| 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 | 35.6 | Very low | 67 | Low | 246 Ų | 246 | 153.5 Ų | 153.5 | 100% | 1.212 | 79% | 0.786 | S | S | * | * | 0 | 113.9 | 0 | -68.3 | -166.2 | 171.9 | 0 | 0 | 108 | S3 | M1-S3 PolarHBondContact O-N 3.2Š| |||
| 2 | A | 46.4 | Very low | 68.6 | Low | 104 Ų | 104 | 151 Ų | 151 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -80.6 | 112.3 | -179 | 0 | 0 | 0 | 0 | 0 | 108.9 | E4 | A2-E4 PolarHBondContact O-N 2.78Š| ||
| 3 | S | 52.6 | Low | 70 | Confident | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -58 | 118.9 | 171.5 | 171.4 | 0 | 0 | 0 | 0 | 109.2 | M1 R5 | M1-S3 PolarHBondContact O-N 3.2Å; S3-R5 PolarHBondContact O-N 3.23Å | ||
| 4 | E | 55.4 | Low | 71.2 | Confident | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -55.8 | 110.3 | 170.1 | -74.4 | 178.4 | 163.1 | 0 | 0 | 109.4 | A2 K6 | A2-E4 PolarHBondContact O-N 2.78Å; E4-K6 PolarHBondContact O-N 3.4Å | ||
| 5 | R | 63.5 | Low | 72.1 | Confident | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 69% | 0.686 | S | S | * | * | trans | -78.2 | 103.5 | 174.5 | -62.6 | -176.3 | -161.9 | 168.8 | 4.7 | 107.5 | S3 T7 | S3-R5 PolarHBondContact O-N 3.23Å; R5-T7 PolarHBondContact O-N 3.03Å | ||
| 6 | K | 68.4 | Low | 73.3 | Confident | 183 Ų | 183 | 132.6 Ų | 132.6 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | trans | -59.1 | 123.5 | 171.1 | -65 | -175.4 | 179.9 | -177 | 0 | 109 | E4 K8 | E4-K6 PolarHBondContact O-N 3.4Å; K6-K8 PolarHBondContact O-N 3.07Å; K6-K8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | T | 76.7 | Confident | 74.2 | Confident | 145 Ų | 145 | 135.3 Ų | 135.3 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | trans | -68 | 107.4 | 176.3 | 49.9 | 0 | 0 | 0 | 0 | 109.2 | R5 | R5-T7 PolarHBondContact O-N 3.03Š| ||
| 8 | K | 81.2 | Confident | 75 | Confident | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 144 | 176.1 | -66.7 | -174.4 | 178.8 | -174.7 | 0 | 110.3 | K6 | K6-K8 PolarHBondContact O-N 3.07Å; K6-K8 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 84.1 | Confident | 75.6 | Confident | 114 Ų | 114 | 131.4 Ų | 131.4 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 155.6 | 172.5 | -63.4 | 175.9 | 0 | 0 | 0 | 110.8 | L13 L14 | L9-L13 HydrophobicContact CB-CD2 4.46Å; L9-L13 HydrophobicContact CD1-CD2 4.48Å; L9-L13 HydrophobicContact CD2-CD2 4.12Å; L9-L14 HydrophobicContact CB-CD1 4.37Å; L9-L14 HydrophobicContact CD1-CD1 4.43Å |
| 10 | S | 87.9 | Confident | 76.1 | Confident | 73 Ų | 73 | 129.4 Ų | 129.4 | 51% | 0.51 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 147.9 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | N12 L13 L14 | S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 PolarHBondContact O-N 3.21Å; S10-L13 PolarHBondContact O-N 3.27Å; S10-L13 WeakPolarHBondContact OG-CB 3.15Å; S10-L13 PolarHBondContact OG-N 3.39Å; S10-L14 PolarHBondContact O-N 3.13Å |
| 11 | K | 84.9 | Confident | 76.5 | Confident | 113 Ų | 113 | 134.8 Ų | 134.8 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -60.4 | -38.2 | 179.8 | -65.1 | -176.7 | 173.5 | -169.7 | 0 | 112.8 | L13 L14 R15 L31 E34 | K11-L13 VanDerWaalsContact C-N 3.34Å; K11-L13 PolarHBondContact O-N 3.43Å; K11-L14 WeakPolarHBondContact O-CB 3.4Å; K11-L14 PolarHBondContact O-N 3.18Å; K11-R15 WeakPolarHBondContact O-CB 3.23Å; K11-R15 PolarHBondContact O-N 3.41Å; K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.45Å; K11-E34 IonicContact NZ-OE1 3.06Å; K11-E34 PolarHBondContact NZ-OE1 3.21Å; K11-E34 IonicContact NZ-OE2 2.74Å; K11-E34 PolarHBondContact NZ-OE2 3.01Å |
