD2 3.94Å; V31-F71 HydrophobicContact CG2-CE2 3.54Å; P53-F71 HydrophobicContact CB-CD1 4.38Å; P53-F71 HydrophobicContact CB-CE1 3.92Å; P53-F71 HydrophobicContact CG-CE1 4Å; L69-F71 HydrophobicContact CB-CE2 4.27Å; L69-F71 HydrophobicContact CD2-CE1 3.98Å; L69-F71 HydrophobicContact CD2-CE2 3.61Å; L69-F71 HydrophobicContact CD2-CZ 3.21Å; L69-F71 HydrophobicContact CG-CD2 4.21Å; L69-F71 HydrophobicContact CG-CE1 4.32Å; L69-F71 HydrophobicContact CG-CE2 3.56Å; L69-F71 HydrophobicContact CG-CZ 3.63Å; F71-D76 HydrophobicContact CD1-CB 4.09Å; F71-M77 HydrophobicContact CB-CB 3.94Å; F71-M77 HydrophobicContact CD1-CB 4.48Å; F71-M77 HydrophobicContact CD2-CB 3.68Å; F71-M77 HydrophobicContact CD2-CG 3.6Å; F71-M77 HydrophobicContact CE2-CB 4.31Å; F71-M77 HydrophobicContact CE2-CG 4.09Å; F71-M77 HydrophobicContact CG-CB 3.76Å; F71-M77 HydrophobicContact CG-CG 4.21Å; F71-F80 HydrophobicContact CE1-CB 4.06Å; F71-F80 HydrophobicContact CE1-CD2 4.35Å; F71-F80 HydrophobicContact CE1-CG 4.19Å; F71-F80 HydrophobicContact CE2-CB 4.4Å; F71-F80 HydrophobicContact CE2-CD1 4.12Å; F71-F80 HydrophobicContact CE2-CG 4.26Å; F71-F80 HydrophobicContact CZ-CB 3.6Å; F71-F80 AromaticContact CZ-CD1 3.7Å; F71-F80 HydrophobicContact CZ-CD1 3.7Å; F71-F80 AromaticContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CE1 4.32Å; F71-F80 HydrophobicContact CZ-CE2 4.39Å; F71-F80 AromaticContact CZ-CG 3.42Å; F71-F80 HydrophobicContact CZ-CG 3.42Å; F71-F80 VanDerWaalsContact CZ-CG 3.42Å |
| 72 | N | 84.2 | Confident | 81.8 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -82.5 | -41.5 | 168.6 | -64.3 | -37.2 | 0 | 0 | 0 | 110.8 | L29 R56 | L29-N72 VanDerWaalsContact CD1-O 3.23Å; L29-N72 WeakPolarHBondContact CD1-O 3.46Å; R56-N72 WeakPolarHBondContact CB-OD1 3.36Å |
| 73 | D | 78.9 | Confident | 82 | Confident | 92 Ų | 92 | 54.1 Ų | 54.1 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | trans | -113 | 144.2 | -174.3 | -67.8 | -59.3 | 0 | 0 | 0 | 112.8 | E75 D76 M77 | D73-E75 VanDerWaalsContact C-N 3.34Å; D73-D76 HydrophobicContact CB-CB 4.47Å; D73-M77 PolarHBondContact O-N 3.23Å | ||
| 74 | I | 76.5 | Confident | 82.1 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.4 | -36 | 179.6 | -65.6 | 166.3 | 0 | 0 | 0 | 110.6 | F21 L24 E25 L29 M77 I78 | F21-I74 HydrophobicContact CE2-CG2 4.08Å; F21-I74 HydrophobicContact CZ-CB 4.44Å; F21-I74 HydrophobicContact CZ-CD1 4.33Å; F21-I74 HydrophobicContact CZ-CG2 3.92Å; L24-I74 HydrophobicContact CB-CD1 4Å; E25-I74 HydrophobicContact CG-CD1 4.36Å; L29-I74 HydrophobicContact CD1-CG1 3.83Å; L29-I74 HydrophobicContact CD2-CD1 4.34Å; L29-I74 HydrophobicContact CD2-CG1 3.47Å; L29-I74 VanDerWaalsContact CD2-CG1 3.47Å; L29-I74 HydrophobicContact CG-CG1 4.31Å; I74-M77 WeakPolarHBondContact O-CB 3.48Å; I74-M77 PolarHBondContact O-N 3.06Å; I74-I78 HydrophobicContact CG2-CD1 3.73Å; I74-I78 HydrophobicContact CG2-CG1 4.31Å; I74-I78 VanDerWaalsContact O-CG1 3.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 2.95Å |
| 75 | E | 76.7 | Confident | 82.2 | Confident | 151 Ų | 151 | 49.3 Ų | 49.3 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.3 | -47.3 | -177.5 | -61.8 | -169.1 | 167.2 | 0 | 0 | 111.2 | D73 M77 I78 A79 | D73-E75 VanDerWaalsContact C-N 3.34Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 2.94Å; E75-I78 PolarHBondContact O-N 3.49Å; E75-I78 VanDerWaalsContact O-N 3.16Å; E75-A79 WeakPolarHBondContact O-CB 3.47Å; E75-A79 PolarHBondContact O-N 3.2Å |
| 76 | D | 80.1 | Confident | 81.8 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 175.6 | -72.2 | -16.6 | 0 | 0 | 0 | 112 | P53 F71 D73 I78 A79 F80 | P53-D76 HydrophobicContact CB-CB 4Å; F71-D76 HydrophobicContact CD1-CB 4.09Å; D73-D76 HydrophobicContact CB-CB 4.47Å; D76-I78 VanDerWaalsContact C-N 3.34Å; D76-I78 PolarHBondContact O-N 3.26Å; D76-A79 PolarHBondContact O-N 2.99Å; D76-F80 WeakPolarHBondContact O-CB 3.39Å; D76-F80 PolarHBondContact O-N 3.38Å |
| 77 | M | 81.2 | Confident | 81.6 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 176 | -174.6 | -154.4 | 68.8 | 0 | 0 | 112.1 | L29 V31 F71 D73 I74 E75 R81 L103 Q107 | L29-M77 HydrophobicContact CB-SD 4.23Å; L29-M77 HydrophobicContact CD2-SD 4.36Å; V31-M77 HydrophobicContact CG2-CG 3.47Å; V31-M77 VanDerWaalsContact CG2-CG 3.47Å; V31-M77 HydrophobicContact CG2-SD 4.29Å; F71-M77 HydrophobicContact CB-CB 3.94Å; F71-M77 HydrophobicContact CD1-CB 4.48Å; F71-M77 HydrophobicContact CD2-CB 3.68Å; F71-M77 HydrophobicContact CD2-CG 3.6Å; F71-M77 HydrophobicContact CE2-CB 4.31Å; F71-M77 HydrophobicContact CE2-CG 4.09Å; F71-M77 HydrophobicContact CG-CB 3.76Å; F71-M77 HydrophobicContact CG-CG 4.21Å; D73-M77 PolarHBondContact O-N 3.23Å; I74-M77 WeakPolarHBondContact O-CB 3.48Å; I74-M77 PolarHBondContact O-N 3.06Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 2.94Å; M77-R81 WeakPolarHBondContact O-CB 3.21Å; M77-R81 PolarHBondContact O-N 3.49Å; M77-L103 HydrophobicContact CE-CD2 4.26Å; M77-L103 HydrophobicContact SD-CD2 4.25Å; M77-Q107 PolarHBondContact SD-NE2 3.15Å; M77-Q107 PolarHBondContact SD-OE1 2.97Å |
| 78 | I | 77.5 | Confident | 81.2 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 33% | 0.333 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 177.6 | -69.3 | 168.6 | 0 | 0 | 0 | 110 | I74 E75 D76 F80 R81 D82 | I74-I78 HydrophobicContact CG2-CD1 3.73Å; I74-I78 HydrophobicContact CG2-CG1 4.31Å; I74-I78 VanDerWaalsContact O-CG1 3.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 2.95Å; E75-I78 PolarHBondContact O-N 3.49Å; E75-I78 VanDerWaalsContact O-N 3.16Å; D76-I78 VanDerWaalsContact C-N 3.34Å; D76-I78 PolarHBondContact O-N 3.26Å; I78-F80 PolarHBondContact O-N 2.68Å; I78-R81 PolarHBondContact O-N 3.04Å; I78-D82 WeakPolarHBondContact O-CB 3.43Å; I78-D82 PolarHBondContact O-N 3.41Å |
| 79 | A | 79.6 | Confident | 81 | Confident | 46 Ų | 46 | 53 Ų | 53 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | E75 D76 R81 D82 I83 | E75-A79 WeakPolarHBondContact O-CB 3.47Å; E75-A79 PolarHBondContact O-N 3.2Å; D76-A79 PolarHBondContact O-N 2.99Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.1Å; A79-D82 PolarHBondContact O-N 3.01Å; A79-I83 WeakPolarHBondContact O-CB 3.32Å; A79-I83 WeakPolarHBondContact O-CD1 3.4Å; A79-I83 WeakPolarHBondContact O-CG1 3.5Å; A79-I83 PolarHBondContact O-N 2.76Å |
| 80 | F | 85.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.5 | -49.4 | 175.4 | -177.5 | -92.3 | 0 | 0 | 0 | 111.7 | V31 I33 V49 L52 P53 L69 F71 D76 I78 D82 I83 F84 | V31-F80 HydrophobicContact CG1-CD1 4.37Å; V31-F80 HydrophobicContact CG1-CE1 4.24Å; I33-F80 HydrophobicContact CD1-CE1 3.92Å; I33-F80 HydrophobicContact CD1-CZ 3.91Å; I33-F80 HydrophobicContact CG1-CE1 4.47Å; V49-F80 HydrophobicContact CG1-CD2 4.47Å; V49-F80 HydrophobicContact CG1-CE2 3.35Å; V49-F80 HydrophobicContact CG1-CZ 3.81Å; L52-F80 HydrophobicContact CD2-CE2 4.09Å; P53-F80 HydrophobicContact CG-CB 4.41Å; P53-F80 HydrophobicContact CG-CD2 4.09Å; L69-F80 HydrophobicContact CD2-CD2 4.4Å; L69-F80 HydrophobicContact CD2-CE1 4.05Å; L69-F80 HydrophobicContact CD2-CE2 3.89Å; L69-F80 HydrophobicContact CD2-CZ 3.72Å; F71-F80 HydrophobicContact CE1-CB 4.06Å; F71-F80 HydrophobicContact CE1-CD2 4.35Å; F71-F80 HydrophobicContact CE1-CG 4.19Å; F71-F80 HydrophobicContact CE2-CB 4.4Å; F71-F80 HydrophobicContact CE2-CD1 4.12Å; F71-F80 HydrophobicContact CE2-CG 4.26Å; F71-F80 HydrophobicContact CZ-CB 3.6Å; F71-F80 AromaticContact CZ-CD1 3.7Å; F71-F80 HydrophobicContact CZ-CD1 3.7Å; F71-F80 AromaticContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CE1 4.32Å; F71-F80 HydrophobicContact CZ-CE2 4.39Å; F71-F80 AromaticContact CZ-CG 3.42Å; F71-F80 HydrophobicContact CZ-CG 3.42Å; F71-F80 VanDerWaalsContact CZ-CG 3.42Å; D76-F80 WeakPolarHBondContact O-CB 3.39Å; D76-F80 PolarHBondContact O-N 3.38Å; I78-F80 PolarHBondContact O-N 2.68Å; F80-D82 PolarHBondContact O-N 2.94Å; F80-I83 PolarHBondContact O-N 3.47Å; F80-F84 HydrophobicContact CD1-CD2 4.21Å; F80-F84 AromaticContact CD2-CD2 3.49Å; F80-F84 HydrophobicContact CD2-CD2 3.49Å; F80-F84 VanDerWaalsContact CD2-CD2 3.49Å; F80-F84 AromaticContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CE1-CD2 4.17Å; F80-F84 AromaticContact CE2-CD2 3.47Å; F80-F84 HydrophobicContact CE2-CD2 3.47Å; F80-F84 VanDerWaalsContact CE2-CD2 3.47Å; F80-F84 AromaticContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CG 4.44Å; F80-F84 AromaticContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CE2 4.35Å; F80-F84 AromaticContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CE2 4.29Å; F80-F84 HydrophobicContact CZ-CG 4.43Å; F80-F84 WeakPolarHBondContact O-CB 3.18Å; F80-F84 VanDerWaalsContact O-CD2 3.23Å; F80-F84 WeakPolarHBondContact O-CD2 3.3Å; F80-F84 PolarHBondContact O-N 3.2Å |
| 81 | R | 81.2 | Confident | 80.5 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 25% | 0.249 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 178.2 | -177.4 | -157.7 | -179.9 | -160.9 | -5.1 | 111.1 | M77 I78 A79 I83 F84 N85 V101 L103 | M77-R81 WeakPolarHBondContact O-CB 3.21Å; M77-R81 PolarHBondContact O-N 3.49Å; I78-R81 PolarHBondContact O-N 3.04Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.1Å; R81-I83 VanDerWaalsContact C-N 3.3Å; R81-I83 PolarHBondContact O-N 3.13Å; R81-F84 PolarHBondContact O-N 3.46Å; R81-N85 WeakPolarHBondContact O-CA 3.31Å; R81-N85 WeakPolarHBondContact O-CB 3.24Å; R81-N85 PolarHBondContact O-N 3.1Å; R81-V101 HydrophobicContact CG-CG1 4.21Å; R81-L103 HydrophobicContact CG-CD2 4.33Å |
