| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 50.9 | Low | 240 Ų | 240 | 141.3 Ų | 141.3 | 100% | 1.182 | 78% | 0.783 | S | S | * | * | 0 | 114.1 | 0 | -157.6 | 156.8 | -178 | 0 | 0 | 106.9 | |||||
| 2 | E | 46.3 | Very low | 51.1 | Low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 7.2 | 103.1 | 159.8 | -148.1 | 170.3 | 102.3 | 0 | 0 | 117.3 | ||||
| 3 | K | 46.5 | Very low | 51.2 | Low | 196 Ų | 196 | 143.3 Ų | 143.3 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -96.7 | 104.4 | 159 | 177.2 | -179.6 | 163.1 | -176.9 | 0 | 105.7 | ||||
| 4 | N | 60.2 | Low | 51.4 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 133.7 | 171.9 | -72.1 | -63.4 | 0 | 0 | 0 | 109.2 | ||
| 5 | P | 60.1 | Low | 51.6 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 141 | 171.2 | 24.9 | -30.7 | 0 | 0 | 0 | 108.1 | D7 | P5-D7 PolarHBondContact O-N 3.05Š|
| 6 | P | 59.7 | Low | 51.1 | Low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 121.3 | 176.8 | 23.4 | -30.8 | 0 | 0 | 0 | 107.8 | D8 | P6-D8 PolarHBondContact O-N 3.28Š|
| 7 | D | 52.7 | Low | 51.3 | Low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -38.7 | 127.6 | 172.2 | -143.3 | -80 | 0 | 0 | 0 | 108.4 | P5 T9 | P5-D7 PolarHBondContact O-N 3.05Å; D7-T9 PolarHBondContact O-N 3.48Å | ||
| 8 | D | 51.8 | Low | 51.9 | Low | 164 Ų | 164 | 132.7 Ų | 132.7 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -59.6 | 49.9 | -162.2 | -122.9 | -71.1 | 0 | 0 | 0 | 114.4 | P6 G10 | P6-D8 PolarHBondContact O-N 3.28Å; D8-G10 PolarHBondContact O-N 2.63Å |
| 9 | T | 50.7 | Low | 52.2 | Low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -98.7 | 40 | 170.3 | -41.8 | 0 | 0 | 0 | 0 | 108.3 | D7 | D7-T9 PolarHBondContact O-N 3.48Š| ||
| 10 | G | 47.3 | Very low | 52.5 | Low | 43 Ų | 43 | 128.6 Ų | 128.6 | 44% | 0.443 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -69 | 156.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | D8 V12 | D8-G10 PolarHBondContact O-N 2.63Å; G10-V12 PolarHBondContact O-N 2.92Å |
| 11 | P | 50.3 | Low | 52.7 | Low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | -53.2 | 117 | 167.5 | 22.7 | -30.8 | 0 | 0 | 0 | 108 | H13 | P11-H13 PolarHBondContact O-N 2.99Š| ||
| 12 | V | 53.3 | Low | 53.9 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | -50.2 | 112.1 | -178.9 | 178 | 0 | 0 | 0 | 0 | 107.2 | G10 V14 | G10-V12 PolarHBondContact O-N 2.92Å; V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 HydrophobicContact CB-CG2 4.43Å; V12-V14 HydrophobicContact CG1-CG2 3.96Å; V12-V14 WeakPolarHBondContact O-CG2 3.37Å; V12-V14 PolarHBondContact O-N 2.97Å | ||
| 13 | H | 51.8 | Low | 54.7 | Low | 182 Ų | 182 | 116.6 Ų | 116.6 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | trans | -77.6 | 88.7 | -178.2 | -149.1 | 108.2 | 0 | 0 | 0 | 107.1 | P11 P15 | P11-H13 PolarHBondContact O-N 2.99Å; H13-P15 VanDerWaalsContact O-CD 3.29Å; H13-P15 WeakPolarHBondContact O-CD 3.27Å | ||