| 12 | N | 86.6 | Confident | 78.7 | Confident | 124 Ų | 124 | 126.6 Ų | 126.6 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 177.1 | -72.8 | -10.4 | 0 | 0 | 0 | 112.5 | S10 M16 | S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 PolarHBondContact O-N 3.21Å; N12-M16 WeakPolarHBondContact O-CE 3.49Å |
| 13 | L | 87.1 | Confident | 80.4 | Confident | 69 Ų | 69 | 123.1 Ų | 123.1 | 36% | 0.361 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.4 | -42.5 | 174.7 | -177.2 | 65.4 | 0 | 0 | 0 | 110.8 | L9 S10 K11 R15 M16 F18 M19 | L9-L13 HydrophobicContact CB-CD2 4.46Å; L9-L13 HydrophobicContact CD1-CD2 4.48Å; L9-L13 HydrophobicContact CD2-CD2 4.12Å; S10-L13 PolarHBondContact O-N 3.27Å; S10-L13 WeakPolarHBondContact OG-CB 3.15Å; S10-L13 PolarHBondContact OG-N 3.39Å; K11-L13 VanDerWaalsContact C-N 3.34Å; K11-L13 PolarHBondContact O-N 3.43Å; L13-R15 PolarHBondContact O-N 2.8Å; L13-M16 VanDerWaalsContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CG 3.4Å; L13-M16 PolarHBondContact O-N 3.5Å; L13-M16 VanDerWaalsContact O-N 3.09Å; L13-F18 HydrophobicContact CD1-CZ 4.23Å; L13-M19 WeakPolarHBondContact O-CG 3.48Å |
| 14 | L | 86.9 | Confident | 81.9 | Confident | 35 Ų | 35 | 123.8 Ų | 123.8 | 18% | 0.183 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -61.9 | -29.9 | 178.7 | -141.9 | 68.4 | 0 | 0 | 0 | 113.1 | L9 S10 K11 M16 L23 L31 | L9-L14 HydrophobicContact CB-CD1 4.37Å; L9-L14 HydrophobicContact CD1-CD1 4.43Å; S10-L14 PolarHBondContact O-N 3.13Å; K11-L14 WeakPolarHBondContact O-CB 3.4Å; K11-L14 PolarHBondContact O-N 3.18Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.36Å; L14-L23 HydrophobicContact CD1-CD1 3.47Å; L14-L23 VanDerWaalsContact CD1-CD1 3.47Å; L14-L23 HydrophobicContact CD1-CG 4.43Å; L14-L23 HydrophobicContact CD2-CD1 4.14Å; L14-L23 HydrophobicContact CD2-CD2 3.86Å; L14-L23 HydrophobicContact CD2-CG 4.33Å; L14-L23 HydrophobicContact CG-CD1 3.4Å; L14-L23 HydrophobicContact CG-CD2 3.86Å; L14-L23 HydrophobicContact CG-CG 4.09Å; L14-L31 HydrophobicContact CB-CD1 4.18Å; L14-L31 HydrophobicContact CD2-CD1 4.2Å; L14-L31 HydrophobicContact CG-CD1 4.34Å |
| 15 | R | 84.7 | Confident | 83 | Confident | 117 Ų | 117 | 119.2 Ų | 119.2 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -18.1 | 176.7 | -163.9 | 174 | -176.6 | -163.5 | -1.2 | 113.4 | K11 L13 Q20 E35 | K11-R15 WeakPolarHBondContact O-CB 3.23Å; K11-R15 PolarHBondContact O-N 3.41Å; L13-R15 PolarHBondContact O-N 2.8Å; R15-Q20 PolarHBondContact O-NE2 3.37Å; R15-Q20 VanDerWaalsContact O-NE2 3.07Å; R15-E35 IonicContact CZ-OE1 3.7Å; R15-E35 IonicContact NE-OE1 3.39Å; R15-E35 PolarHBondContact NE-OE1 2.89Å; R15-E35 IonicContact NH2-OE1 2.72Å; R15-E35 PolarHBondContact NH2-OE1 2.89Å |
| 16 | M | 89.9 | Confident | 83.6 | Confident | 88 Ų | 88 | 114.6 Ų | 114.6 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -64 | 138.5 | -178.8 | -65 | -66.7 | 104.4 | 0 | 0 | 111.9 | N12 L13 L14 F18 M19 Q20 | N12-M16 WeakPolarHBondContact O-CE 3.49Å; L13-M16 VanDerWaalsContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CG 3.4Å; L13-M16 PolarHBondContact O-N 3.5Å; L13-M16 VanDerWaalsContact O-N 3.09Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.36Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.83Å; M16-F18 HydrophobicContact CG-CE1 3.78Å; M16-F18 HydrophobicContact CG-CZ 4.13Å; M16-F18 PolarHBondContact O-N 3.22Å; M16-M19 WeakPolarHBondContact O-CB 3.29Å; M16-M19 PolarHBondContact O-N 3.36Å; M16-Q20 PolarHBondContact O-N 3.03Å |