| 82 | D | 77.9 | Confident | 80.2 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 57% | 0.572 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69 | -30.9 | -174 | -73.1 | -10.6 | 0 | 0 | 0 | 112.3 | I78 A79 F80 | I78-D82 WeakPolarHBondContact O-CB 3.43Å; I78-D82 PolarHBondContact O-N 3.41Å; A79-D82 PolarHBondContact O-N 3.01Å; F80-D82 PolarHBondContact O-N 2.94Å |
| 83 | I | 82.7 | Confident | 80 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -74 | -48.2 | 175.5 | -66.2 | 164.3 | 0 | 0 | 0 | 111.2 | A79 F80 R81 | A79-I83 WeakPolarHBondContact O-CB 3.32Å; A79-I83 WeakPolarHBondContact O-CD1 3.4Å; A79-I83 WeakPolarHBondContact O-CG1 3.5Å; A79-I83 PolarHBondContact O-N 2.76Å; F80-I83 PolarHBondContact O-N 3.47Å; R81-I83 VanDerWaalsContact C-N 3.3Å; R81-I83 PolarHBondContact O-N 3.13Å |
| 84 | F | 82.7 | Confident | 79.6 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -91.7 | -10.2 | -171.6 | -67.8 | -70.9 | 0 | 0 | 0 | 114.2 | V49 F80 R81 G86 H87 V101 | V49-F84 HydrophobicContact CB-CE1 4.16Å; V49-F84 HydrophobicContact CB-CZ 4.06Å; V49-F84 HydrophobicContact CG1-CD2 4.33Å; V49-F84 HydrophobicContact CG1-CE1 4.05Å; V49-F84 HydrophobicContact CG1-CE2 3.75Å; V49-F84 HydrophobicContact CG1-CZ 3.59Å; V49-F84 HydrophobicContact CG2-CD1 4.34Å; V49-F84 HydrophobicContact CG2-CE1 4Å; V49-F84 HydrophobicContact CG2-CZ 4.37Å; V49-F84 WeakPolarHBondContact O-CZ 3.33Å; F80-F84 HydrophobicContact CD1-CD2 4.21Å; F80-F84 AromaticContact CD2-CD2 3.49Å; F80-F84 HydrophobicContact CD2-CD2 3.49Å; F80-F84 VanDerWaalsContact CD2-CD2 3.49Å; F80-F84 AromaticContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CE1-CD2 4.17Å; F80-F84 AromaticContact CE2-CD2 3.47Å; F80-F84 HydrophobicContact CE2-CD2 3.47Å; F80-F84 VanDerWaalsContact CE2-CD2 3.47Å; F80-F84 AromaticContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CG 4.44Å; F80-F84 AromaticContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CE2 4.35Å; F80-F84 AromaticContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CE2 4.29Å; F80-F84 HydrophobicContact CZ-CG 4.43Å; F80-F84 WeakPolarHBondContact O-CB 3.18Å; F80-F84 VanDerWaalsContact O-CD2 3.23Å; F80-F84 WeakPolarHBondContact O-CD2 3.3Å; F80-F84 PolarHBondContact O-N 3.2Å; R81-F84 PolarHBondContact O-N 3.46Å; F84-G86 PolarHBondContact O-N 3.43Å; F84-G86 VanDerWaalsContact O-N 3.07Å; F84-H87 HydrophobicContact CB-CB 4.49Å; F84-H87 HydrophobicContact CD1-CB 4.24Å; F84-H87 VanDerWaalsContact O-CB 3.24Å; F84-H87 WeakPolarHBondContact O-CB 3.43Å; F84-H87 PolarHBondContact O-N 2.97Å; F84-V101 HydrophobicContact CB-CG2 3.86Å; F84-V101 WeakPolarHBondContact O-CG2 3.4Å |
| 85 | N | 77.5 | Confident | 79.5 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 109 | 176.6 | -177.8 | 23 | 0 | 0 | 0 | 110.8 | R81 V101 | R81-N85 WeakPolarHBondContact O-CA 3.31Å; R81-N85 WeakPolarHBondContact O-CB 3.24Å; R81-N85 PolarHBondContact O-N 3.1Å; N85-V101 HydrophobicContact CB-CB 4.36Å |
| 86 | G | 72.5 | Confident | 79.2 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | 7.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F84 F99 | F84-G86 PolarHBondContact O-N 3.43Å; F84-G86 VanDerWaalsContact O-N 3.07Å; G86-F99 PolarHBondContact N-O 2.68Å |
| 87 | H | 80.3 | Confident | 78.3 | Confident | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | trans | -65.6 | 143.4 | 171 | -166.2 | 78.7 | 0 | 0 | 0 | 111 | F84 F89 | F84-H87 HydrophobicContact CB-CB 4.49Å; F84-H87 HydrophobicContact CD1-CB 4.24Å; F84-H87 VanDerWaalsContact O-CB 3.24Å; F84-H87 WeakPolarHBondContact O-CB 3.43Å; F84-H87 PolarHBondContact O-N 2.97Å; H87-F89 HydrophobicContact CB-CE2 4.08Å; H87-F89 AromaticContact CD2-CD2 3.99Å; H87-F89 AromaticContact CD2-CE2 3.85Å; H87-F89 AromaticContact CD2-CZ 3.96Å | ||
| 88 | V | 80.9 | Confident | 77.2 | Confident | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.8 | -179.4 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | L96 L98 | V88-L96 HydrophobicContact CG1-CB 4.28Å; V88-L96 HydrophobicContact CG1-CD2 4.18Å; V88-L98 HydrophobicContact CG2-CD2 3.6Å; V88-L98 HydrophobicContact CG2-CG 4.07Å |
| 89 | F | 83.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.8 | 177 | -66 | -101 | 0 | 0 | 0 | 109.1 | L36 P37 L40 F45 M48 V49 H87 F99 | L36-F89 HydrophobicContact CD2-CB 4.48Å; L36-F89 HydrophobicContact CD2-CD1 4.14Å; L36-F89 HydrophobicContact CD2-CD2 4.18Å; L36-F89 HydrophobicContact CD2-CE1 4.4Å; L36-F89 HydrophobicContact CD2-CE2 4.38Å; L36-F89 HydrophobicContact CD2-CG 4Å; L36-F89 HydrophobicContact CD2-CZ 4.5Å; P37-F89 HydrophobicContact CG-CB 4.21Å; L40-F89 HydrophobicContact CD2-CD1 4.3Å; F45-F89 HydrophobicContact CD2-CD1 4.12Å; F45-F89 AromaticContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CE2-CD1 4.32Å; F45-F89 AromaticContact CE2-CE1 3.49Å; F45-F89 HydrophobicContact CE2-CE1 3.49Å; F45-F89 VanDerWaalsContact CE2-CE1 3.49Å; F45-F89 AromaticContact CE2-CZ 3.91Å; F45-F89 HydrophobicContact CE2-CZ 3.91Å; M48-F89 HydrophobicContact CE-CB 4.43Å; M48-F89 HydrophobicContact CE-CD1 3.75Å; M48-F89 HydrophobicContact SD-CD1 4.09Å; V49-F89 HydrophobicContact CG2-CE1 3.74Å; V49-F89 HydrophobicContact CG2-CZ 4.14Å; H87-F89 HydrophobicContact CB-CE2 4.08Å; H87-F89 AromaticContact CD2-CD2 3.99Å; H87-F89 AromaticContact CD2-CE2 3.85Å; H87-F89 AromaticContact CD2-CZ 3.96Å; F89-F99 HydrophobicContact CB-CD2 3.98Å; F89-F99 HydrophobicContact CB-CE2 4.04Å; F89-F99 HydrophobicContact CD2-CB 4.28Å; F89-F99 AromaticContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CE2 4.47Å; F89-F99 HydrophobicContact CD2-CG 4.4Å; F89-F99 HydrophobicContact CE2-CB 4.4Å; F89-F99 HydrophobicContact CE2-CD2 4.42Å; F89-F99 HydrophobicContact CG-CD2 4.09Å |
| 90 | V | 83.3 | Confident | 75.8 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 42% | 0.418 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.2 | -177 | -169.6 | 0 | 0 | 0 | 0 | 108.7 | L96 | V90-L96 HydrophobicContact CB-CD2 4Å; V90-L96 HydrophobicContact CG1-CD2 3.72Å; V90-L96 HydrophobicContact CG2-CD2 3.37Å |
| 91 | D | 83.4 | Confident | 75 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.032 | 37% | 0.368 | C | S | . | . | trans | -85.9 | 158.9 | 173.6 | -164.8 | -12.6 | 0 | 0 | 0 | 110.8 | P37 N39 K93 G94 K95 | P37-D91 HydrophobicContact CB-CB 3.74Å; P37-D91 HydrophobicContact CG-CB 4.37Å; N39-D91 WeakPolarHBondContact CA-OD2 3.18Å; N39-D91 WeakPolarHBondContact CB-OD1 3.46Å; N39-D91 WeakPolarHBondContact CB-OD2 3.28Å; N39-D91 PolarHBondContact N-OD2 2.82Å; N39-D91 PolarHBondContact ND2-OD2 3.39Å; D91-K93 PolarHBondContact O-N 3.39Å; D91-K93 VanDerWaalsContact O-N 3.09Å; D91-G94 WeakPolarHBondContact O-CA 3.33Å; D91-G94 PolarHBondContact O-N 3.42Å; D91-K95 HydrophobicContact CB-CB 4.39Å; D91-K95 PolarHBondContact N-O 2.86Å | ||
| 92 | S | 78.7 | Confident | 74.2 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 62% | 0.622 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -31.9 | 170 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | G94 | S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 2.74Å |
| 93 | K | 79.8 | Confident | 73.6 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 67% | 0.67 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 4.2 | 176.2 | -61.9 | -175.4 | -173.4 | 163.3 | 0 | 114.4 | N39 D91 K95 | N39-K93 PolarHBondContact OD1-NZ 3.23Å; D91-K93 PolarHBondContact O-N 3.39Å; D91-K93 VanDerWaalsContact O-N 3.09Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 3.21Å |
| 94 | G | 70.9 | Confident | 72.6 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | trans | 75.5 | 13.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | D91 S92 L96 | D91-G94 WeakPolarHBondContact O-CA 3.33Å; D91-G94 PolarHBondContact O-N 3.42Å; S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 2.74Å; G94-L96 PolarHBondContact O-N 2.82Å | ||
| 95 | K | 74.8 | Confident | 71.1 | Confident | 120 Ų | 120 | 62.2 Ų | 62.2 | 52% | 0.522 | 35% | 0.351 | S | S | . | . | trans | -73.8 | 115 | 176.1 | -171.7 | 176.1 | -179.8 | -180 | 0 | 109.5 | D91 K93 | D91-K95 HydrophobicContact CB-CB 4.39Å; D91-K95 PolarHBondContact N-O 2.86Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 3.21Å | ||
| 96 | L | 69.8 | Low | 69.7 | Low | 113 Ų | 113 | 61 Ų | 61 | 59% | 0.592 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129 | 175.1 | -56.8 | 178.7 | 0 | 0 | 0 | 109.8 | V88 V90 G94 | V88-L96 HydrophobicContact CG1-CB 4.28Å; V88-L96 HydrophobicContact CG1-CD2 4.18Å; V90-L96 HydrophobicContact CB-CD2 4Å; V90-L96 HydrophobicContact CG1-CD2 3.72Å; V90-L96 HydrophobicContact CG2-CD2 3.37Å; G94-L96 PolarHBondContact O-N 2.82Å |
| 97 | T | 62.2 | Low | 68.6 | Low | 38 Ų | 38 | 59.6 Ų | 59.6 | 23% | 0.233 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.9 | 174.4 | 24.5 | 0 | 0 | 0 | 0 | 109.8 | F99 | T97-F99 VanDerWaalsContact CB-CE2 3.46Å; T97-F99 HydrophobicContact CG2-CE1 4.38Å; T97-F99 HydrophobicContact CG2-CZ 4Å; T97-F99 VanDerWaalsContact O-CD2 3.24Å; T97-F99 WeakPolarHBondContact O-CD2 3.39Å; T97-F99 VanDerWaalsContact O-CE2 3.26Å; T97-F99 WeakPolarHBondContact O-CE2 3.48Å; T97-F99 WeakPolarHBondContact OG1-CE2 3.4Å; T97-F99 WeakPolarHBondContact OG1-CZ 3.45Å |
| 98 | L | 58 | Low | 67.1 | Low | 133 Ų | 133 | 59.8 Ų | 59.8 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.2 | 177.5 | -84.4 | 152.4 | 0 | 0 | 0 | 109.3 | V88 | V88-L98 HydrophobicContact CG2-CD2 3.6Å; V88-L98 HydrophobicContact CG2-CG 4.07Å |