| 14 | V | 54.8 | Low | 55.4 | Low | 58 Ų | 58 | 114.2 Ų | 114.2 | 35% | 0.352 | 66% | 0.661 | S | S | . | * | trans | -75.7 | 112.9 | 179 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | V12 H18 V20 | V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 HydrophobicContact CB-CG2 4.43Å; V12-V14 HydrophobicContact CG1-CG2 3.96Å; V12-V14 WeakPolarHBondContact O-CG2 3.37Å; V12-V14 PolarHBondContact O-N 2.97Å; V14-H18 HydrophobicContact CG1-CB 3.36Å; V14-H18 VanDerWaalsContact CG1-CG 3.46Å; V14-H18 VanDerWaalsContact CG1-ND1 3.32Å; V14-H18 WeakPolarHBondContact CG1-ND1 3.45Å; V14-V20 HydrophobicContact CG1-CG2 4.27Å; V14-V20 HydrophobicContact CG2-CG2 4.4Å | ||
| 15 | P | 54 | Low | 55.3 | Low | 86 Ų | 86 | 112.9 Ų | 112.9 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | trans | -57.3 | 145 | 177.4 | -20.5 | 31.8 | 0 | 0 | 0 | 110.1 | H13 G17 H18 | H13-P15 VanDerWaalsContact O-CD 3.29Å; H13-P15 WeakPolarHBondContact O-CD 3.27Å; P15-G17 PolarHBondContact O-N 3.02Å; P15-H18 WeakPolarHBondContact O-CB 3.27Å; P15-H18 PolarHBondContact O-N 3.11Å | ||
| 16 | L | 44.4 | Very low | 55.3 | Low | 192 Ų | 192 | 116.9 Ų | 116.9 | 100% | 1.005 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 115.9 | 175.9 | -147.8 | 85.7 | 0 | 0 | 0 | 108.9 | ||
| 17 | G | 54.1 | Low | 55.6 | Low | 77 Ų | 77 | 115.1 Ų | 115.1 | 79% | 0.794 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.3 | -0.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P15 | P15-G17 PolarHBondContact O-N 3.02Š|
| 18 | H | 61.9 | Low | 56.2 | Low | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.519 | 62% | 0.621 | S | S | . | * | trans | -86.6 | 122.6 | 176.6 | 172.9 | -62.2 | 0 | 0 | 0 | 111.8 | V14 P15 V20 | V14-H18 HydrophobicContact CG1-CB 3.36Å; V14-H18 VanDerWaalsContact CG1-CG 3.46Å; V14-H18 VanDerWaalsContact CG1-ND1 3.32Å; V14-H18 WeakPolarHBondContact CG1-ND1 3.45Å; P15-H18 WeakPolarHBondContact O-CB 3.27Å; P15-H18 PolarHBondContact O-N 3.11Å; H18-V20 PolarHBondContact O-N 3.07Å | ||
| 19 | I | 58.2 | Low | 56.8 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | trans | -81.6 | 115.9 | 179.8 | -64.3 | 156 | 0 | 0 | 0 | 108.3 | A21 M34 | I19-A21 PolarHBondContact O-N 2.9Å; I19-M34 HydrophobicContact CD1-CB 3.98Å; I19-M34 HydrophobicContact CD1-CE 3.5Å; I19-M34 HydrophobicContact CD1-CG 4.31Å; I19-M34 HydrophobicContact CD1-SD 4.17Å; I19-M34 HydrophobicContact CG1-CE 4.11Å; I19-M34 HydrophobicContact CG2-CE 3.91Å; I19-M34 HydrophobicContact CG2-SD 3.9Å | ||
| 20 | V | 58.1 | Low | 57.7 | Low | 113 Ų | 113 | 101.9 Ų | 101.9 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | trans | -84.6 | 99.8 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | V14 H18 | V14-V20 HydrophobicContact CG1-CG2 4.27Å; V14-V20 HydrophobicContact CG2-CG2 4.4Å; H18-V20 PolarHBondContact O-N 3.07Å | ||
| 21 | A | 55.8 | Low | 58.5 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | trans | -83.3 | 138.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I19 W25 | I19-A21 PolarHBondContact O-N 2.9Å; A21-W25 HydrophobicContact CB-CB 4.07Å | ||
| 22 | N | 61.1 | Low | 59.3 | Low | 90 Ų | 90 | 101.3 Ų | 101.3 | 48% | 0.481 | 55% | 0.551 | S | S | . | * | trans | -61.5 | 146.9 | 172.2 | -179.4 | -70.3 | 0 | 0 | 0 | 109.3 | K24 W25 | N22-K24 PolarHBondContact O-N 2.87Å; N22-K24 VanDerWaalsContact OD1-CB 3.27Å; N22-K24 WeakPolarHBondContact OD1-CB 3.43Å; N22-K24 VanDerWaalsContact OD1-CG 3.27Å; N22-K24 WeakPolarHBondContact OD1-CG 3.29Å; N22-K24 PolarHBondContact OD1-N 2.91Å; N22-W25 HydrophobicContact CB-CG 4.29Å; N22-W25 WeakPolarHBondContact O-CA 3.41Å; N22-W25 WeakPolarHBondContact O-CB 3.39Å; N22-W25 PolarHBondContact O-N 3.06Å | ||