| 17 | K | 88.9 | Confident | 84.3 | Confident | 179 Ų | 179 | 107.9 Ų | 107.9 | 78% | 0.778 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -35.1 | -175.7 | -67.8 | -175.5 | 177.6 | -179.5 | 0 | 114.1 | Q20 | K17-Q20 PolarHBondContact O-N 2.61Š|
| 18 | F | 88.5 | Confident | 84.7 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 60% | 0.601 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.1 | -179.9 | 65.2 | -93.1 | 0 | 0 | 0 | 113.4 | L13 M16 | L13-F18 HydrophobicContact CD1-CZ 4.23Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.83Å; M16-F18 HydrophobicContact CG-CE1 3.78Å; M16-F18 HydrophobicContact CG-CZ 4.13Å; M16-F18 PolarHBondContact O-N 3.22Å |
| 19 | M | 87.8 | Confident | 84.9 | Confident | 60 Ų | 60 | 102.2 Ų | 102.2 | 30% | 0.296 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -26.1 | 174 | -68.2 | -75.2 | 93.2 | 0 | 0 | 112.1 | L13 M16 R21 G22 L23 | L13-M19 WeakPolarHBondContact O-CG 3.48Å; M16-M19 WeakPolarHBondContact O-CB 3.29Å; M16-M19 PolarHBondContact O-N 3.36Å; M19-R21 VanDerWaalsContact C-N 3.28Å; M19-R21 PolarHBondContact O-N 3.4Å; M19-G22 PolarHBondContact O-N 3.22Å; M19-L23 HydrophobicContact CB-CD1 4.36Å; M19-L23 VanDerWaalsContact O-CD1 3.3Å; M19-L23 WeakPolarHBondContact O-CD1 3.32Å; M19-L23 PolarHBondContact O-N 2.85Å |
| 20 | Q | 84.6 | Confident | 85 | Confident | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.3 | -175.4 | -68.2 | -178.9 | -5.3 | 0 | 0 | 115.1 | R15 M16 K17 | R15-Q20 PolarHBondContact O-NE2 3.37Å; R15-Q20 VanDerWaalsContact O-NE2 3.07Å; M16-Q20 PolarHBondContact O-N 3.03Å; K17-Q20 PolarHBondContact O-N 2.61Å |
| 21 | R | 85.4 | Confident | 84.9 | Confident | 244 Ų | 244 | 99.9 Ų | 99.9 | 92% | 0.921 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -33.2 | -179.9 | -72.4 | -176.3 | 177.5 | 177.1 | -1 | 113.4 | M19 | M19-R21 VanDerWaalsContact C-N 3.28Å; M19-R21 PolarHBondContact O-N 3.4Å |
| 22 | G | 80.8 | Confident | 85 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 75% | 0.753 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -100.8 | 10.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M19 | M19-G22 PolarHBondContact O-N 3.22Š|
| 23 | L | 83.1 | Confident | 85 | Confident | 31 Ų | 31 | 97.1 Ų | 97.1 | 16% | 0.162 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -82 | 140.3 | -178.5 | -129.7 | 86.6 | 0 | 0 | 0 | 111.4 | L14 M19 S25 T27 K28 L31 | L14-L23 HydrophobicContact CD1-CD1 3.47Å; L14-L23 VanDerWaalsContact CD1-CD1 3.47Å; L14-L23 HydrophobicContact CD1-CG 4.43Å; L14-L23 HydrophobicContact CD2-CD1 4.14Å; L14-L23 HydrophobicContact CD2-CD2 3.86Å; L14-L23 HydrophobicContact CD2-CG 4.33Å; L14-L23 HydrophobicContact CG-CD1 3.4Å; L14-L23 HydrophobicContact CG-CD2 3.86Å; L14-L23 HydrophobicContact CG-CG 4.09Å; M19-L23 HydrophobicContact CB-CD1 4.36Å; M19-L23 VanDerWaalsContact O-CD1 3.3Å; M19-L23 WeakPolarHBondContact O-CD1 3.32Å; M19-L23 PolarHBondContact O-N 2.85Å; L23-S25 PolarHBondContact O-N 3.4Å; L23-T27 WeakPolarHBondContact CD2-OG1 3.24Å; L23-T27 VanDerWaalsContact CG-OG1 3.29Å; L23-T27 WeakPolarHBondContact CG-OG1 3.45Å; L23-K28 HydrophobicContact CD2-CB 4.24Å; L23-L31 HydrophobicContact CD2-CD1 4.21Å |
| 24 | D | 82.4 | Confident | 85 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | trans | -60.6 | 136.1 | 168.7 | -65.5 | -33.5 | 0 | 0 | 0 | 109.9 | E26 T27 K28 | D24-E26 PolarHBondContact O-N 2.84Å; D24-E26 VanDerWaalsContact O-N 3.1Å; D24-T27 HydrophobicContact CB-CG2 4.37Å; D24-T27 PolarHBondContact N-OG1 3.26Å; D24-T27 PolarHBondContact O-N 3.01Å; D24-T27 PolarHBondContact O-OG1 3.43Å; D24-K28 PolarHBondContact O-N 2.93Å | ||