| 99 | F | 65.2 | Low | 65.3 | Low | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | trans | -114.3 | 124.1 | -175.4 | -65.3 | -55 | 0 | 0 | 0 | 114.1 | R34 R35 L36 P37 G86 F89 T97 V101 | R34-F99 WeakPolarHBondContact O-CD1 3.35Å; R35-F99 HydrophobicContact CB-CD1 3.6Å; R35-F99 HydrophobicContact CB-CE1 3.39Å; R35-F99 HydrophobicContact CB-CZ 4.48Å; R35-F99 WeakPolarHBondContact O-CE1 3.45Å; R35-F99 WeakPolarHBondContact O-CZ 3.38Å; L36-F99 HydrophobicContact CD2-CD2 3.88Å; L36-F99 HydrophobicContact CD2-CE2 4.15Å; L36-F99 HydrophobicContact CD2-CG 4.39Å; P37-F99 VanDerWaalsContact CD-CE2 3.47Å; P37-F99 HydrophobicContact CG-CE2 3.93Å; P37-F99 HydrophobicContact CG-CZ 4.36Å; G86-F99 PolarHBondContact N-O 2.68Å; F89-F99 HydrophobicContact CB-CD2 3.98Å; F89-F99 HydrophobicContact CB-CE2 4.04Å; F89-F99 HydrophobicContact CD2-CB 4.28Å; F89-F99 AromaticContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CE2 4.47Å; F89-F99 HydrophobicContact CD2-CG 4.4Å; F89-F99 HydrophobicContact CE2-CB 4.4Å; F89-F99 HydrophobicContact CE2-CD2 4.42Å; F89-F99 HydrophobicContact CG-CD2 4.09Å; T97-F99 VanDerWaalsContact CB-CE2 3.46Å; T97-F99 HydrophobicContact CG2-CE1 4.38Å; T97-F99 HydrophobicContact CG2-CZ 4Å; T97-F99 VanDerWaalsContact O-CD2 3.24Å; T97-F99 WeakPolarHBondContact O-CD2 3.39Å; T97-F99 VanDerWaalsContact O-CE2 3.26Å; T97-F99 WeakPolarHBondContact O-CE2 3.48Å; T97-F99 WeakPolarHBondContact OG1-CE2 3.4Å; T97-F99 WeakPolarHBondContact OG1-CZ 3.45Å; F99-V101 PolarHBondContact O-N 3.49Å | ||
| 100 | P | 62.2 | Low | 63.4 | Low | 45 Ų | 45 | 62.5 Ų | 62.5 | 29% | 0.292 | 35% | 0.348 | S | S | . | . | trans | -78 | 122.4 | 168.8 | 30.9 | -30.5 | 0 | 0 | 0 | 109.4 | M102 | P100-M102 HydrophobicContact CB-CE 3.86Å; P100-M102 HydrophobicContact CG-CE 3.89Å; P100-M102 PolarHBondContact O-N 2.75Å | ||
| 101 | V | 67.9 | Low | 61.5 | Low | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 111.8 | 166.6 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | V31 I33 R81 F84 N85 F99 | V31-V101 HydrophobicContact CG1-CG1 3.33Å; I33-V101 HydrophobicContact CG1-CG1 4.33Å; I33-V101 HydrophobicContact CG1-CG2 4.25Å; R81-V101 HydrophobicContact CG-CG1 4.21Å; F84-V101 HydrophobicContact CB-CG2 3.86Å; F84-V101 WeakPolarHBondContact O-CG2 3.4Å; N85-V101 HydrophobicContact CB-CB 4.36Å; F99-V101 PolarHBondContact O-N 3.49Å |
| 102 | M | 64.3 | Low | 59.5 | Low | 91 Ų | 91 | 65.3 Ų | 65.3 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.1 | -179.2 | -68.7 | -69 | -174.5 | 0 | 0 | 109.4 | V32 P100 | V32-M102 CarbonylContact C-O 3.58Å; V32-M102 WeakPolarHBondContact CA-O 3.32Å; V32-M102 PolarHBondContact N-O 3.13Å; V32-M102 CarbonylContact O-C 3.54Å; V32-M102 WeakPolarHBondContact O-CA 3.49Å; V32-M102 PolarHBondContact O-N 3.25Å; P100-M102 HydrophobicContact CB-CE 3.86Å; P100-M102 HydrophobicContact CG-CE 3.89Å; P100-M102 PolarHBondContact O-N 2.75Å |
| 103 | L | 65.2 | Low | 57.7 | Low | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 144.6 | 167.9 | -64.7 | 174.1 | 0 | 0 | 0 | 109.5 | V31 M77 R81 Q107 | V31-L103 HydrophobicContact CG2-CD2 3.93Å; M77-L103 HydrophobicContact CE-CD2 4.26Å; M77-L103 HydrophobicContact SD-CD2 4.25Å; R81-L103 HydrophobicContact CG-CD2 4.33Å; L103-Q107 HydrophobicContact CB-CB 3.84Å; L103-Q107 HydrophobicContact CD1-CB 4.25Å |
| 104 | A | 62.7 | Low | 55.8 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 151.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | R30 V32 C106 Q107 | R30-A104 HydrophobicContact CB-CB 4.08Å; R30-A104 WeakPolarHBondContact O-CB 3.37Å; R30-A104 PolarHBondContact O-N 3.02Å; V32-A104 HydrophobicContact CG2-CB 4.4Å; A104-C106 PolarHBondContact O-N 3.45Å; A104-Q107 WeakPolarHBondContact O-CB 3.36Å; A104-Q107 PolarHBondContact O-N 2.87Å |
| 105 | L | 51.2 | Low | 54.4 | Low | 112 Ų | 112 | 64.1 Ų | 64.1 | 59% | 0.586 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -44.8 | -36.7 | -175.9 | -92.8 | 131.1 | 0 | 0 | 0 | 114.1 | Q107 I108 Y148 | L105-Q107 PolarHBondContact O-N 3.34Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-Y148 WeakPolarHBondContact CD2-OH 3.3Å |
| 106 | C | 47.4 | Very low | 52.9 | Low | 58 Ų | 58 | 62.9 Ų | 62.9 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.1 | -28.9 | 178.7 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | A104 L110 | A104-C106 PolarHBondContact O-N 3.45Å; C106-L110 WeakPolarHBondContact O-CG 3.42Å |
| 107 | Q | 49.9 | Very low | 51.5 | Low | 13 Ų | 13 | 59.5 Ų | 59.5 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.6 | -30.4 | -176.8 | -60.8 | -167.5 | -48 | 0 | 0 | 113.6 | R30 M77 L103 A104 L105 V109 L110 Q111 | R30-Q107 PolarHBondContact O-OE1 2.99Å; M77-Q107 PolarHBondContact SD-NE2 3.15Å; M77-Q107 PolarHBondContact SD-OE1 2.97Å; L103-Q107 HydrophobicContact CB-CB 3.84Å; L103-Q107 HydrophobicContact CD1-CB 4.25Å; A104-Q107 WeakPolarHBondContact O-CB 3.36Å; A104-Q107 PolarHBondContact O-N 2.87Å; L105-Q107 PolarHBondContact O-N 3.34Å; Q107-V109 PolarHBondContact O-N 3.26Å; Q107-L110 WeakPolarHBondContact O-CB 3.48Å; Q107-L110 PolarHBondContact O-N 3.48Å; Q107-L110 VanDerWaalsContact O-N 3.09Å; Q107-Q111 PolarHBondContact O-N 3.48Å |
| 108 | I | 47.9 | Very low | 50.4 | Low | 72 Ų | 72 | 67 Ų | 67 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 173.4 | -62.9 | 163.8 | 0 | 0 | 0 | 110 | L105 T112 | L105-I108 PolarHBondContact O-N 2.87Å; I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 VanDerWaalsContact O-CG2 3.3Å; I108-T112 WeakPolarHBondContact O-CG2 3.38Å; I108-T112 PolarHBondContact O-N 2.89Å; I108-T112 PolarHBondContact O-OG1 3.42Å |
| 109 | V | 44.2 | Very low | 49.6 | Very low | 72 Ų | 72 | 64 Ų | 64 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70 | -34.2 | 176.6 | -175 | 0 | 0 | 0 | 0 | 111.8 | Q107 T112 R113 | Q107-V109 PolarHBondContact O-N 3.26Å; V109-T112 VanDerWaalsContact CA-OG1 3.32Å; V109-T112 WeakPolarHBondContact CA-OG1 3.46Å; V109-T112 PolarHBondContact O-OG1 3.35Å; V109-R113 WeakPolarHBondContact O-CG 3.38Å; V109-R113 PolarHBondContact O-N 2.91Å; V109-R113 VanDerWaalsContact O-N 3.17Å |
| 110 | L | 43.3 | Very low | 48.6 | Very low | 43 Ų | 43 | 65.6 Ų | 65.6 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.9 | -49 | 176.5 | -69.8 | 166.2 | 0 | 0 | 0 | 111.4 | L24 C27 C106 Q107 T112 R113 F114 | L24-L110 HydrophobicContact CD2-CD1 3.64Å; L24-L110 HydrophobicContact CD2-CD2 3.53Å; L24-L110 HydrophobicContact CD2-CG 4.11Å; C27-L110 HydrophobicContact CB-CD1 4.17Å; C106-L110 WeakPolarHBondContact O-CG 3.42Å; Q107-L110 WeakPolarHBondContact O-CB 3.48Å; Q107-L110 PolarHBondContact O-N 3.48Å; Q107-L110 VanDerWaalsContact O-N 3.09Å; L110-T112 PolarHBondContact O-N 2.96Å; L110-R113 PolarHBondContact O-N 3.47Å; L110-R113 VanDerWaalsContact O-N 3.15Å; L110-F114 HydrophobicContact CB-CE2 4.47Å; L110-F114 WeakPolarHBondContact O-CD2 2.88Å; L110-F114 PolarHBondContact O-N 3.33Å |
| 111 | Q | 43.8 | Very low | 47.5 | Very low | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.9 | -76.2 | -97.2 | -33.9 | 0 | 0 | 111.9 | Q107 R113 F114 A115 | Q107-Q111 PolarHBondContact O-N 3.48Å; Q111-R113 VanDerWaalsContact C-N 3.33Å; Q111-R113 PolarHBondContact O-N 3.22Å; Q111-F114 PolarHBondContact O-N 3.46Å; Q111-A115 VanDerWaalsContact O-CB 3.27Å; Q111-A115 WeakPolarHBondContact O-CB 3.27Å; Q111-A115 PolarHBondContact O-N 2.87Å |
| 112 | T | 41.3 | Very low | 46.3 | Very low | 30 Ų | 30 | 77.6 Ų | 77.6 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.4 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | I108 V109 L110 F114 A115 Y116 V155 | I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 VanDerWaalsContact O-CG2 3.3Å; I108-T112 WeakPolarHBondContact O-CG2 3.38Å; I108-T112 PolarHBondContact O-N 2.89Å; I108-T112 PolarHBondContact O-OG1 3.42Å; V109-T112 VanDerWaalsContact CA-OG1 3.32Å; V109-T112 WeakPolarHBondContact CA-OG1 3.46Å; V109-T112 PolarHBondContact O-OG1 3.35Å; L110-T112 PolarHBondContact O-N 2.96Å; T112-F114 PolarHBondContact O-N 2.94Å; T112-A115 PolarHBondContact O-N 2.89Å; T112-Y116 WeakPolarHBondContact O-CB 2.72Å; T112-Y116 WeakPolarHBondContact O-CD2 3.35Å; T112-Y116 PolarHBondContact O-N 3.39Å; T112-V155 HydrophobicContact CG2-CG1 4.37Å; T112-V155 HydrophobicContact CG2-CG2 3.54Å |
| 113 | R | 39.5 | Very low | 45 | Very low | 140 Ų | 140 | 79.3 Ų | 79.3 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 174.8 | -73.8 | -177.5 | 76.7 | 131.8 | 0.8 | 113.7 | N18 V109 L110 Q111 Y116 A117 | N18-R113 PolarHBondContact OD1-NH2 3Å; V109-R113 WeakPolarHBondContact O-CG 3.38Å; V109-R113 PolarHBondContact O-N 2.91Å; V109-R113 VanDerWaalsContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 3.47Å; L110-R113 VanDerWaalsContact O-N 3.15Å; Q111-R113 VanDerWaalsContact C-N 3.33Å; Q111-R113 PolarHBondContact O-N 3.22Å; R113-Y116 CarbonylContact O-C 3.51Å; R113-Y116 PolarHBondContact O-N 3.07Å; R113-A117 VanDerWaalsContact O-CB 3.3Å; R113-A117 WeakPolarHBondContact O-CB 3.25Å; R113-A117 PolarHBondContact O-N 3.4Å |
| 114 | F | 40.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 83.9 Ų | 83.9 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 176.4 | -74.8 | -68.9 | 0 | 0 | 0 | 112.6 | L24 L110 Q111 T112 A117 R118 | L24-F114 HydrophobicContact CD1-CE2 3.81Å; L24-F114 HydrophobicContact CD1-CZ 4.09Å; L24-F114 HydrophobicContact CD2-CE2 4.37Å; L110-F114 HydrophobicContact CB-CE2 4.47Å; L110-F114 WeakPolarHBondContact O-CD2 2.88Å; L110-F114 PolarHBondContact O-N 3.33Å; Q111-F114 PolarHBondContact O-N 3.46Å; T112-F114 PolarHBondContact O-N 2.94Å; F114-A117 PolarHBondContact O-N 3.49Å; F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.33Å; F114-R118 PolarHBondContact O-N 3Å |