| 23 | E | 62.3 | Low | 59.9 | Low | 146 Ų | 146 | 97 Ų | 97 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -56.5 | -28.1 | -177.2 | -159.8 | 179.5 | 149.1 | 0 | 0 | 113.2 | W25 R26 | E23-W25 PolarHBondContact O-N 3.31Å; E23-W25 VanDerWaalsContact O-N 3.11Å; E23-R26 WeakPolarHBondContact O-CB 3.18Å; E23-R26 PolarHBondContact O-N 2.77Å; E23-R26 VanDerWaalsContact O-N 3.07Å; E23-R26 IonicContact OE1-NH1 3.74Å |
| 24 | K | 60.4 | Low | 60.5 | Low | 146 Ų | 146 | 91 Ų | 91 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -62.6 | -14.1 | 172.7 | -64.2 | 176.1 | 178.2 | -178.7 | 0 | 114.1 | N22 F58 | N22-K24 PolarHBondContact O-N 2.87Å; N22-K24 VanDerWaalsContact OD1-CB 3.27Å; N22-K24 WeakPolarHBondContact OD1-CB 3.43Å; N22-K24 VanDerWaalsContact OD1-CG 3.27Å; N22-K24 WeakPolarHBondContact OD1-CG 3.29Å; N22-K24 PolarHBondContact OD1-N 2.91Å; K24-F58 HydrophobicContact CD-CE1 4.38Å; K24-F58 HydrophobicContact CD-CE2 4.24Å; K24-F58 HydrophobicContact CD-CZ 3.98Å |
| 25 | W | 59.1 | Low | 61 | Low | 86 Ų | 86 | 96.2 Ų | 96.2 | 33% | 0.326 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -98.2 | -5.3 | -179.2 | -59.4 | 39.1 | 0 | 0 | 0 | 111.1 | A21 N22 E23 G27 S28 L30 A31 | A21-W25 HydrophobicContact CB-CB 4.07Å; N22-W25 HydrophobicContact CB-CG 4.29Å; N22-W25 WeakPolarHBondContact O-CA 3.41Å; N22-W25 WeakPolarHBondContact O-CB 3.39Å; N22-W25 PolarHBondContact O-N 3.06Å; E23-W25 PolarHBondContact O-N 3.31Å; E23-W25 VanDerWaalsContact O-N 3.11Å; W25-G27 PolarHBondContact O-N 2.73Å; W25-S28 PolarHBondContact O-N 3.03Å; W25-S28 PolarHBondContact O-OG 3.16Å; W25-L30 HydrophobicContact CE3-CD2 4.13Å; W25-L30 HydrophobicContact CH2-CD2 4.39Å; W25-L30 HydrophobicContact CZ3-CD2 3.53Å; W25-A31 WeakPolarHBondContact O-CB 3.26Å |
| 26 | R | 59.6 | Low | 61.4 | Low | 194 Ų | 194 | 96 Ų | 96 | 73% | 0.732 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 112.8 | 172 | -83.7 | 177 | 58.3 | -121.7 | -3.7 | 109.2 | E23 | E23-R26 WeakPolarHBondContact O-CB 3.18Å; E23-R26 PolarHBondContact O-N 2.77Å; E23-R26 VanDerWaalsContact O-N 3.07Å; E23-R26 IonicContact OE1-NH1 3.74Å |
| 27 | G | 66.1 | Low | 62 | Low | 74 Ų | 74 | 91.3 Ų | 91.3 | 76% | 0.763 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W25 | W25-G27 PolarHBondContact O-N 2.73Š|
| 28 | S | 65.1 | Low | 62 | Low | 30 Ų | 30 | 91.6 Ų | 91.6 | 21% | 0.21 | 49% | 0.494 | C | S | . | . | trans | -75 | 149.1 | 167.7 | 75.8 | 0 | 0 | 0 | 0 | 110.6 | W25 L30 A31 Q32 | W25-S28 PolarHBondContact O-N 3.03Å; W25-S28 PolarHBondContact O-OG 3.16Å; S28-L30 PolarHBondContact O-N 3.01Å; S28-A31 PolarHBondContact O-N 3.45Å; S28-A31 VanDerWaalsContact O-N 3.11Å; S28-A31 WeakPolarHBondContact OG-CB 3.35Å; S28-A31 PolarHBondContact OG-N 3.11Å; S28-A31 VanDerWaalsContact OG-N 3.15Å; S28-Q32 PolarHBondContact O-N 3.38Å; S28-Q32 VanDerWaalsContact O-N 3.13Å | ||