| 25 | S | 79.1 | Confident | 84.8 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 58% | 0.58 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.7 | -33.2 | -178.2 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | L23 K28 K29 | L23-S25 PolarHBondContact O-N 3.4Å; S25-K28 PolarHBondContact O-N 3.11Å; S25-K29 WeakPolarHBondContact O-CG 3.44Å; S25-K29 PolarHBondContact O-N 3.05Å |
| 26 | E | 77.5 | Confident | 84.9 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 176 | -61 | -171.8 | 164.5 | 0 | 0 | 112.4 | D24 K28 K29 Q30 | D24-E26 PolarHBondContact O-N 2.84Å; D24-E26 VanDerWaalsContact O-N 3.1Å; E26-K28 VanDerWaalsContact C-N 3.3Å; E26-K28 PolarHBondContact O-N 3.46Å; E26-K29 PolarHBondContact O-N 3.12Å; E26-Q30 WeakPolarHBondContact O-CG 3.26Å; E26-Q30 PolarHBondContact O-N 3.34Å; E26-Q30 VanDerWaalsContact O-N 3.09Å |
| 27 | T | 81.9 | Confident | 84.7 | Confident | 42 Ų | 42 | 101.8 Ų | 101.8 | 26% | 0.258 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -31.5 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | L23 D24 L31 | L23-T27 WeakPolarHBondContact CD2-OG1 3.24Å; L23-T27 VanDerWaalsContact CG-OG1 3.29Å; L23-T27 WeakPolarHBondContact CG-OG1 3.45Å; D24-T27 HydrophobicContact CB-CG2 4.37Å; D24-T27 PolarHBondContact N-OG1 3.26Å; D24-T27 PolarHBondContact O-N 3.01Å; D24-T27 PolarHBondContact O-OG1 3.43Å; T27-L31 WeakPolarHBondContact O-CG 3.35Å; T27-L31 PolarHBondContact O-N 3.11Å |
| 28 | K | 84.6 | Confident | 84.4 | Confident | 91 Ų | 91 | 98 Ų | 98 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 174.4 | -170.7 | -175.6 | -179.2 | -159.5 | 0 | 111.1 | L23 D24 S25 E26 Q30 L31 E32 | L23-K28 HydrophobicContact CD2-CB 4.24Å; D24-K28 PolarHBondContact O-N 2.93Å; S25-K28 PolarHBondContact O-N 3.11Å; E26-K28 VanDerWaalsContact C-N 3.3Å; E26-K28 PolarHBondContact O-N 3.46Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.19Å; K28-L31 PolarHBondContact O-N 3.45Å; K28-E32 WeakPolarHBondContact CE-OE1 3.48Å; K28-E32 IonicContact NZ-OE1 2.89Å; K28-E32 WeakPolarHBondContact O-CG 3.41Å; K28-E32 PolarHBondContact O-N 3.36Å |
| 29 | K | 86.7 | Confident | 84.1 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 175.6 | -76 | 177 | 179.2 | -177.1 | 0 | 112 | S25 E26 L31 E32 E33 | S25-K29 WeakPolarHBondContact O-CG 3.44Å; S25-K29 PolarHBondContact O-N 3.05Å; E26-K29 PolarHBondContact O-N 3.12Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.36Å; K29-E32 PolarHBondContact O-N 3.09Å; K29-E33 WeakPolarHBondContact O-CB 3.38Å; K29-E33 WeakPolarHBondContact O-CG 3.29Å; K29-E33 PolarHBondContact O-N 3.39Å |
| 30 | Q | 85.6 | Confident | 83.8 | Confident | 109 Ų | 109 | 97.3 Ų | 97.3 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.1 | -71.6 | 171.7 | 15.3 | 0 | 0 | 112.5 | E26 K28 E33 E34 | E26-Q30 WeakPolarHBondContact O-CG 3.26Å; E26-Q30 PolarHBondContact O-N 3.34Å; E26-Q30 VanDerWaalsContact O-N 3.09Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.19Å; Q30-E33 PolarHBondContact O-N 3.15Å; Q30-E34 WeakPolarHBondContact O-CG 3.32Å; Q30-E34 PolarHBondContact O-N 3.24Å |
| 31 | L | 85.4 | Confident | 83.7 | Confident | 30 Ų | 30 | 99.6 Ų | 99.6 | 16% | 0.157 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.9 | -42 | 176.5 | -69.5 | 174.8 | 0 | 0 | 0 | 112.1 | K11 L14 L23 T27 K28 K29 E33 E34 E35 | K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.45Å; L14-L31 HydrophobicContact CB-CD1 4.18Å; L14-L31 HydrophobicContact CD2-CD1 4.2Å; L14-L31 HydrophobicContact CG-CD1 4.34Å; L23-L31 HydrophobicContact CD2-CD1 4.21Å; T27-L31 WeakPolarHBondContact O-CG 3.35Å; T27-L31 PolarHBondContact O-N 3.11Å; K28-L31 PolarHBondContact O-N 3.45Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.36Å; L31-E33 VanDerWaalsContact C-N 3.35Å; L31-E34 PolarHBondContact O-N 2.85Å; L31-E35 WeakPolarHBondContact O-CG 2.98Å; L31-E35 PolarHBondContact O-N 3.49Å |