| 115 | A | 41.8 | Very low | 42.8 | Very low | 35 Ų | 35 | 87 Ų | 87 | 29% | 0.289 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q111 T112 A117 R118 L119 | Q111-A115 VanDerWaalsContact O-CB 3.27Å; Q111-A115 WeakPolarHBondContact O-CB 3.27Å; Q111-A115 PolarHBondContact O-N 2.87Å; T112-A115 PolarHBondContact O-N 2.89Å; A115-A117 PolarHBondContact O-N 2.97Å; A115-R118 PolarHBondContact O-N 3.42Å; A115-L119 VanDerWaalsContact O-CB 3.28Å; A115-L119 WeakPolarHBondContact O-CB 3.38Å; A115-L119 WeakPolarHBondContact O-CG 3.41Å; A115-L119 PolarHBondContact O-N 3.43Å |
| 116 | Y | 43.1 | Very low | 42.2 | Very low | 95 Ų | 95 | 85.6 Ų | 85.6 | 37% | 0.373 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 172.5 | -75.6 | -68.3 | 0 | 0 | 0 | 113.1 | T112 R113 L119 A120 F154 | T112-Y116 WeakPolarHBondContact O-CB 2.72Å; T112-Y116 WeakPolarHBondContact O-CD2 3.35Å; T112-Y116 PolarHBondContact O-N 3.39Å; R113-Y116 CarbonylContact O-C 3.51Å; R113-Y116 PolarHBondContact O-N 3.07Å; Y116-L119 CarbonylContact O-C 3.57Å; Y116-A120 WeakPolarHBondContact O-CA 3.38Å; Y116-A120 WeakPolarHBondContact O-CB 3.35Å; Y116-A120 PolarHBondContact O-N 3.14Å; Y116-F154 HydrophobicContact CE1-CD1 4.3Å; Y116-F154 AromaticContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CZ 4.14Å; Y116-F154 AromaticContact CZ-CD1 3.79Å; Y116-F154 AromaticContact CZ-CE1 3.57Å; Y116-F154 WeakPolarHBondContact OH-CD1 2.85Å; Y116-F154 WeakPolarHBondContact OH-CE1 3.32Å; Y116-F154 WeakPolarHBondContact OH-CG 3.43Å |
| 117 | A | 40 | Very low | 41.4 | Very low | 41 Ų | 41 | 89.8 Ų | 89.8 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.6 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R113 F114 A115 A120 R121 | R113-A117 VanDerWaalsContact O-CB 3.3Å; R113-A117 WeakPolarHBondContact O-CB 3.25Å; R113-A117 PolarHBondContact O-N 3.4Å; F114-A117 PolarHBondContact O-N 3.49Å; A115-A117 PolarHBondContact O-N 2.97Å; A117-A120 PolarHBondContact O-N 2.86Å; A117-R121 WeakPolarHBondContact O-CB 3.19Å; A117-R121 WeakPolarHBondContact O-CG 3.37Å; A117-R121 PolarHBondContact O-N 2.65Å |
| 118 | R | 39.3 | Very low | 40.8 | Very low | 195 Ų | 195 | 94.6 Ų | 94.6 | 74% | 0.736 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.5 | -43.3 | 173.5 | -160.6 | 171 | 178.9 | 144.8 | -0.9 | 110.6 | F114 A115 R121 I122 | F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.33Å; F114-R118 PolarHBondContact O-N 3Å; A115-R118 PolarHBondContact O-N 3.42Å; R118-R121 PolarHBondContact O-N 3.11Å; R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 2.95Å |
| 119 | L | 42 | Very low | 40.3 | Very low | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.366 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 171.4 | -70.5 | 171.5 | 0 | 0 | 0 | 112.1 | A115 Y116 I122 F123 | A115-L119 VanDerWaalsContact O-CB 3.28Å; A115-L119 WeakPolarHBondContact O-CB 3.38Å; A115-L119 WeakPolarHBondContact O-CG 3.41Å; A115-L119 PolarHBondContact O-N 3.43Å; Y116-L119 CarbonylContact O-C 3.57Å; L119-I122 CarbonylContact O-C 3.53Å; L119-I122 PolarHBondContact O-N 2.97Å; L119-F123 VanDerWaalsContact O-CB 3.27Å; L119-F123 WeakPolarHBondContact O-CB 3.45Å; L119-F123 PolarHBondContact O-N 3.49Å |
| 120 | A | 44 | Very low | 40.1 | Very low | 42 Ų | 42 | 101.8 Ų | 101.8 | 35% | 0.347 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.8 | -34.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y116 A117 F123 I124 | Y116-A120 WeakPolarHBondContact O-CA 3.38Å; Y116-A120 WeakPolarHBondContact O-CB 3.35Å; Y116-A120 PolarHBondContact O-N 3.14Å; A117-A120 PolarHBondContact O-N 2.86Å; A120-F123 CarbonylContact O-C 3.52Å; A120-F123 PolarHBondContact O-N 3.43Å; A120-I124 WeakPolarHBondContact O-CB 3.48Å; A120-I124 WeakPolarHBondContact O-CG1 3.09Å; A120-I124 PolarHBondContact O-N 2.92Å |
| 121 | R | 39.6 | Very low | 39.7 | Very low | 201 Ų | 201 | 106.5 Ų | 106.5 | 76% | 0.758 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 169.7 | -82.5 | -175.5 | 171.1 | 131.3 | -2.6 | 111.5 | A117 R118 F123 S125 | A117-R121 WeakPolarHBondContact O-CB 3.19Å; A117-R121 WeakPolarHBondContact O-CG 3.37Å; A117-R121 PolarHBondContact O-N 2.65Å; R118-R121 PolarHBondContact O-N 3.11Å; R121-F123 VanDerWaalsContact C-N 3.31Å; R121-F123 PolarHBondContact O-N 3.42Å; R121-S125 WeakPolarHBondContact O-CB 3.48Å; R121-S125 PolarHBondContact O-N 3.26Å |
| 122 | I | 41.2 | Very low | 39.1 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 171.4 | -65.3 | 164.9 | 0 | 0 | 0 | 109.9 | R118 L119 S125 V126 | R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 2.95Å; L119-I122 CarbonylContact O-C 3.53Å; L119-I122 PolarHBondContact O-N 2.97Å; I122-S125 PolarHBondContact O-N 3.41Å; I122-V126 HydrophobicContact CG2-CG2 4.37Å; I122-V126 WeakPolarHBondContact O-CB 3.32Å; I122-V126 WeakPolarHBondContact O-CG2 3.45Å; I122-V126 PolarHBondContact O-N 3.15Å |
| 123 | F | 37.2 | Very low | 38.8 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 56% | 0.557 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.4 | -37.9 | -178 | -156.1 | -100.4 | 0 | 0 | 0 | 113 | L119 A120 R121 V126 R127 | L119-F123 VanDerWaalsContact O-CB 3.27Å; L119-F123 WeakPolarHBondContact O-CB 3.45Å; L119-F123 PolarHBondContact O-N 3.49Å; A120-F123 CarbonylContact O-C 3.52Å; A120-F123 PolarHBondContact O-N 3.43Å; R121-F123 VanDerWaalsContact C-N 3.31Å; R121-F123 PolarHBondContact O-N 3.42Å; F123-V126 PolarHBondContact O-N 3.17Å; F123-R127 WeakPolarHBondContact O-CB 3.43Å; F123-R127 PolarHBondContact O-N 3.44Å |
| 124 | I | 42.1 | Very low | 38.3 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 56% | 0.564 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.3 | -36.8 | 174.4 | -66.9 | 163.9 | 0 | 0 | 0 | 110.4 | A120 R127 T128 | A120-I124 WeakPolarHBondContact O-CB 3.48Å; A120-I124 WeakPolarHBondContact O-CG1 3.09Å; A120-I124 PolarHBondContact O-N 2.92Å; I124-R127 PolarHBondContact O-N 2.88Å; I124-T128 PolarHBondContact O-N 3.4Å; I124-T128 PolarHBondContact O-OG1 2.79Å |
| 125 | S | 39.3 | Very low | 37.8 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.2 | -36.5 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | R121 I122 T128 | R121-S125 WeakPolarHBondContact O-CB 3.48Å; R121-S125 PolarHBondContact O-N 3.26Å; I122-S125 PolarHBondContact O-N 3.41Å; S125-T128 PolarHBondContact O-OG1 3.44Å |
| 126 | V | 39.3 | Very low | 37.1 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.4 | -30.2 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | I122 F123 L129 K130 | I122-V126 HydrophobicContact CG2-CG2 4.37Å; I122-V126 WeakPolarHBondContact O-CB 3.32Å; I122-V126 WeakPolarHBondContact O-CG2 3.45Å; I122-V126 PolarHBondContact O-N 3.15Å; F123-V126 PolarHBondContact O-N 3.17Å; V126-L129 PolarHBondContact O-N 3.38Å; V126-K130 PolarHBondContact O-N 2.9Å |
| 127 | R | 30.1 | Very low | 36.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 55% | 0.551 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -84.5 | -26.7 | -177.4 | -160.2 | 173.1 | -164.4 | 170.8 | 4.2 | 113.9 | F123 I124 L129 K130 | F123-R127 WeakPolarHBondContact O-CB 3.43Å; F123-R127 PolarHBondContact O-N 3.44Å; I124-R127 PolarHBondContact O-N 2.88Å; R127-L129 PolarHBondContact O-N 2.89Å; R127-K130 CarbonylContact O-C 3.44Å; R127-K130 PolarHBondContact O-N 2.84Å |
| 128 | T | 37.3 | Very low | 36.2 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.9 | -19.8 | 168.2 | 39.4 | 0 | 0 | 0 | 0 | 112.3 | I124 S125 | I124-T128 PolarHBondContact O-N 3.4Å; I124-T128 PolarHBondContact O-OG1 2.79Å; S125-T128 PolarHBondContact O-OG1 3.44Å |
| 129 | L | 38.8 | Very low | 35.8 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -91.1 | -14 | 174.9 | -74 | 165.3 | 0 | 0 | 0 | 114 | V126 R127 | V126-L129 PolarHBondContact O-N 3.38Å; R127-L129 PolarHBondContact O-N 2.89Å |
| 130 | K | 39.9 | Very low | 35.1 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -137.6 | 102.2 | -179.6 | -73 | -173.8 | 179 | -178.1 | 0 | 111.6 | V126 R127 | V126-K130 PolarHBondContact O-N 2.9Å; R127-K130 CarbonylContact O-C 3.44Å; R127-K130 PolarHBondContact O-N 2.84Å |
| 131 | N | 33.1 | Very low | 34.6 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | 95.3 | 96 | 152.8 | -54.9 | -11.3 | 0 | 0 | 0 | 116.4 | ||||
| 132 | H | 32.8 | Very low | 33.9 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 94% | 0.935 | 70% | 0.697 | S | S | * | * | S | Bend | -38.6 | 128.7 | 129.4 | -71.5 | -100.4 | 0 | 0 | 0 | 110.2 | |||
| 133 | G | 34.6 | Very low | 33.9 | Very low | 60 Ų | 60 | 142.9 Ų | 142.9 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | trans | 98.6 | 85.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 134 | T | 29.3 | Very low | 33.9 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 77% | 0.767 | 71% | 0.705 | S | S | * | * | 174.6 | 124.5 | 123.9 | 27.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 135 | T | 29.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -78 | 115.5 | -179 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | R137 | T135-R137 PolarHBondContact O-N 3.49Š| ||
| 136 | W | 26.9 | Very low | 33.5 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | trans | -92.2 | 97.3 | 171.2 | -81.9 | 81.8 | 0 | 0 | 0 | 110.3 | ||||
| 137 | R | 29.1 | Very low | 33.3 | Very low | 202 Ų | 202 | 144 Ų | 144 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -82 | 134.2 | 165.1 | -96.6 | -170 | -81.7 | -114.8 | 1.6 | 110.1 | T135 | T135-R137 PolarHBondContact O-N 3.49Š| ||