| 29 | Q | 64.9 | Low | 61.6 | Low | 127 Ų | 127 | 90.5 Ų | 90.5 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.8 | -39.6 | 177.8 | -176.6 | 168.5 | 10.8 | 0 | 0 | 111.1 | A31 Q32 E33 | Q29-A31 PolarHBondContact O-N 3.15Å; Q29-Q32 PolarHBondContact O-N 3.38Å; Q29-E33 HydrophobicContact CG-CG 4.16Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.32Å; Q29-E33 PolarHBondContact NE2-OE1 3.03Å; Q29-E33 WeakPolarHBondContact O-CB 3.16Å; Q29-E33 WeakPolarHBondContact O-CG 3.43Å; Q29-E33 PolarHBondContact O-N 3.31Å |
| 30 | L | 68.8 | Low | 61.5 | Low | 11 Ų | 11 | 93.5 Ų | 93.5 | 6% | 0.058 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 174.3 | 176.7 | 63.6 | 0 | 0 | 0 | 112.7 | W25 S28 Q32 E33 M34 I46 | W25-L30 HydrophobicContact CE3-CD2 4.13Å; W25-L30 HydrophobicContact CH2-CD2 4.39Å; W25-L30 HydrophobicContact CZ3-CD2 3.53Å; S28-L30 PolarHBondContact O-N 3.01Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.95Å; L30-E33 PolarHBondContact O-N 3.46Å; L30-M34 HydrophobicContact CD1-CG 3.79Å; L30-M34 HydrophobicContact CD1-SD 3.92Å; L30-M34 HydrophobicContact CG-CG 4.27Å; L30-M34 HydrophobicContact CG-SD 4.04Å; L30-M34 VanDerWaalsContact O-CB 3.22Å; L30-M34 WeakPolarHBondContact O-CB 3.36Å; L30-M34 WeakPolarHBondContact O-CG 3.16Å; L30-M34 PolarHBondContact O-N 3.13Å; L30-I46 HydrophobicContact CB-CG2 4.33Å; L30-I46 HydrophobicContact CD1-CB 4.1Å; L30-I46 HydrophobicContact CD1-CG2 3.59Å; L30-I46 HydrophobicContact CG-CG2 4.5Å |
| 31 | A | 64.1 | Low | 61.4 | Low | 19 Ų | 19 | 95.5 Ų | 95.5 | 16% | 0.157 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -67 | -32.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W25 S28 Q29 Q35 | W25-A31 WeakPolarHBondContact O-CB 3.26Å; S28-A31 PolarHBondContact O-N 3.45Å; S28-A31 VanDerWaalsContact O-N 3.11Å; S28-A31 WeakPolarHBondContact OG-CB 3.35Å; S28-A31 PolarHBondContact OG-N 3.11Å; S28-A31 VanDerWaalsContact OG-N 3.15Å; Q29-A31 PolarHBondContact O-N 3.15Å; A31-Q35 WeakPolarHBondContact O-CG 3.22Å |
| 32 | Q | 67.9 | Low | 61.6 | Low | 139 Ų | 139 | 96 Ų | 96 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.9 | -38.4 | 176.6 | -160.5 | 173.8 | -60.7 | 0 | 0 | 111.9 | S28 Q29 L30 Q35 | S28-Q32 PolarHBondContact O-N 3.38Å; S28-Q32 VanDerWaalsContact O-N 3.13Å; Q29-Q32 PolarHBondContact O-N 3.38Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.95Å; Q32-Q35 PolarHBondContact O-N 3.22Å |
| 33 | E | 65.4 | Low | 61.7 | Low | 37 Ų | 37 | 93.9 Ų | 93.9 | 17% | 0.173 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -74 | -33.7 | 177.2 | -74.5 | 178.8 | 171.8 | 0 | 0 | 112.2 | Q29 L30 Q35 D36 F39 | Q29-E33 HydrophobicContact CG-CG 4.16Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.32Å; Q29-E33 PolarHBondContact NE2-OE1 3.03Å; Q29-E33 WeakPolarHBondContact O-CB 3.16Å; Q29-E33 WeakPolarHBondContact O-CG 3.43Å; Q29-E33 PolarHBondContact O-N 3.31Å; L30-E33 PolarHBondContact O-N 3.46Å; E33-Q35 PolarHBondContact O-N 3.33Å; E33-D36 PolarHBondContact O-N 3.48Å; E33-D36 VanDerWaalsContact O-N 3.08Å; E33-F39 HydrophobicContact CB-CD1 3.7Å; E33-F39 HydrophobicContact CB-CE1 4.15Å; E33-F39 HydrophobicContact CB-CG 4.23Å; E33-F39 HydrophobicContact CG-CD1 3.87Å; E33-F39 HydrophobicContact CG-CE1 3.88Å; E33-F39 HydrophobicContact CG-CG 4.32Å; E33-F39 HydrophobicContact CG-CZ 4.36Å; E33-F39 VanDerWaalsContact OE2-CE1 3.3Å; E33-F39 WeakPolarHBondContact OE2-CE1 3.36Å |