| 32 | E | 86.8 | Confident | 83.8 | Confident | 75 Ų | 75 | 95.4 Ų | 95.4 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -38 | 176.6 | -71.6 | 175.4 | -169.7 | 0 | 0 | 111.9 | K28 K29 E35 K36 | K28-E32 WeakPolarHBondContact CE-OE1 3.48Å; K28-E32 IonicContact NZ-OE1 2.89Å; K28-E32 WeakPolarHBondContact O-CG 3.41Å; K28-E32 PolarHBondContact O-N 3.36Å; K29-E32 PolarHBondContact O-N 3.09Å; E32-E35 PolarHBondContact O-N 3.26Å; E32-K36 WeakPolarHBondContact O-CB 3.36Å; E32-K36 VanDerWaalsContact O-CG 3.29Å; E32-K36 WeakPolarHBondContact O-CG 3.06Å; E32-K36 PolarHBondContact O-N 3.4Å |
| 33 | E | 88.4 | Confident | 83.9 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 174 | -75.6 | 171.3 | -160.5 | 0 | 0 | 112 | K29 Q30 L31 E35 K36 K37 | K29-E33 WeakPolarHBondContact O-CB 3.38Å; K29-E33 WeakPolarHBondContact O-CG 3.29Å; K29-E33 PolarHBondContact O-N 3.39Å; Q30-E33 PolarHBondContact O-N 3.15Å; L31-E33 VanDerWaalsContact C-N 3.35Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E33-K36 PolarHBondContact O-N 3Å; E33-K37 WeakPolarHBondContact O-CB 3.24Å; E33-K37 VanDerWaalsContact O-CG 3.24Å; E33-K37 WeakPolarHBondContact O-CG 3.41Å; E33-K37 PolarHBondContact O-N 3.42Å |
| 34 | E | 85.4 | Confident | 84.1 | Confident | 75 Ų | 75 | 104.8 Ų | 104.8 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.1 | -75.3 | 178 | -174.4 | 0 | 0 | 111.7 | K11 Q30 L31 K37 M38 | K11-E34 IonicContact NZ-OE1 3.06Å; K11-E34 PolarHBondContact NZ-OE1 3.21Å; K11-E34 IonicContact NZ-OE2 2.74Å; K11-E34 PolarHBondContact NZ-OE2 3.01Å; Q30-E34 WeakPolarHBondContact O-CG 3.32Å; Q30-E34 PolarHBondContact O-N 3.24Å; L31-E34 PolarHBondContact O-N 2.85Å; E34-K37 PolarHBondContact O-N 3.46Å; E34-M38 WeakPolarHBondContact O-CG 3.45Å; E34-M38 PolarHBondContact O-N 3.41Å |
| 35 | E | 83.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 107.5 Ų | 107.5 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 172.9 | -72.7 | -178.2 | 163.8 | 0 | 0 | 112 | R15 L31 E32 E33 K37 M38 I39 | R15-E35 IonicContact CZ-OE1 3.7Å; R15-E35 IonicContact NE-OE1 3.39Å; R15-E35 PolarHBondContact NE-OE1 2.89Å; R15-E35 IonicContact NH2-OE1 2.72Å; R15-E35 PolarHBondContact NH2-OE1 2.89Å; L31-E35 WeakPolarHBondContact O-CG 2.98Å; L31-E35 PolarHBondContact O-N 3.49Å; E32-E35 PolarHBondContact O-N 3.26Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 3.07Å; E35-M38 PolarHBondContact O-N 2.99Å; E35-I39 WeakPolarHBondContact O-CG1 3.49Å; E35-I39 PolarHBondContact O-N 3.05Å |
| 36 | K | 86.3 | Confident | 84.1 | Confident | 139 Ų | 139 | 109.4 Ų | 109.4 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -36.2 | 176 | -74.6 | 175.8 | -178.3 | -178.9 | 0 | 112.2 | E32 E33 I39 S40 | E32-K36 WeakPolarHBondContact O-CB 3.36Å; E32-K36 VanDerWaalsContact O-CG 3.29Å; E32-K36 WeakPolarHBondContact O-CG 3.06Å; E32-K36 PolarHBondContact O-N 3.4Å; E33-K36 PolarHBondContact O-N 3Å; K36-I39 PolarHBondContact O-N 2.99Å; K36-S40 VanDerWaalsContact O-CB 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.45Å; K36-S40 PolarHBondContact O-N 3.32Å |
| 37 | K | 86.4 | Confident | 84.1 | Confident | 127 Ų | 127 | 107.8 Ų | 107.8 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -48.4 | 174 | -78 | 173.3 | -177.7 | 180 | 0 | 111.2 | E33 E34 E35 I39 S40 D41 | E33-K37 WeakPolarHBondContact O-CB 3.24Å; E33-K37 VanDerWaalsContact O-CG 3.24Å; E33-K37 WeakPolarHBondContact O-CG 3.41Å; E33-K37 PolarHBondContact O-N 3.42Å; E34-K37 PolarHBondContact O-N 3.46Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 3.07Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.44Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 PolarHBondContact O-N 2.71Å; K37-S40 VanDerWaalsContact O-N 3.12Å; K37-D41 WeakPolarHBondContact O-CB 3.38Å; K37-D41 PolarHBondContact O-N 3.25Å |