| 138 | N | 33.7 | Very low | 33.3 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 67 | 79.8 | 149 | -57 | -21.4 | 0 | 0 | 0 | 119.6 | ||||
| 139 | H | 31 | Very low | 33 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -105.7 | 98.7 | 144 | -77.1 | -73.9 | 0 | 0 | 0 | 109.6 | ||||
| 140 | R | 28.4 | Very low | 32.5 | Very low | 227 Ų | 227 | 146.6 Ų | 146.6 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -72 | 120 | 171.8 | 179.2 | 179.1 | -73.5 | -132 | -0.7 | 108.6 | Q142 | R140-Q142 PolarHBondContact O-N 3.4Š| ||
| 141 | W | 32.5 | Very low | 32.1 | Very low | 220 Ų | 220 | 144.8 Ų | 144.8 | 83% | 0.833 | 71% | 0.711 | S | S | * | * | trans | -69.7 | 118.2 | -178.3 | -68.1 | 86.4 | 0 | 0 | 0 | 111.4 | ||||
| 142 | Q | 26 | Very low | 32.1 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -104.5 | 111.3 | 163.6 | -73 | -78.6 | 24.3 | 0 | 0 | 108.1 | R140 | R140-Q142 PolarHBondContact O-N 3.4Š| ||
| 143 | P | 41.7 | Very low | 32.3 | Very low | 83 Ų | 83 | 146.4 Ų | 146.4 | 54% | 0.539 | 70% | 0.698 | S | S | . | * | trans | -116.7 | 82.6 | -169.8 | 37.8 | -24.5 | 0 | 0 | 0 | 112.5 | I147 | P143-I147 HydrophobicContact CB-CD1 4.44Š| ||
| 144 | T | 36.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -148.7 | 131.3 | 161.2 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | T146 | T144-T146 PolarHBondContact O-N 2.95Š|
| 145 | T | 38.1 | Very low | 32.8 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 63.6 | -42 | 168.3 | 60.2 | 0 | 0 | 0 | 0 | 120.8 | I147 | T145-I147 VanDerWaalsContact C-N 3.26Å; T145-I147 PolarHBondContact O-N 3.03Å |
| 146 | T | 34.1 | Very low | 33.2 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.5 | -21.5 | -176.2 | -40 | 0 | 0 | 0 | 0 | 113.8 | T144 Y148 | T144-T146 PolarHBondContact O-N 2.95Å; T146-Y148 VanDerWaalsContact C-N 3.34Å; T146-Y148 PolarHBondContact O-N 2.9Å |
| 147 | I | 34.9 | Very low | 33.5 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 33% | 0.333 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.9 | -29.6 | -176.7 | -74 | 169.7 | 0 | 0 | 0 | 113 | P143 T145 K151 | P143-I147 HydrophobicContact CB-CD1 4.44Å; T145-I147 VanDerWaalsContact C-N 3.26Å; T145-I147 PolarHBondContact O-N 3.03Å; I147-K151 HydrophobicContact CG2-CD 3.58Å; I147-K151 HydrophobicContact CG2-CG 3.94Å; I147-K151 VanDerWaalsContact O-CB 3.3Å; I147-K151 WeakPolarHBondContact O-CB 3.24Å; I147-K151 VanDerWaalsContact O-CG 3.24Å; I147-K151 WeakPolarHBondContact O-CG 3.3Å; I147-K151 PolarHBondContact O-N 3.02Å |
| 148 | Y | 31.7 | Very low | 34.3 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 64% | 0.635 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.6 | -38.8 | -173 | -136.8 | -97.3 | 0 | 0 | 0 | 112.6 | L105 T146 K151 R152 | L105-Y148 WeakPolarHBondContact CD2-OH 3.3Å; T146-Y148 VanDerWaalsContact C-N 3.34Å; T146-Y148 PolarHBondContact O-N 2.9Å; Y148-K151 PolarHBondContact O-N 3.05Å; Y148-R152 PolarHBondContact O-N 3.4Å |
| 149 | C | 31.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 72% | 0.716 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.3 | -38.7 | 174.8 | -79.5 | 0 | 0 | 0 | 0 | 112.5 | R153 | C149-R153 PolarHBondContact O-N 3.09Å |
| 150 | W | 28 | Very low | 35.6 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 72% | 0.716 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.8 | -38.5 | 175.2 | -110.1 | 66.2 | 0 | 0 | 0 | 112.3 | R152 R153 F154 | W150-R152 PolarHBondContact O-N 3.21Å; W150-R153 PolarHBondContact O-N 2.87Å; W150-F154 WeakPolarHBondContact O-CB 3.38Å; W150-F154 PolarHBondContact O-N 2.98Å |
| 151 | K | 32 | Very low | 36.5 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.4 | -46.1 | 175.3 | -83.6 | 176.5 | 176.4 | 173.8 | 0 | 112.1 | I147 Y148 R153 F154 V155 | I147-K151 HydrophobicContact CG2-CD 3.58Å; I147-K151 HydrophobicContact CG2-CG 3.94Å; I147-K151 VanDerWaalsContact O-CB 3.3Å; I147-K151 WeakPolarHBondContact O-CB 3.24Å; I147-K151 VanDerWaalsContact O-CG 3.24Å; I147-K151 WeakPolarHBondContact O-CG 3.3Å; I147-K151 PolarHBondContact O-N 3.02Å; Y148-K151 PolarHBondContact O-N 3.05Å; K151-R153 PolarHBondContact O-N 3.35Å; K151-F154 PolarHBondContact O-N 3.46Å; K151-V155 WeakPolarHBondContact O-CG2 3.25Å; K151-V155 PolarHBondContact O-N 3.23Å |
| 152 | R | 32.5 | Very low | 37.7 | Very low | 194 Ų | 194 | 123 Ų | 123 | 73% | 0.732 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64 | -40.3 | -179.8 | -139.1 | 179.9 | -166.5 | -141.4 | 4.8 | 112.1 | Y148 W150 F156 | Y148-R152 PolarHBondContact O-N 3.4Å; W150-R152 PolarHBondContact O-N 3.21Å; R152-F156 PolarHBondContact O-N 2.95Å |
| 153 | R | 36.2 | Very low | 39.2 | Very low | 184 Ų | 184 | 120.1 Ų | 120.1 | 69% | 0.694 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.8 | -31.4 | 177.2 | -161.9 | 163.9 | -170.2 | 164.9 | -0.1 | 112.6 | C149 W150 K151 K157 | C149-R153 PolarHBondContact O-N 3.09Å; W150-R153 PolarHBondContact O-N 2.87Å; K151-R153 PolarHBondContact O-N 3.35Å; R153-K157 WeakPolarHBondContact O-CG 3.43Å; R153-K157 PolarHBondContact O-N 3.34Å |
| 154 | F | 33.2 | Very low | 40.3 | Very low | 80 Ų | 80 | 120.1 Ų | 120.1 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.8 | -42.2 | 179 | -150.5 | -70 | 0 | 0 | 0 | 112.6 | Y116 W150 K151 F156 K157 N158 | Y116-F154 HydrophobicContact CE1-CD1 4.3Å; Y116-F154 AromaticContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CZ 4.14Å; Y116-F154 AromaticContact CZ-CD1 3.79Å; Y116-F154 AromaticContact CZ-CE1 3.57Å; Y116-F154 WeakPolarHBondContact OH-CD1 2.85Å; Y116-F154 WeakPolarHBondContact OH-CE1 3.32Å; Y116-F154 WeakPolarHBondContact OH-CG 3.43Å; W150-F154 WeakPolarHBondContact O-CB 3.38Å; W150-F154 PolarHBondContact O-N 2.98Å; K151-F154 PolarHBondContact O-N 3.46Å; F154-F156 VanDerWaalsContact C-N 3.31Å; F154-F156 PolarHBondContact O-N 3Å; F154-K157 PolarHBondContact O-N 2.94Å; F154-N158 VanDerWaalsContact CD1-ND2 3.32Å; F154-N158 WeakPolarHBondContact CD1-ND2 3.28Å; F154-N158 VanDerWaalsContact CE1-ND2 3.25Å; F154-N158 WeakPolarHBondContact CE1-ND2 3.49Å; F154-N158 WeakPolarHBondContact CE1-OD1 3.48Å; F154-N158 PolarHBondContact O-N 3.47Å |
| 155 | V | 41.6 | Very low | 42.2 | Very low | 50 Ų | 50 | 117.3 Ų | 117.3 | 30% | 0.303 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.4 | -42 | 176.4 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | T112 K151 N158 L159 | T112-V155 HydrophobicContact CG2-CG1 4.37Å; T112-V155 HydrophobicContact CG2-CG2 3.54Å; K151-V155 WeakPolarHBondContact O-CG2 3.25Å; K151-V155 PolarHBondContact O-N 3.23Å; V155-N158 PolarHBondContact O-N 3.25Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3.36Å |
| 156 | F | 37.6 | Very low | 43.6 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 66% | 0.658 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 176.1 | -98.8 | -86.4 | 0 | 0 | 0 | 113.2 | R152 F154 R160 | R152-F156 PolarHBondContact O-N 2.95Å; F154-F156 VanDerWaalsContact C-N 3.31Å; F154-F156 PolarHBondContact O-N 3Å; F156-R160 WeakPolarHBondContact O-CB 3.23Å; F156-R160 PolarHBondContact O-N 2.83Å; F156-R160 VanDerWaalsContact O-N 3.09Å |
| 157 | K | 34.8 | Very low | 45.6 | Very low | 136 Ų | 136 | 112.3 Ų | 112.3 | 59% | 0.591 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 175.8 | -78.5 | -176.2 | 176.8 | -173.6 | 0 | 112 | R153 F154 R160 F161 | R153-K157 WeakPolarHBondContact O-CG 3.43Å; R153-K157 PolarHBondContact O-N 3.34Å; F154-K157 PolarHBondContact O-N 2.94Å; K157-R160 PolarHBondContact O-N 3.4Å; K157-F161 PolarHBondContact O-N 3.11Å |
| 158 | N | 45 | Very low | 47.7 | Very low | 37 Ų | 37 | 111.8 Ų | 111.8 | 20% | 0.198 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 177.2 | -78.7 | -9.1 | 0 | 0 | 0 | 112.3 | F154 V155 R160 F161 D162 | F154-N158 VanDerWaalsContact CD1-ND2 3.32Å; F154-N158 WeakPolarHBondContact CD1-ND2 3.28Å; F154-N158 VanDerWaalsContact CE1-ND2 3.25Å; F154-N158 WeakPolarHBondContact CE1-ND2 3.49Å; F154-N158 WeakPolarHBondContact CE1-OD1 3.48Å; F154-N158 PolarHBondContact O-N 3.47Å; V155-N158 PolarHBondContact O-N 3.25Å; N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 2.86Å; N158-F161 WeakPolarHBondContact O-CA 3.44Å; N158-F161 WeakPolarHBondContact O-CB 3.45Å; N158-F161 PolarHBondContact O-N 3.47Å; N158-D162 PolarHBondContact O-N 3.02Å |
| 159 | L | 44.7 | Very low | 50.1 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -36.7 | 177.9 | -169 | 68.8 | 0 | 0 | 0 | 111.6 | V155 F161 L163 | V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3.36Å; L159-F161 VanDerWaalsContact C-N 3.34Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 3.19Å |
| 160 | R | 46.9 | Very low | 52.4 | Low | 194 Ų | 194 | 112.6 Ų | 112.6 | 73% | 0.732 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 172.5 | -170.4 | 175.8 | 178.9 | 126.3 | -1.9 | 111.6 | F156 K157 N158 T164 | F156-R160 WeakPolarHBondContact O-CB 3.23Å; F156-R160 PolarHBondContact O-N 2.83Å; F156-R160 VanDerWaalsContact O-N 3.09Å; K157-R160 PolarHBondContact O-N 3.4Å; N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 2.86Å; R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 3.45Å; R160-T164 PolarHBondContact O-OG1 3.25Å |
| 161 | F | 47.8 | Very low | 55.2 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -47.3 | 176.1 | -172.4 | -97.7 | 0 | 0 | 0 | 111.6 | K157 N158 L159 L163 T164 V165 | K157-F161 PolarHBondContact O-N 3.11Å; N158-F161 WeakPolarHBondContact O-CA 3.44Å; N158-F161 WeakPolarHBondContact O-CB 3.45Å; N158-F161 PolarHBondContact O-N 3.47Å; L159-F161 VanDerWaalsContact C-N 3.34Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-L163 PolarHBondContact O-N 3.09Å; F161-T164 WeakPolarHBondContact O-CB 3.18Å; F161-T164 PolarHBondContact O-N 2.98Å; F161-T164 VanDerWaalsContact O-N 3.11Å; F161-V165 HydrophobicContact CD1-CG2 4.1Å; F161-V165 HydrophobicContact CE1-CG2 3.76Å; F161-V165 HydrophobicContact CZ-CG2 4.02Å; F161-V165 WeakPolarHBondContact O-CG2 3.37Å; F161-V165 PolarHBondContact O-N 3.39Å |