| 34 | M | 64.6 | Low | 61.7 | Low | 57 Ų | 57 | 94.1 Ų | 94.1 | 28% | 0.281 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19 | 173 | -76.9 | -172.2 | 109.3 | 0 | 0 | 113.6 | I19 L30 P43 | I19-M34 HydrophobicContact CD1-CB 3.98Å; I19-M34 HydrophobicContact CD1-CE 3.5Å; I19-M34 HydrophobicContact CD1-CG 4.31Å; I19-M34 HydrophobicContact CD1-SD 4.17Å; I19-M34 HydrophobicContact CG1-CE 4.11Å; I19-M34 HydrophobicContact CG2-CE 3.91Å; I19-M34 HydrophobicContact CG2-SD 3.9Å; L30-M34 HydrophobicContact CD1-CG 3.79Å; L30-M34 HydrophobicContact CD1-SD 3.92Å; L30-M34 HydrophobicContact CG-CG 4.27Å; L30-M34 HydrophobicContact CG-SD 4.04Å; L30-M34 VanDerWaalsContact O-CB 3.22Å; L30-M34 WeakPolarHBondContact O-CB 3.36Å; L30-M34 WeakPolarHBondContact O-CG 3.16Å; L30-M34 PolarHBondContact O-N 3.13Å; M34-P43 HydrophobicContact CE-CB 4.41Å |
| 35 | Q | 64.6 | Low | 61.8 | Low | 167 Ų | 167 | 93 Ų | 93 | 78% | 0.78 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -17.7 | 172.2 | -73.5 | 178.7 | -18 | 0 | 0 | 112.7 | A31 Q32 E33 A37 | A31-Q35 WeakPolarHBondContact O-CG 3.22Å; Q32-Q35 PolarHBondContact O-N 3.22Å; E33-Q35 PolarHBondContact O-N 3.33Å; Q35-A37 PolarHBondContact O-N 2.88Å |
| 36 | D | 64 | Low | 62.2 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | trans | -85.2 | 109.9 | 175 | -171 | -12.8 | 0 | 0 | 0 | 109.3 | E33 A38 F39 | E33-D36 PolarHBondContact O-N 3.48Å; E33-D36 VanDerWaalsContact O-N 3.08Å; D36-A38 PolarHBondContact O-N 3.2Å; D36-A38 VanDerWaalsContact O-N 3.07Å; D36-A38 WeakPolarHBondContact OD1-CB 3.22Å; D36-A38 PolarHBondContact OD1-N 3.14Å; D36-F39 HydrophobicContact CB-CB 3.92Å; D36-F39 PolarHBondContact O-N 3.22Å | ||
| 37 | A | 55.2 | Low | 62.6 | Low | 95 Ų | 95 | 84.8 Ų | 84.8 | 79% | 0.785 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -22.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q35 | Q35-A37 PolarHBondContact O-N 2.88Š|
| 38 | A | 55.3 | Low | 62.5 | Low | 82 Ų | 82 | 89.4 Ų | 89.4 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -19.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | D36 F40 | D36-A38 PolarHBondContact O-N 3.2Å; D36-A38 VanDerWaalsContact O-N 3.07Å; D36-A38 WeakPolarHBondContact OD1-CB 3.22Å; D36-A38 PolarHBondContact OD1-N 3.14Å; A38-F40 VanDerWaalsContact C-N 3.26Å; A38-F40 PolarHBondContact O-N 3.4Å |
| 39 | F | 53.7 | Low | 62.5 | Low | 90 Ų | 90 | 94.7 Ų | 94.7 | 40% | 0.395 | 48% | 0.48 | S | S | . | . | trans | -90.1 | 14.7 | -175.9 | -141.8 | -92.1 | 0 | 0 | 0 | 113.3 | E33 D36 M41 I46 | E33-F39 HydrophobicContact CB-CD1 3.7Å; E33-F39 HydrophobicContact CB-CE1 4.15Å; E33-F39 HydrophobicContact CB-CG 4.23Å; E33-F39 HydrophobicContact CG-CD1 3.87Å; E33-F39 HydrophobicContact CG-CE1 3.88Å; E33-F39 HydrophobicContact CG-CG 4.32Å; E33-F39 HydrophobicContact CG-CZ 4.36Å; E33-F39 VanDerWaalsContact OE2-CE1 3.3Å; E33-F39 WeakPolarHBondContact OE2-CE1 3.36Å; D36-F39 HydrophobicContact CB-CB 3.92Å; D36-F39 PolarHBondContact O-N 3.22Å; F39-M41 PolarHBondContact O-N 3.45Å; F39-I46 HydrophobicContact CD1-CD1 3.79Å; F39-I46 HydrophobicContact CE1-CD1 3.83Å | ||