| 38 | M | 81.5 | Confident | 84 | Confident | 101 Ų | 101 | 110 Ų | 110 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 176.1 | -71.2 | -167.4 | -65.5 | 0 | 0 | 112 | E34 E35 D41 E42 | E34-M38 WeakPolarHBondContact O-CG 3.45Å; E34-M38 PolarHBondContact O-N 3.41Å; E35-M38 PolarHBondContact O-N 2.99Å; M38-D41 PolarHBondContact O-N 3.02Å; M38-E42 WeakPolarHBondContact O-CG 3.29Å; M38-E42 PolarHBondContact O-N 3.1Å; M38-E42 VanDerWaalsContact O-N 3.11Å |
| 39 | I | 83.5 | Confident | 83.7 | Confident | 110 Ų | 110 | 110.7 Ų | 110.7 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 176.7 | -64.3 | 163.6 | 0 | 0 | 0 | 111 | E35 K36 K37 D41 E42 H43 | E35-I39 WeakPolarHBondContact O-CG1 3.49Å; E35-I39 PolarHBondContact O-N 3.05Å; K36-I39 PolarHBondContact O-N 2.99Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.44Å; I39-D41 VanDerWaalsContact C-N 3.33Å; I39-E42 PolarHBondContact O-N 3.18Å; I39-H43 VanDerWaalsContact O-CB 3.24Å; I39-H43 WeakPolarHBondContact O-CB 3.47Å; I39-H43 PolarHBondContact O-N 3.42Å |
| 40 | S | 79.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 111.6 Ų | 111.6 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 177.9 | -174 | 0 | 0 | 0 | 0 | 112.5 | K36 K37 E42 H43 | K36-S40 VanDerWaalsContact O-CB 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.45Å; K36-S40 PolarHBondContact O-N 3.32Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 PolarHBondContact O-N 2.71Å; K37-S40 VanDerWaalsContact O-N 3.12Å; S40-E42 VanDerWaalsContact C-N 3.32Å; S40-H43 PolarHBondContact O-N 3.48Å |
| 41 | D | 84.2 | Confident | 82.2 | Confident | 138 Ų | 138 | 112.9 Ų | 112.9 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.2 | -31.1 | 179.1 | -67.3 | -15.9 | 0 | 0 | 0 | 111 | K37 M38 I39 | K37-D41 WeakPolarHBondContact O-CB 3.38Å; K37-D41 PolarHBondContact O-N 3.25Å; M38-D41 PolarHBondContact O-N 3.02Å; I39-D41 VanDerWaalsContact C-N 3.33Å |
| 42 | E | 86 | Confident | 81.2 | Confident | 155 Ų | 155 | 117.3 Ų | 117.3 | 72% | 0.724 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -81.5 | -22.5 | 173.6 | -70.1 | 175.6 | -174.9 | 0 | 0 | 113.2 | M38 I39 S40 W44 | M38-E42 WeakPolarHBondContact O-CG 3.29Å; M38-E42 PolarHBondContact O-N 3.1Å; M38-E42 VanDerWaalsContact O-N 3.11Å; I39-E42 PolarHBondContact O-N 3.18Å; S40-E42 VanDerWaalsContact C-N 3.32Å; E42-W44 PolarHBondContact O-N 3.36Å; E42-W44 VanDerWaalsContact O-N 3.11Å |
| 43 | H | 84.4 | Confident | 80.3 | Confident | 101 Ų | 101 | 122.5 Ų | 122.5 | 47% | 0.468 | 58% | 0.584 | S | S | . | * | trans | -79.8 | 96.9 | -177.7 | -167.8 | 75.4 | 0 | 0 | 0 | 110.6 | I39 S40 Y45 | I39-H43 VanDerWaalsContact O-CB 3.24Å; I39-H43 WeakPolarHBondContact O-CB 3.47Å; I39-H43 PolarHBondContact O-N 3.42Å; S40-H43 PolarHBondContact O-N 3.48Å; H43-Y45 AromaticContact CD2-CE1 3.56Å; H43-Y45 AromaticContact CD2-CE2 3.48Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.48Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.22Å; H43-Y45 AromaticContact CD2-CZ 3.15Å; H43-Y45 PolarHBondContact CD2-OH 3.32Å; H43-Y45 VanDerWaalsContact CD2-OH 3.22Å; H43-Y45 AromaticContact NE2-CD1 3.96Å; H43-Y45 AromaticContact NE2-CE1 3.29Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.29Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.47Å; H43-Y45 AromaticContact NE2-CZ 3.41Å; H43-Y45 PolarHBondContact NE2-OH 3.45Å | ||