| 162 | D | 57.7 | Low | 58 | Low | 78 Ų | 78 | 107 Ų | 107 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -43 | 178.2 | -69.8 | -22.9 | 0 | 0 | 0 | 111.4 | N158 T164 V165 A166 | N158-D162 PolarHBondContact O-N 3.02Å; D162-T164 VanDerWaalsContact C-N 3.33Å; D162-T164 PolarHBondContact O-N 2.93Å; D162-V165 PolarHBondContact O-N 2.77Å; D162-A166 WeakPolarHBondContact O-CB 3.33Å; D162-A166 PolarHBondContact O-N 2.9Å |
| 163 | L | 56.5 | Low | 60.6 | Low | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 175.1 | -169 | 70 | 0 | 0 | 0 | 111.6 | L159 F161 A166 L167 | L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 3.19Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-L163 PolarHBondContact O-N 3.09Å; L163-A166 PolarHBondContact O-N 3.16Å; L163-L167 HydrophobicContact CG-CD1 4.16Å; L163-L167 HydrophobicContact CG-CG 4.47Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.1Å; L163-L167 PolarHBondContact O-N 3.03Å |
| 164 | T | 66.3 | Low | 63.2 | Low | 83 Ų | 83 | 96.3 Ų | 96.3 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 179.1 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | R160 F161 D162 S168 | R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 3.45Å; R160-T164 PolarHBondContact O-OG1 3.25Å; F161-T164 WeakPolarHBondContact O-CB 3.18Å; F161-T164 PolarHBondContact O-N 2.98Å; F161-T164 VanDerWaalsContact O-N 3.11Å; D162-T164 VanDerWaalsContact C-N 3.33Å; D162-T164 PolarHBondContact O-N 2.93Å; T164-S168 WeakPolarHBondContact O-CB 2.95Å; T164-S168 PolarHBondContact O-N 3.24Å |
| 165 | V | 74.2 | Confident | 66.1 | Low | 55 Ų | 55 | 99.9 Ų | 99.9 | 33% | 0.333 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | F161 D162 L167 S168 Q169 | F161-V165 HydrophobicContact CD1-CG2 4.1Å; F161-V165 HydrophobicContact CE1-CG2 3.76Å; F161-V165 HydrophobicContact CZ-CG2 4.02Å; F161-V165 WeakPolarHBondContact O-CG2 3.37Å; F161-V165 PolarHBondContact O-N 3.39Å; D162-V165 PolarHBondContact O-N 2.77Å; V165-L167 PolarHBondContact O-N 3.23Å; V165-S168 WeakPolarHBondContact O-CB 3.43Å; V165-S168 PolarHBondContact O-N 3.35Å; V165-Q169 HydrophobicContact CG1-CG 4.49Å; V165-Q169 WeakPolarHBondContact O-CG 3.47Å; V165-Q169 PolarHBondContact O-N 3.43Å |
| 166 | A | 68.6 | Low | 68.6 | Low | 36 Ų | 36 | 106.6 Ų | 106.6 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D162 L163 Q169 R170 | D162-A166 WeakPolarHBondContact O-CB 3.33Å; D162-A166 PolarHBondContact O-N 2.9Å; L163-A166 PolarHBondContact O-N 3.16Å; A166-Q169 PolarHBondContact O-N 2.91Å; A166-R170 WeakPolarHBondContact O-CG 3.18Å; A166-R170 PolarHBondContact O-N 3.49Å |
| 167 | L | 75.4 | Confident | 71.3 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 174.8 | -70.6 | 174.1 | 0 | 0 | 0 | 111.9 | L163 V165 R170 A171 | L163-L167 HydrophobicContact CG-CD1 4.16Å; L163-L167 HydrophobicContact CG-CG 4.47Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.1Å; L163-L167 PolarHBondContact O-N 3.03Å; V165-L167 PolarHBondContact O-N 3.23Å; L167-R170 PolarHBondContact O-N 3.5Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.93Å |
| 168 | S | 78.7 | Confident | 74.2 | Confident | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | T164 V165 A171 K172 | T164-S168 WeakPolarHBondContact O-CB 2.95Å; T164-S168 PolarHBondContact O-N 3.24Å; V165-S168 WeakPolarHBondContact O-CB 3.43Å; V165-S168 PolarHBondContact O-N 3.35Å; S168-A171 PolarHBondContact O-N 3.32Å; S168-K172 WeakPolarHBondContact O-CG 3.49Å; S168-K172 PolarHBondContact O-N 3.16Å |
| 169 | Q | 82.6 | Confident | 76.6 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 175.9 | -74.9 | 173.3 | -21 | 0 | 0 | 111.3 | V165 A166 A171 K172 E173 | V165-Q169 HydrophobicContact CG1-CG 4.49Å; V165-Q169 WeakPolarHBondContact O-CG 3.47Å; V165-Q169 PolarHBondContact O-N 3.43Å; A166-Q169 PolarHBondContact O-N 2.91Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 3.31Å; Q169-K172 WeakPolarHBondContact O-CB 3.49Å; Q169-K172 PolarHBondContact O-N 3.41Å; Q169-K172 VanDerWaalsContact O-N 3.07Å; Q169-E173 WeakPolarHBondContact O-CG 3.24Å; Q169-E173 PolarHBondContact O-N 3.39Å |
| 170 | R | 80.1 | Confident | 79.1 | Confident | 178 Ų | 178 | 108.9 Ų | 108.9 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.2 | -41.8 | 175.2 | -73.9 | 178.6 | 179.2 | -179.9 | -0.1 | 112.2 | A166 L167 E173 A174 | A166-R170 WeakPolarHBondContact O-CG 3.18Å; A166-R170 PolarHBondContact O-N 3.49Å; L167-R170 PolarHBondContact O-N 3.5Å; R170-E173 PolarHBondContact O-N 2.8Å; R170-A174 WeakPolarHBondContact O-CB 3.23Å; R170-A174 PolarHBondContact O-N 3.28Å |
| 171 | A | 86.8 | Confident | 81.4 | Confident | 53 Ų | 53 | 105.7 Ų | 105.7 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L167 S168 Q169 K175 | L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.93Å; S168-A171 PolarHBondContact O-N 3.32Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 3.31Å; A171-K175 WeakPolarHBondContact O-CG 3.4Å; A171-K175 PolarHBondContact O-N 2.81Å; A171-K175 VanDerWaalsContact O-N 3.14Å |
| 172 | K | 89.9 | Confident | 83.8 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.1 | -41.5 | 175.2 | -74 | 173.6 | -176.6 | 177.8 | 0 | 111.8 | S168 Q169 K175 R176 | S168-K172 WeakPolarHBondContact O-CG 3.49Å; S168-K172 PolarHBondContact O-N 3.16Å; Q169-K172 WeakPolarHBondContact O-CB 3.49Å; Q169-K172 PolarHBondContact O-N 3.41Å; Q169-K172 VanDerWaalsContact O-N 3.07Å; K172-K175 PolarHBondContact O-N 2.99Å; K172-R176 WeakPolarHBondContact O-CG 3.36Å; K172-R176 PolarHBondContact O-N 3.46Å |
| 173 | E | 87.2 | Confident | 85.6 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.3 | -74 | 171.2 | -169.9 | 0 | 0 | 111.9 | Q169 R170 K175 R176 K177 | Q169-E173 WeakPolarHBondContact O-CG 3.24Å; Q169-E173 PolarHBondContact O-N 3.39Å; R170-E173 PolarHBondContact O-N 2.8Å; E173-K175 PolarHBondContact O-N 2.85Å; E173-R176 WeakPolarHBondContact O-CB 3.46Å; E173-R176 PolarHBondContact O-N 3.29Å; E173-R176 VanDerWaalsContact O-N 3.13Å; E173-K177 WeakPolarHBondContact O-CG 3.36Å; E173-K177 PolarHBondContact O-N 2.91Å |
| 174 | A | 91.1 | Very high | 87.6 | Confident | 47 Ų | 47 | 108.6 Ų | 108.6 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R170 R176 K177 Q178 | R170-A174 WeakPolarHBondContact O-CB 3.23Å; R170-A174 PolarHBondContact O-N 3.28Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.46Å; A174-K177 PolarHBondContact O-N 2.98Å; A174-Q178 WeakPolarHBondContact O-CG 3.32Å; A174-Q178 PolarHBondContact O-N 3.4Å |
| 175 | K | 94.1 | Very high | 89.1 | Confident | 154 Ų | 154 | 111.9 Ų | 111.9 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.7 | -36.1 | 174.4 | -73.7 | -176.7 | 178.8 | -172.8 | 0 | 112.9 | A171 K172 E173 K179 | A171-K175 WeakPolarHBondContact O-CG 3.4Å; A171-K175 PolarHBondContact O-N 2.81Å; A171-K175 VanDerWaalsContact O-N 3.14Å; K172-K175 PolarHBondContact O-N 2.99Å; E173-K175 PolarHBondContact O-N 2.85Å; K175-K179 WeakPolarHBondContact O-CB 3.47Å; K175-K179 PolarHBondContact O-N 2.83Å; K175-K179 VanDerWaalsContact O-N 3.15Å |
| 176 | R | 94.4 | Very high | 90.2 | Very high | 191 Ų | 191 | 114.3 Ų | 114.3 | 72% | 0.721 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -45.8 | 175.6 | -75.9 | 175.7 | 175.2 | -166.4 | -2.3 | 111.6 | K172 E173 A174 K179 E180 | K172-R176 WeakPolarHBondContact O-CG 3.36Å; K172-R176 PolarHBondContact O-N 3.46Å; E173-R176 WeakPolarHBondContact O-CB 3.46Å; E173-R176 PolarHBondContact O-N 3.29Å; E173-R176 VanDerWaalsContact O-N 3.13Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.46Å; R176-K179 PolarHBondContact O-N 3.4Å; R176-E180 PolarHBondContact O-N 2.96Å |
| 177 | K | 94.6 | Very high | 91.6 | Very high | 133 Ų | 133 | 118.1 Ų | 118.1 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 177.2 | -73.7 | -174.8 | 176.9 | -174 | 0 | 111.8 | E173 A174 K179 E180 E181 | E173-K177 WeakPolarHBondContact O-CG 3.36Å; E173-K177 PolarHBondContact O-N 2.91Å; A174-K177 PolarHBondContact O-N 2.98Å; K177-K179 VanDerWaalsContact C-N 3.31Å; K177-K179 PolarHBondContact O-N 3.47Å; K177-E180 PolarHBondContact O-N 3.23Å; K177-E180 VanDerWaalsContact O-N 3.1Å; K177-E181 WeakPolarHBondContact O-CG 3.38Å; K177-E181 PolarHBondContact O-N 3.02Å |
| 178 | Q | 94.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 116.7 Ų | 116.7 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.4 | -43.7 | 175.3 | -73.8 | 176.9 | -13 | 0 | 0 | 112.2 | A174 E180 E181 E182 | A174-Q178 WeakPolarHBondContact O-CG 3.32Å; A174-Q178 PolarHBondContact O-N 3.4Å; Q178-E180 VanDerWaalsContact C-N 3.33Å; Q178-E180 PolarHBondContact O-N 3.4Å; Q178-E181 PolarHBondContact O-N 3.23Å; Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 PolarHBondContact O-N 3.5Å |
| 179 | K | 97.2 | Very high | 93.5 | Very high | 121 Ų | 121 | 118.2 Ų | 118.2 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -34 | 177.4 | -171.1 | 174.2 | -176.9 | 175.4 | 0 | 112.6 | K175 R176 K177 R183 | K175-K179 WeakPolarHBondContact O-CB 3.47Å; K175-K179 PolarHBondContact O-N 2.83Å; K175-K179 VanDerWaalsContact O-N 3.15Å; R176-K179 PolarHBondContact O-N 3.4Å; K177-K179 VanDerWaalsContact C-N 3.31Å; K177-K179 PolarHBondContact O-N 3.47Å; K179-R183 WeakPolarHBondContact O-CD 3.49Å; K179-R183 WeakPolarHBondContact O-CG 3.33Å; K179-R183 PolarHBondContact O-N 2.96Å; K179-R183 VanDerWaalsContact O-N 3.13Å |