| 40 | F | 54.8 | Low | 62.5 | Low | 134 Ų | 134 | 93.1 Ų | 93.1 | 59% | 0.588 | 47% | 0.472 | S | S | * | . | trans | -67.5 | 28.8 | 171.2 | -125 | -89.7 | 0 | 0 | 0 | 113.4 | A38 S42 P43 | A38-F40 VanDerWaalsContact C-N 3.26Å; A38-F40 PolarHBondContact O-N 3.4Å; F40-S42 PolarHBondContact O-N 3.3Å; F40-P43 HydrophobicContact CD1-CG 4.25Å; F40-P43 HydrophobicContact CE1-CG 4.04Å; F40-P43 HydrophobicContact CZ-CG 4.42Å | ||
| 41 | M | 56.1 | Low | 62.1 | Low | 154 Ų | 154 | 97 Ų | 97 | 76% | 0.759 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -76.4 | 75.8 | 169.6 | -70.2 | -79.8 | -114.6 | 0 | 0 | 108.2 | F39 | F39-M41 PolarHBondContact O-N 3.45Š|
| 42 | S | 61.1 | Low | 62 | Low | 57 Ų | 57 | 99.8 Ų | 99.8 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | trans | 58.6 | 86.7 | 171.5 | -152.9 | 0 | 0 | 0 | 0 | 114.9 | F40 K44 L45 | F40-S42 PolarHBondContact O-N 3.3Å; S42-K44 PolarHBondContact O-N 3.08Å; S42-L45 PolarHBondContact O-N 3.42Å | ||
| 43 | P | 63.1 | Low | 61.7 | Low | 47 Ų | 47 | 97.5 Ų | 97.5 | 31% | 0.305 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -49.5 | -23.9 | 174.1 | -28.3 | 34.7 | 0 | 0 | 0 | 114.5 | M34 F40 W47 | M34-P43 HydrophobicContact CE-CB 4.41Å; F40-P43 HydrophobicContact CD1-CG 4.25Å; F40-P43 HydrophobicContact CE1-CG 4.04Å; F40-P43 HydrophobicContact CZ-CG 4.42Å; P43-W47 WeakPolarHBondContact O-CB 3.32Å; P43-W47 PolarHBondContact O-N 2.83Å |
| 44 | K | 62.1 | Low | 61.1 | Low | 151 Ų | 151 | 104.3 Ų | 104.3 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.2 | -33.2 | 177.6 | -163.3 | 171.5 | -179 | 88.3 | 0 | 113.5 | S42 W48 | S42-K44 PolarHBondContact O-N 3.08Å; K44-W48 PolarHBondContact O-N 3.48Å; K44-W48 VanDerWaalsContact O-N 3.14Å |
| 45 | L | 62.3 | Low | 60.4 | Low | 121 Ų | 121 | 112 Ų | 112 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.3 | -42.3 | 179.2 | -98.3 | 153.4 | 0 | 0 | 0 | 111.6 | S42 W47 W48 Q49 | S42-L45 PolarHBondContact O-N 3.42Å; L45-W47 VanDerWaalsContact C-N 3.32Å; L45-W47 PolarHBondContact O-N 3.43Å; L45-W48 PolarHBondContact O-N 2.99Å; L45-Q49 PolarHBondContact O-N 2.96Å |
| 46 | I | 67.9 | Low | 60 | Low | 26 Ų | 26 | 107.3 Ų | 107.3 | 13% | 0.133 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -62.5 | -43.4 | 176.3 | -56.4 | 167.9 | 0 | 0 | 0 | 109.8 | L30 F39 W48 Q49 E50 | L30-I46 HydrophobicContact CB-CG2 4.33Å; L30-I46 HydrophobicContact CD1-CB 4.1Å; L30-I46 HydrophobicContact CD1-CG2 3.59Å; L30-I46 HydrophobicContact CG-CG2 4.5Å; F39-I46 HydrophobicContact CD1-CD1 3.79Å; F39-I46 HydrophobicContact CE1-CD1 3.83Å; I46-W48 PolarHBondContact O-N 3.49Å; I46-Q49 PolarHBondContact O-N 3.22Å; I46-E50 PolarHBondContact O-N 3.34Å |
| 47 | W | 67.3 | Low | 59.3 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 31% | 0.311 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -39.5 | 175.5 | -171 | 85.6 | 0 | 0 | 0 | 113.1 | P43 L45 M51 | P43-W47 WeakPolarHBondContact O-CB 3.32Å; P43-W47 PolarHBondContact O-N 2.83Å; L45-W47 VanDerWaalsContact C-N 3.32Å; L45-W47 PolarHBondContact O-N 3.43Å; W47-M51 HydrophobicContact CD2-CG 4.06Å; W47-M51 HydrophobicContact CE3-CG 4.06Å; W47-M51 HydrophobicContact CH2-CE 3.68Å; W47-M51 HydrophobicContact CH2-CG 4.13Å; W47-M51 HydrophobicContact CZ2-CE 3.2Å; W47-M51 HydrophobicContact CZ2-CG 4.11Å; W47-M51 HydrophobicContact CZ2-SD 4.5Å; W47-M51 HydrophobicContact CZ3-CG 4.09Å; W47-M51 WeakPolarHBondContact O-CB 3.33Å; W47-M51 VanDerWaalsContact O-CG 3.26Å; W47-M51 WeakPolarHBondContact O-CG 3.3Å; W47-M51 PolarHBondContact O-N 2.88Å |