| 44 | W | 86.3 | Confident | 79.7 | Confident | 201 Ų | 201 | 124.5 Ų | 124.5 | 76% | 0.761 | 59% | 0.591 | S | S | * | * | trans | -83.2 | 140.8 | 174.2 | 64.1 | -84.6 | 0 | 0 | 0 | 110.7 | E42 L46 | E42-W44 PolarHBondContact O-N 3.36Å; E42-W44 VanDerWaalsContact O-N 3.11Å; W44-L46 HydrophobicContact CZ3-CB 3.99Å | ||
| 45 | Y | 78.7 | Confident | 79.2 | Confident | 175 Ų | 175 | 128.7 Ų | 128.7 | 69% | 0.686 | 61% | 0.611 | S | S | * | * | trans | -107.3 | 140.7 | 174 | -66 | -84.4 | 0 | 0 | 0 | 110.3 | H43 | H43-Y45 AromaticContact CD2-CE1 3.56Å; H43-Y45 AromaticContact CD2-CE2 3.48Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.48Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.22Å; H43-Y45 AromaticContact CD2-CZ 3.15Å; H43-Y45 PolarHBondContact CD2-OH 3.32Å; H43-Y45 VanDerWaalsContact CD2-OH 3.22Å; H43-Y45 AromaticContact NE2-CD1 3.96Å; H43-Y45 AromaticContact NE2-CE1 3.29Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.29Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.47Å; H43-Y45 AromaticContact NE2-CZ 3.41Å; H43-Y45 PolarHBondContact NE2-OH 3.45Å | ||
| 46 | L | 83.2 | Confident | 79 | Confident | 123 Ų | 123 | 129.1 Ų | 129.1 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | trans | -97.7 | 108.6 | 167.8 | -172.2 | 61.7 | 0 | 0 | 0 | 109.5 | W44 L48 | W44-L46 HydrophobicContact CZ3-CB 3.99Å; L46-L48 HydrophobicContact CD2-CD1 4.33Å; L46-L48 HydrophobicContact CD2-CD2 4.19Å; L46-L48 HydrophobicContact CD2-CG 4.21Å; L46-L48 HydrophobicContact CG-CD2 4.25Å; L46-L48 HydrophobicContact CG-CG 4.14Å; L46-L48 PolarHBondContact O-N 2.96Å | ||
| 47 | D | 77.2 | Confident | 78.8 | Confident | 106 Ų | 106 | 132.1 Ų | 132.1 | 57% | 0.567 | 64% | 0.635 | S | S | * | * | trans | -78.3 | 102.9 | 176.8 | -84.3 | -12.8 | 0 | 0 | 0 | 110.6 | P49 K52 | D47-P49 WeakPolarHBondContact O-CD 3.3Å; D47-K52 VanDerWaalsContact CB-CE 3.49Å; D47-K52 WeakPolarHBondContact OD1-CE 3.46Å; D47-K52 IonicContact OD1-NZ 3.2Å; D47-K52 PolarHBondContact OD1-NZ 3.23Å; D47-K52 IonicContact OD2-NZ 2.78Å; D47-K52 PolarHBondContact OD2-NZ 3.23Å | ||
| 48 | L | 80.3 | Confident | 78.8 | Confident | 88 Ų | 88 | 132.4 Ų | 132.4 | 46% | 0.461 | 64% | 0.64 | S | S | . | * | trans | -102.8 | 100.8 | 171.1 | -65.3 | 175.3 | 0 | 0 | 0 | 109.6 | L46 E50 F51 K52 | L46-L48 HydrophobicContact CD2-CD1 4.33Å; L46-L48 HydrophobicContact CD2-CD2 4.19Å; L46-L48 HydrophobicContact CD2-CG 4.21Å; L46-L48 HydrophobicContact CG-CD2 4.25Å; L46-L48 HydrophobicContact CG-CG 4.14Å; L46-L48 PolarHBondContact O-N 2.96Å; L48-E50 PolarHBondContact O-N 3.45Å; L48-F51 HydrophobicContact CB-CB 4.44Å; L48-F51 HydrophobicContact CB-CD2 4.15Å; L48-F51 HydrophobicContact CD1-CD2 4.29Å; L48-F51 PolarHBondContact O-N 2.7Å; L48-K52 WeakPolarHBondContact O-CG 3.43Å; L48-K52 PolarHBondContact O-N 3.23Å | ||
| 49 | P | 77.5 | Confident | 79 | Confident | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -29.6 | -175 | -25.3 | 34 | 0 | 0 | 0 | 114.2 | D47 F51 | D47-P49 WeakPolarHBondContact O-CD 3.3Å; P49-F51 VanDerWaalsContact C-N 3.29Å; P49-F51 PolarHBondContact O-N 2.74Å |
| 50 | E | 74.8 | Confident | 79.2 | Confident | 143 Ų | 143 | 136.8 Ų | 136.8 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -17.9 | -179 | -63.1 | -177 | 175.5 | 0 | 0 | 114.5 | L48 K54 | L48-E50 PolarHBondContact O-N 3.45Å; E50-K54 VanDerWaalsContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CD 3.37Å; E50-K54 VanDerWaalsContact O-CE 3.23Å; E50-K54 WeakPolarHBondContact O-CE 3.42Å; E50-K54 PolarHBondContact O-NZ 3.3Å |