| 180 | E | 95.9 | Very high | 94.3 | Very high | 101 Ų | 101 | 121.7 Ų | 121.7 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.3 | -43.5 | 176.4 | -167.2 | -175.1 | 149.6 | 0 | 0 | 111.9 | R176 K177 Q178 E182 R183 K184 | R176-E180 PolarHBondContact O-N 2.96Å; K177-E180 PolarHBondContact O-N 3.23Å; K177-E180 VanDerWaalsContact O-N 3.1Å; Q178-E180 VanDerWaalsContact C-N 3.33Å; Q178-E180 PolarHBondContact O-N 3.4Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.05Å; E180-R183 WeakPolarHBondContact O-CB 3.31Å; E180-R183 PolarHBondContact O-N 3.43Å; E180-K184 WeakPolarHBondContact O-CG 3.24Å; E180-K184 PolarHBondContact O-N 2.83Å; E180-K184 VanDerWaalsContact OE1-CE 3.24Å; E180-K184 WeakPolarHBondContact OE1-CE 3.29Å; E180-K184 IonicContact OE1-NZ 3.67Å; E180-K184 PolarHBondContact OE1-NZ 2.87Å |
| 181 | E | 95.8 | Very high | 95.1 | Very high | 126 Ų | 126 | 118.1 Ų | 118.1 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 173.9 | -72.5 | 169.9 | -174.2 | 0 | 0 | 111.5 | K177 Q178 R183 K184 K185 | K177-E181 WeakPolarHBondContact O-CG 3.38Å; K177-E181 PolarHBondContact O-N 3.02Å; Q178-E181 PolarHBondContact O-N 3.23Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 3.45Å; E181-K184 PolarHBondContact O-N 3.23Å; E181-K185 WeakPolarHBondContact O-CB 2.89Å; E181-K185 PolarHBondContact O-N 3.47Å |
| 182 | E | 97.3 | Very high | 95.6 | Very high | 98 Ų | 98 | 122.7 Ų | 122.7 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175 | -167 | -168.8 | 167.9 | 0 | 0 | 111.9 | Q178 E180 K185 K186 | Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 PolarHBondContact O-N 3.5Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.05Å; E182-K185 PolarHBondContact O-N 3.49Å; E182-K186 HydrophobicContact CG-CD 4.49Å; E182-K186 WeakPolarHBondContact O-CG 2.81Å; E182-K186 PolarHBondContact O-N 3.07Å; E182-K186 WeakPolarHBondContact OE1-CE 2.67Å; E182-K186 IonicContact OE1-NZ 2.64Å; E182-K186 PolarHBondContact OE1-NZ 3.43Å |
| 183 | R | 97.2 | Very high | 96 | Very high | 158 Ų | 158 | 123.8 Ų | 123.8 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 174.5 | -75.5 | 168.2 | 178.5 | -151.3 | -5.5 | 111.4 | K179 E180 E181 K185 K186 E187 | K179-R183 WeakPolarHBondContact O-CD 3.49Å; K179-R183 WeakPolarHBondContact O-CG 3.33Å; K179-R183 PolarHBondContact O-N 2.96Å; K179-R183 VanDerWaalsContact O-N 3.13Å; E180-R183 WeakPolarHBondContact O-CB 3.31Å; E180-R183 PolarHBondContact O-N 3.43Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 3.45Å; R183-K185 VanDerWaalsContact C-N 3.32Å; R183-K185 PolarHBondContact O-N 3.47Å; R183-K186 PolarHBondContact O-N 2.86Å; R183-E187 WeakPolarHBondContact O-CB 3.5Å; R183-E187 PolarHBondContact O-N 2.98Å |
| 184 | K | 97.8 | Very high | 96.5 | Very high | 119 Ų | 119 | 124.2 Ų | 124.2 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.4 | -42.3 | 176.6 | -71.6 | 176.2 | -176.9 | 168.6 | 0 | 111.3 | E180 E181 E187 T188 | E180-K184 WeakPolarHBondContact O-CG 3.24Å; E180-K184 PolarHBondContact O-N 2.83Å; E180-K184 VanDerWaalsContact OE1-CE 3.24Å; E180-K184 WeakPolarHBondContact OE1-CE 3.29Å; E180-K184 IonicContact OE1-NZ 3.67Å; E180-K184 PolarHBondContact OE1-NZ 2.87Å; E181-K184 PolarHBondContact O-N 3.23Å; K184-E187 PolarHBondContact O-N 3.24Å; K184-T188 WeakPolarHBondContact O-CG2 3.18Å; K184-T188 PolarHBondContact O-N 3.36Å; K184-T188 PolarHBondContact O-OG1 3Å |
| 185 | K | 97.5 | Very high | 96.8 | Very high | 152 Ų | 152 | 127.5 Ų | 127.5 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.3 | -46.3 | 175.7 | -171.8 | 177 | 178.7 | 179.9 | 0 | 112.1 | E181 E182 R183 E187 T188 E189 | E181-K185 WeakPolarHBondContact O-CB 2.89Å; E181-K185 PolarHBondContact O-N 3.47Å; E182-K185 PolarHBondContact O-N 3.49Å; R183-K185 VanDerWaalsContact C-N 3.32Å; R183-K185 PolarHBondContact O-N 3.47Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 2.84Å; K185-T188 PolarHBondContact O-N 2.81Å; K185-T188 PolarHBondContact O-OG1 2.75Å; K185-E189 PolarHBondContact O-N 2.93Å |
| 186 | K | 97.8 | Very high | 97 | Very high | 107 Ų | 107 | 126.5 Ų | 126.5 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -36.7 | 177 | -73.4 | 175.9 | -176.6 | 173.3 | 0 | 112.6 | E182 R183 R190 | E182-K186 HydrophobicContact CG-CD 4.49Å; E182-K186 WeakPolarHBondContact O-CG 2.81Å; E182-K186 PolarHBondContact O-N 3.07Å; E182-K186 WeakPolarHBondContact OE1-CE 2.67Å; E182-K186 IonicContact OE1-NZ 2.64Å; E182-K186 PolarHBondContact OE1-NZ 3.43Å; R183-K186 PolarHBondContact O-N 2.86Å; K186-R190 VanDerWaalsContact O-CG 3.31Å; K186-R190 WeakPolarHBondContact O-CG 3.44Å; K186-R190 PolarHBondContact O-N 2.87Å |
| 187 | E | 97.4 | Very high | 97.1 | Very high | 116 Ų | 116 | 121 Ų | 121 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.9 | -44.6 | 179.1 | -173.2 | 159.2 | -159.5 | 0 | 0 | 112 | R183 K184 K185 E189 R190 Q191 | R183-E187 WeakPolarHBondContact O-CB 3.5Å; R183-E187 PolarHBondContact O-N 2.98Å; K184-E187 PolarHBondContact O-N 3.24Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 2.84Å; E187-E189 VanDerWaalsContact C-N 3.29Å; E187-E189 PolarHBondContact O-N 2.85Å; E187-R190 PolarHBondContact O-N 2.57Å; E187-Q191 WeakPolarHBondContact O-CG 3.5Å; E187-Q191 PolarHBondContact O-N 3.15Å |
| 188 | T | 97.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 120.9 Ų | 120.9 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 173.8 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | K184 K185 Q191 K192 | K184-T188 WeakPolarHBondContact O-CG2 3.18Å; K184-T188 PolarHBondContact O-N 3.36Å; K184-T188 PolarHBondContact O-OG1 3Å; K185-T188 PolarHBondContact O-N 2.81Å; K185-T188 PolarHBondContact O-OG1 2.75Å; T188-Q191 PolarHBondContact O-N 2.89Å; T188-K192 WeakPolarHBondContact O-CG 3.5Å; T188-K192 PolarHBondContact O-N 3.18Å; T188-K192 VanDerWaalsContact O-N 3.1Å |
| 189 | E | 97.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 121.4 Ų | 121.4 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 174.7 | -167.3 | -177.3 | 166.1 | 0 | 0 | 112.3 | K185 E187 K192 R193 | K185-E189 PolarHBondContact O-N 2.93Å; E187-E189 VanDerWaalsContact C-N 3.29Å; E187-E189 PolarHBondContact O-N 2.85Å; E189-K192 PolarHBondContact O-N 2.87Å; E189-R193 WeakPolarHBondContact O-CG 3.31Å; E189-R193 PolarHBondContact O-N 2.84Å; E189-R193 IonicContact OE1-CZ 3.71Å; E189-R193 IonicContact OE1-NE 2.68Å; E189-R193 PolarHBondContact OE1-NE 3.01Å; E189-R193 IonicContact OE1-NH2 3.41Å; E189-R193 PolarHBondContact OE1-NH2 3.42Å |
| 190 | R | 97.9 | Very high | 97.4 | Very high | 179 Ų | 179 | 120.7 Ų | 120.7 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 174.6 | -76.5 | 174.4 | 179.1 | -153 | -1.6 | 111.8 | K186 E187 R193 L194 | K186-R190 VanDerWaalsContact O-CG 3.31Å; K186-R190 WeakPolarHBondContact O-CG 3.44Å; K186-R190 PolarHBondContact O-N 2.87Å; E187-R190 PolarHBondContact O-N 2.57Å; R190-R193 PolarHBondContact O-N 3.38Å; R190-L194 WeakPolarHBondContact O-CG 3.36Å; R190-L194 PolarHBondContact O-N 3.36Å |
| 191 | Q | 96.7 | Very high | 97.4 | Very high | 104 Ų | 104 | 124.2 Ų | 124.2 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 177 | -73.1 | 176.1 | -5.3 | 0 | 0 | 111.3 | E187 T188 R193 L194 E195 | E187-Q191 WeakPolarHBondContact O-CG 3.5Å; E187-Q191 PolarHBondContact O-N 3.15Å; T188-Q191 PolarHBondContact O-N 2.89Å; Q191-R193 VanDerWaalsContact C-N 3.33Å; Q191-R193 PolarHBondContact O-N 3.12Å; Q191-L194 PolarHBondContact O-N 2.79Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 2.73Å |
| 192 | K | 98.2 | Very high | 97.5 | Very high | 149 Ų | 149 | 123.2 Ų | 123.2 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.4 | -40.5 | 176.2 | -71.2 | 175.1 | -178.3 | -176.6 | 0 | 113 | T188 E189 K196 | T188-K192 WeakPolarHBondContact O-CG 3.5Å; T188-K192 PolarHBondContact O-N 3.18Å; T188-K192 VanDerWaalsContact O-N 3.1Å; E189-K192 PolarHBondContact O-N 2.87Å; K192-K196 WeakPolarHBondContact O-CB 3.43Å; K192-K196 PolarHBondContact O-N 2.78Å |
| 193 | R | 97.7 | Very high | 97.4 | Very high | 155 Ų | 155 | 121.4 Ų | 121.4 | 59% | 0.585 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 176.1 | -71.1 | 175.4 | -175.3 | -150.6 | 3.3 | 111.7 | E189 R190 Q191 K196 I197 | E189-R193 WeakPolarHBondContact O-CG 3.31Å; E189-R193 PolarHBondContact O-N 2.84Å; E189-R193 IonicContact OE1-CZ 3.71Å; E189-R193 IonicContact OE1-NE 2.68Å; E189-R193 PolarHBondContact OE1-NE 3.01Å; E189-R193 IonicContact OE1-NH2 3.41Å; E189-R193 PolarHBondContact OE1-NH2 3.42Å; R190-R193 PolarHBondContact O-N 3.38Å; Q191-R193 VanDerWaalsContact C-N 3.33Å; Q191-R193 PolarHBondContact O-N 3.12Å; R193-K196 PolarHBondContact O-N 3.06Å; R193-I197 WeakPolarHBondContact O-CG1 3.26Å; R193-I197 PolarHBondContact O-N 3.49Å |
| 194 | L | 97.9 | Very high | 97.3 | Very high | 117 Ų | 117 | 116.8 Ų | 116.8 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 177.9 | -72.1 | 172.7 | 0 | 0 | 0 | 111.9 | R190 Q191 K196 I197 K198 | R190-L194 WeakPolarHBondContact O-CG 3.36Å; R190-L194 PolarHBondContact O-N 3.36Å; Q191-L194 PolarHBondContact O-N 2.79Å; L194-K196 VanDerWaalsContact C-N 3.35Å; L194-I197 PolarHBondContact O-N 3.07Å; L194-K198 WeakPolarHBondContact O-CB 3.43Å; L194-K198 PolarHBondContact O-N 3.28Å |