| 48 | W | 63.6 | Low | 58.8 | Low | 172 Ų | 172 | 110.5 Ų | 110.5 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -37.3 | 174.7 | -93 | 60.5 | 0 | 0 | 0 | 112.5 | K44 L45 I46 M51 A52 | K44-W48 PolarHBondContact O-N 3.48Å; K44-W48 VanDerWaalsContact O-N 3.14Å; L45-W48 PolarHBondContact O-N 2.99Å; I46-W48 PolarHBondContact O-N 3.49Å; W48-M51 PolarHBondContact O-N 2.81Å; W48-A52 VanDerWaalsContact O-CB 3.22Å; W48-A52 WeakPolarHBondContact O-CB 3.43Å; W48-A52 PolarHBondContact O-N 2.9Å |
| 49 | Q | 66.5 | Low | 58.1 | Low | 141 Ų | 141 | 109.7 Ų | 109.7 | 66% | 0.659 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.2 | -38.2 | 179.1 | -168.9 | 144.8 | 42.2 | 0 | 0 | 112.3 | L45 I46 A52 T53 | L45-Q49 PolarHBondContact O-N 2.96Å; I46-Q49 PolarHBondContact O-N 3.22Å; Q49-A52 PolarHBondContact O-N 2.87Å; Q49-T53 PolarHBondContact O-N 2.99Å; Q49-T53 PolarHBondContact O-OG1 2.96Å |
| 50 | E | 64.4 | Low | 57.8 | Low | 94 Ų | 94 | 112.6 Ų | 112.6 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -44.6 | 172.4 | -170.1 | 67.7 | -174 | 0 | 0 | 111.2 | I46 A52 T53 | I46-E50 PolarHBondContact O-N 3.34Å; E50-A52 PolarHBondContact O-N 3.46Å; E50-T53 PolarHBondContact O-N 2.89Å |
| 51 | M | 61 | Low | 57.1 | Low | 91 Ų | 91 | 115 Ų | 115 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.8 | -35.1 | 176.1 | -75.4 | -65 | -151.2 | 0 | 0 | 113.3 | W47 W48 T53 | W47-M51 HydrophobicContact CD2-CG 4.06Å; W47-M51 HydrophobicContact CE3-CG 4.06Å; W47-M51 HydrophobicContact CH2-CE 3.68Å; W47-M51 HydrophobicContact CH2-CG 4.13Å; W47-M51 HydrophobicContact CZ2-CE 3.2Å; W47-M51 HydrophobicContact CZ2-CG 4.11Å; W47-M51 HydrophobicContact CZ2-SD 4.5Å; W47-M51 HydrophobicContact CZ3-CG 4.09Å; W47-M51 WeakPolarHBondContact O-CB 3.33Å; W47-M51 VanDerWaalsContact O-CG 3.26Å; W47-M51 WeakPolarHBondContact O-CG 3.3Å; W47-M51 PolarHBondContact O-N 2.88Å; W48-M51 PolarHBondContact O-N 2.81Å; M51-T53 PolarHBondContact O-N 2.94Å |
| 52 | A | 61.8 | Low | 56.6 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 65% | 0.653 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.8 | -15.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | W48 Q49 E50 E54 | W48-A52 VanDerWaalsContact O-CB 3.22Å; W48-A52 WeakPolarHBondContact O-CB 3.43Å; W48-A52 PolarHBondContact O-N 2.9Å; Q49-A52 PolarHBondContact O-N 2.87Å; E50-A52 PolarHBondContact O-N 3.46Å; A52-E54 VanDerWaalsContact C-N 3.26Å; A52-E54 PolarHBondContact O-N 3.07Å |
| 53 | T | 61.6 | Low | 55.5 | Low | 91 Ų | 91 | 115.2 Ų | 115.2 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 12.6 | -176.5 | -59.2 | 0 | 0 | 0 | 0 | 113 | Q49 E50 M51 R55 | Q49-T53 PolarHBondContact O-N 2.99Å; Q49-T53 PolarHBondContact O-OG1 2.96Å; E50-T53 PolarHBondContact O-N 2.89Å; M51-T53 PolarHBondContact O-N 2.94Å; T53-R55 PolarHBondContact O-N 2.97Å |
| 54 | E | 51.5 | Low | 54.5 | Low | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.6 | 23.2 | 170.5 | -58.5 | -159.7 | 139.9 | 0 | 0 | 116.2 | A52 G56 | A52-E54 VanDerWaalsContact C-N 3.26Å; A52-E54 PolarHBondContact O-N 3.07Å; E54-G56 PolarHBondContact O-N 3.44Å |