| 195 | E | 97.4 | Very high | 97.3 | Very high | 116 Ų | 116 | 118.7 Ų | 118.7 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 174.4 | -74.3 | 179.6 | 178.8 | 0 | 0 | 112.2 | Q191 K198 K199 | Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 2.73Å; E195-K198 PolarHBondContact O-N 2.79Å; E195-K199 WeakPolarHBondContact O-CG 3.4Å; E195-K199 PolarHBondContact O-N 2.85Å |
| 196 | K | 97.9 | Very high | 97.1 | Very high | 132 Ų | 132 | 118 Ų | 118 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -48.7 | 175.4 | -174.8 | 177.5 | 174.6 | -177.5 | 0 | 111.5 | K192 R193 L194 K198 K199 E200 | K192-K196 WeakPolarHBondContact O-CB 3.43Å; K192-K196 PolarHBondContact O-N 2.78Å; R193-K196 PolarHBondContact O-N 3.06Å; L194-K196 VanDerWaalsContact C-N 3.35Å; K196-K198 VanDerWaalsContact C-N 3.29Å; K196-K198 PolarHBondContact O-N 3.45Å; K196-K199 PolarHBondContact O-N 3.25Å; K196-E200 WeakPolarHBondContact CE-OE1 3.24Å; K196-E200 WeakPolarHBondContact O-CG 3.1Å; K196-E200 PolarHBondContact O-N 2.89Å |
| 197 | I | 97.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 115.4 Ų | 115.4 | 39% | 0.39 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 177.4 | -67.3 | 165.4 | 0 | 0 | 0 | 111 | R193 L194 E200 R201 | R193-I197 WeakPolarHBondContact O-CG1 3.26Å; R193-I197 PolarHBondContact O-N 3.49Å; L194-I197 PolarHBondContact O-N 3.07Å; I197-E200 PolarHBondContact O-N 3.17Å; I197-R201 HydrophobicContact CG2-CG 4.46Å; I197-R201 WeakPolarHBondContact O-CB 3.32Å; I197-R201 VanDerWaalsContact O-CG 3.31Å; I197-R201 WeakPolarHBondContact O-CG 3.49Å; I197-R201 PolarHBondContact O-N 2.92Å |
| 198 | K | 97.8 | Very high | 96.8 | Very high | 131 Ų | 131 | 112.6 Ų | 112.6 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 177 | -171.8 | -179.8 | 175.5 | -172.9 | 0 | 111.3 | L194 E195 K196 R201 E202 | L194-K198 WeakPolarHBondContact O-CB 3.43Å; L194-K198 PolarHBondContact O-N 3.28Å; E195-K198 PolarHBondContact O-N 2.79Å; K196-K198 VanDerWaalsContact C-N 3.29Å; K196-K198 PolarHBondContact O-N 3.45Å; K198-R201 PolarHBondContact O-N 3.48Å; K198-E202 WeakPolarHBondContact CE-OE1 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.36Å; K198-E202 PolarHBondContact O-N 2.93Å |
| 199 | K | 97.5 | Very high | 96.6 | Very high | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.609 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 176.3 | -71.8 | 175.1 | -179.1 | 179.8 | 0 | 112.3 | E195 K196 E202 A203 | E195-K199 WeakPolarHBondContact O-CG 3.4Å; E195-K199 PolarHBondContact O-N 2.85Å; K196-K199 PolarHBondContact O-N 3.25Å; K199-E202 PolarHBondContact O-N 3.01Å; K199-A203 WeakPolarHBondContact O-CB 3.26Å; K199-A203 PolarHBondContact O-N 3.41Å |
| 200 | E | 96.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 113.6 Ų | 113.6 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | 175.9 | -73.2 | 171.1 | -179.1 | 0 | 0 | 111.9 | K196 I197 A203 A204 | K196-E200 WeakPolarHBondContact CE-OE1 3.24Å; K196-E200 WeakPolarHBondContact O-CG 3.1Å; K196-E200 PolarHBondContact O-N 2.89Å; I197-E200 PolarHBondContact O-N 3.17Å; E200-A203 PolarHBondContact O-N 3.31Å; E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 3.38Å |
| 201 | R | 97.2 | Very high | 95.8 | Very high | 175 Ų | 175 | 109 Ų | 109 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 175.2 | -74.6 | 176.6 | 174.5 | -170.9 | -2 | 112.5 | I197 K198 K205 | I197-R201 HydrophobicContact CG2-CG 4.46Å; I197-R201 WeakPolarHBondContact O-CB 3.32Å; I197-R201 VanDerWaalsContact O-CG 3.31Å; I197-R201 WeakPolarHBondContact O-CG 3.49Å; I197-R201 PolarHBondContact O-N 2.92Å; K198-R201 PolarHBondContact O-N 3.48Å; R201-K205 WeakPolarHBondContact O-CB 3.29Å; R201-K205 VanDerWaalsContact O-CG 3.27Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 3.42Å |
| 202 | E | 96.2 | Very high | 95.3 | Very high | 105 Ų | 105 | 114.7 Ų | 114.7 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -42.1 | 175.7 | -74.7 | 171.6 | -177.8 | 0 | 0 | 111.5 | K198 K199 K205 K206 | K198-E202 WeakPolarHBondContact CE-OE1 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.36Å; K198-E202 PolarHBondContact O-N 2.93Å; K199-E202 PolarHBondContact O-N 3.01Å; E202-K205 PolarHBondContact O-N 3.38Å; E202-K206 WeakPolarHBondContact O-CB 3.39Å; E202-K206 PolarHBondContact O-N 3.28Å |
| 203 | A | 96.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 114.7 Ų | 114.7 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.4 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K199 E200 K205 K206 A207 | K199-A203 WeakPolarHBondContact O-CB 3.26Å; K199-A203 PolarHBondContact O-N 3.41Å; E200-A203 PolarHBondContact O-N 3.31Å; A203-K205 PolarHBondContact O-N 3.02Å; A203-K206 PolarHBondContact O-N 3.43Å; A203-A207 PolarHBondContact O-N 3.07Å |
| 204 | A | 95.8 | Very high | 92.9 | Very high | 62 Ų | 62 | 115.9 Ų | 115.9 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.8 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E200 K206 A207 A208 | E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 3.38Å; A204-K206 VanDerWaalsContact C-N 3.34Å; A204-A207 PolarHBondContact O-N 3.33Å; A204-A208 WeakPolarHBondContact O-CB 3.47Å; A204-A208 PolarHBondContact O-N 2.75Å |
| 205 | K | 96.2 | Very high | 92.7 | Very high | 158 Ų | 158 | 115.8 Ų | 115.8 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.8 | -40.9 | 173.4 | -77 | 177.6 | 179.2 | -171.6 | 0 | 111.9 | R201 E202 A203 A208 A209 | R201-K205 WeakPolarHBondContact O-CB 3.29Å; R201-K205 VanDerWaalsContact O-CG 3.27Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 3.42Å; E202-K205 PolarHBondContact O-N 3.38Å; A203-K205 PolarHBondContact O-N 3.02Å; K205-A208 PolarHBondContact O-N 3.19Å; K205-A209 WeakPolarHBondContact O-CB 3.35Å; K205-A209 PolarHBondContact O-N 3.44Å |
| 206 | K | 94.9 | Very high | 92.4 | Very high | 138 Ų | 138 | 115.8 Ų | 115.8 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.3 | -46.5 | 177.2 | -165.8 | -173.5 | 179.2 | -159.8 | 0 | 111.5 | E202 A203 A204 A208 A209 E210 | E202-K206 WeakPolarHBondContact O-CB 3.39Å; E202-K206 PolarHBondContact O-N 3.28Å; A203-K206 PolarHBondContact O-N 3.43Å; A204-K206 VanDerWaalsContact C-N 3.34Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.3Å; K206-A209 PolarHBondContact O-N 2.82Å; K206-A209 VanDerWaalsContact O-N 3.14Å; K206-E210 WeakPolarHBondContact CE-OE1 3.39Å; K206-E210 IonicContact NZ-OE1 3.58Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.43Å |
| 207 | A | 93.7 | Very high | 92.1 | Very high | 52 Ų | 52 | 114.9 Ų | 114.9 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.8 | -37.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A203 A204 E210 S211 | A203-A207 PolarHBondContact O-N 3.07Å; A204-A207 PolarHBondContact O-N 3.33Å; A207-E210 PolarHBondContact O-N 3.09Å; A207-S211 PolarHBondContact O-N 3.35Å; A207-S211 PolarHBondContact O-OG 3.32Å |
| 208 | A | 93.4 | Very high | 91.8 | Very high | 58 Ų | 58 | 117.2 Ų | 117.2 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.1 | -33.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A204 K205 K206 S211 R212 | A204-A208 WeakPolarHBondContact O-CB 3.47Å; A204-A208 PolarHBondContact O-N 2.75Å; K205-A208 PolarHBondContact O-N 3.19Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.3Å; A208-S211 WeakPolarHBondContact CA-OG 3.49Å; A208-S211 PolarHBondContact O-OG 2.77Å; A208-R212 WeakPolarHBondContact O-CB 3.11Å; A208-R212 PolarHBondContact O-N 2.95Å |
| 209 | A | 93.4 | Very high | 91.4 | Very high | 65 Ų | 65 | 116.3 Ų | 116.3 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.5 | -39.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K205 K206 R212 | K205-A209 WeakPolarHBondContact O-CB 3.35Å; K205-A209 PolarHBondContact O-N 3.44Å; K206-A209 PolarHBondContact O-N 2.82Å; K206-A209 VanDerWaalsContact O-N 3.14Å; A209-R212 PolarHBondContact O-N 3.47Å |
| 210 | E | 90.5 | Very high | 91 | Very high | 109 Ų | 109 | 114.7 Ų | 114.7 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.5 | -44.9 | 176.6 | -73.2 | 168.5 | -175.4 | 0 | 0 | 111.7 | K206 A207 R212 N213 | K206-E210 WeakPolarHBondContact CE-OE1 3.39Å; K206-E210 IonicContact NZ-OE1 3.58Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.43Å; A207-E210 PolarHBondContact O-N 3.09Å; E210-R212 VanDerWaalsContact C-N 3.27Å; E210-R212 PolarHBondContact O-N 3.36Å; E210-N213 PolarHBondContact O-N 2.89Å |
| 211 | S | 88.4 | Confident | 90.6 | Very high | 81 Ų | 81 | 115.4 Ų | 115.4 | 57% | 0.566 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.8 | -21 | 177.3 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | A207 A208 | A207-S211 PolarHBondContact O-N 3.35Å; A207-S211 PolarHBondContact O-OG 3.32Å; A208-S211 WeakPolarHBondContact CA-OG 3.49Å; A208-S211 PolarHBondContact O-OG 2.77Å |
| 212 | R | 86.6 | Confident | 90.1 | Very high | 224 Ų | 224 | 110.8 Ų | 110.8 | 85% | 0.845 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -11.8 | 176.4 | -158.4 | 174.4 | -170.9 | 168.3 | 3 | 113.2 | A208 A209 E210 | A208-R212 WeakPolarHBondContact O-CB 3.11Å; A208-R212 PolarHBondContact O-N 2.95Å; A209-R212 PolarHBondContact O-N 3.47Å; E210-R212 VanDerWaalsContact C-N 3.27Å; E210-R212 PolarHBondContact O-N 3.36Å |
| 213 | N | 79.1 | Confident | 89.6 | Confident | 149 Ų | 149 | 111.3 Ų | 111.3 | 80% | 0.797 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 10.3 | 179.9 | -161.8 | 50.3 | 0 | 0 | 0 | 113 | E210 | E210-N213 PolarHBondContact O-N 2.89Š|
| 214 | V | 67.4 | Low | 89 | Confident | 180 Ų | 180 | 116 Ų | 116 | 100% | 1.091 | 64% | 0.641 | S | S | * | * | trans | -108.5 | 0 | 169.5 | -177.6 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 214 of 214 residues in 97 ms
(Link to these results)