| 55 | R | 51.7 | Low | 53.5 | Low | 218 Ų | 218 | 119.9 Ų | 119.9 | 82% | 0.823 | 62% | 0.624 | S | S | * | * | trans | -78.8 | 64.2 | 158.7 | -68.6 | -171.2 | 178.4 | -132.2 | 0.5 | 108.2 | T53 L57 | T53-R55 PolarHBondContact O-N 2.97Å; R55-L57 PolarHBondContact O-N 3.38Å | ||
| 56 | G | 55.4 | Low | 52.6 | Low | 68 Ų | 68 | 122.1 Ų | 122.1 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | trans | -64 | 91.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E54 | E54-G56 PolarHBondContact O-N 3.44Š| ||
| 57 | L | 48.7 | Very low | 51.2 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 69% | 0.686 | 67% | 0.666 | S | S | * | * | trans | -143.4 | 135.3 | 153.4 | -76.8 | 172.3 | 0 | 0 | 0 | 108.5 | R55 | R55-L57 PolarHBondContact O-N 3.38Š| ||
| 58 | F | 45.1 | Very low | 49.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 49% | 0.491 | 69% | 0.691 | S | S | . | * | trans | 91.5 | 83.3 | 166.4 | -40.6 | -61.2 | 0 | 0 | 0 | 115.1 | K24 | K24-F58 HydrophobicContact CD-CE1 4.38Å; K24-F58 HydrophobicContact CD-CE2 4.24Å; K24-F58 HydrophobicContact CD-CZ 3.98Å | ||
| 59 | G | 41.3 | Very low | 48.7 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | trans | -56.4 | 143.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 60 | L | 47.6 | Very low | 47.8 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 22.4 | 130.7 | 150.7 | -68 | 149.9 | 0 | 0 | 0 | 116.4 | ||||
| 61 | E | 38.7 | Very low | 47 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | -153 | 113.6 | 62.4 | -73.1 | 169.8 | 107.5 | 0 | 0 | 110.6 | P63 | E61-P63 WeakPolarHBondContact O-CD 3.4Š| |||
| 62 | I | 46 | Very low | 46.2 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | trans | -86.2 | 113.4 | 159.1 | -61.1 | 170.1 | 0 | 0 | 0 | 104.9 | I64 | I62-I64 PolarHBondContact O-N 2.92Š| ||
| 63 | P | 38 | Very low | 45.3 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | -63.1 | 114.5 | 165.5 | 26.8 | -29.8 | 0 | 0 | 0 | 106.2 | E61 I65 | E61-P63 WeakPolarHBondContact O-CD 3.4Å; P63-I65 HydrophobicContact CB-CG1 4.27Å; P63-I65 PolarHBondContact O-N 2.76Å | ||
| 64 | I | 42.7 | Very low | 44.2 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | -63 | 81.1 | 173.1 | -58.5 | 174.8 | 0 | 0 | 0 | 107 | I62 | I62-I64 PolarHBondContact O-N 2.92Š| ||
| 65 | I | 41 | Very low | 43.8 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -101.9 | 44.7 | 163.9 | -45 | -179.3 | 0 | 0 | 0 | 107.9 | P63 | P63-I65 HydrophobicContact CB-CG1 4.27Å; P63-I65 PolarHBondContact O-N 2.76Å | ||
| 66 | L | 42.2 | Very low | 43.2 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -124.1 | 56.8 | 159.7 | -156.2 | 89.8 | 0 | 0 | 0 | 107.4 | ||||
| 67 | K | 39.1 | Very low | 42.2 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -120.1 | 106.8 | 166.2 | -153.6 | 167.2 | 180 | 170.6 | 0 | 106.5 | ||
| 68 | E | 39.3 | Very low | 41.7 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 70.8 | 91.3 | 169.7 | -59.5 | -168.1 | 111.4 | 0 | 0 | 117.3 | ||||
| 69 | L | 39.5 | Very low | 41.4 | Very low | 255 Ų | 255 | 153.5 Ų | 153.5 | 100% | 1.335 | 81% | 0.809 | S | S | * | * | -139 | 0 | 129.1 | -87.6 | 172.6 | 0 | 0 | 0 | 108.7 |
Retrieved 69 of 69 residues in 36.7 ms
(Link to these results)