| 51 | F | 67 | Low | 79.4 | Confident | 135 Ų | 135 | 138.9 Ų | 138.9 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -8.4 | -176 | -68.9 | -80.6 | 0 | 0 | 0 | 113.4 | L48 P49 E53 K54 | L48-F51 HydrophobicContact CB-CB 4.44Å; L48-F51 HydrophobicContact CB-CD2 4.15Å; L48-F51 HydrophobicContact CD1-CD2 4.29Å; L48-F51 PolarHBondContact O-N 2.7Å; P49-F51 VanDerWaalsContact C-N 3.29Å; P49-F51 PolarHBondContact O-N 2.74Å; F51-E53 PolarHBondContact O-N 3.45Å; F51-K54 PolarHBondContact O-N 3.43Å |
| 52 | K | 64.9 | Low | 79.6 | Confident | 123 Ų | 123 | 141.6 Ų | 141.6 | 54% | 0.535 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -29 | 179.5 | -80.4 | -174.8 | 177 | -167.2 | 0 | 113.8 | D47 L48 | D47-K52 VanDerWaalsContact CB-CE 3.49Å; D47-K52 WeakPolarHBondContact OD1-CE 3.46Å; D47-K52 IonicContact OD1-NZ 3.2Å; D47-K52 PolarHBondContact OD1-NZ 3.23Å; D47-K52 IonicContact OD2-NZ 2.78Å; D47-K52 PolarHBondContact OD2-NZ 3.23Å; L48-K52 WeakPolarHBondContact O-CG 3.43Å; L48-K52 PolarHBondContact O-N 3.23Å |
| 53 | E | 66.8 | Low | 79.6 | Confident | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -3.1 | -174 | -62.3 | 178 | -176.9 | 0 | 0 | 112.9 | F51 E55 | F51-E53 PolarHBondContact O-N 3.45Å; E53-E55 PolarHBondContact O-N 3.41Å |
| 54 | K | 74.9 | Confident | 79.6 | Confident | 145 Ų | 145 | 139 Ų | 139 | 63% | 0.63 | 66% | 0.662 | S | S | * | * | trans | -99.1 | 83.2 | -177 | -65.3 | -176.9 | -171.8 | 160.3 | 0 | 109.5 | E50 F51 | E50-K54 VanDerWaalsContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CD 3.37Å; E50-K54 VanDerWaalsContact O-CE 3.23Å; E50-K54 WeakPolarHBondContact O-CE 3.42Å; E50-K54 PolarHBondContact O-NZ 3.3Å; F51-K54 PolarHBondContact O-N 3.43Å | ||
| 55 | E | 75.5 | Confident | 79.4 | Confident | 162 Ų | 162 | 133.1 Ų | 133.1 | 76% | 0.757 | 65% | 0.652 | S | S | * | * | trans | -65.4 | 150.2 | 162.8 | -165.7 | 55.4 | -118.9 | 0 | 0 | 109.5 | E53 F57 | E53-E55 PolarHBondContact O-N 3.41Å; E55-F57 PolarHBondContact O-N 2.84Å; E55-F57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | S | 79.8 | Confident | 79.6 | Confident | 76 Ų | 76 | 130.7 Ų | 130.7 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | trans | -64.8 | 116.3 | 178.9 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | I58 | S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.96Å | ||
| 57 | F | 82.1 | Confident | 79.5 | Confident | 202 Ų | 202 | 130.4 Ų | 130.4 | 89% | 0.886 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -67.2 | -30.3 | -179 | -174.3 | -107 | 0 | 0 | 0 | 112.5 | E55 | E55-F57 PolarHBondContact O-N 2.84Å; E55-F57 VanDerWaalsContact O-N 3.13Å |
| 58 | I | 87.4 | Confident | 79.5 | Confident | 132 Ų | 132 | 130.7 Ų | 130.7 | 68% | 0.677 | 66% | 0.655 | S | S | * | * | trans | -134 | 130.4 | 177.3 | -59.4 | 164.3 | 0 | 0 | 0 | 107.5 | S56 | S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.96Å | ||
| 59 | I | 86 | Confident | 79.5 | Confident | 117 Ų | 117 | 133.5 Ų | 133.5 | 60% | 0.6 | 67% | 0.67 | S | S | * | * | trans | -114.4 | 118.8 | 176 | -57.7 | 172.8 | 0 | 0 | 0 | 106.8 | E61 | I59-E61 HydrophobicContact CG2-CG 4.02Å; I59-E61 PolarHBondContact O-N 3.09Å | ||
| 60 | E | 86.1 | Confident | 79.8 | Confident | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 66% | 0.659 | S | S | * | * | trans | -83.6 | 106.3 | 174.6 | -67.5 | -178.7 | -178.3 | 0 | 0 | 109 | ||||
| 61 | E | 85.2 | Confident | 80.3 | Confident | 117 Ų | 117 | 131.1 Ų | 131.1 | 55% | 0.547 | 66% | 0.655 | S | S | . | * | trans | -102.9 | 133.7 | 172.2 | -69.2 | -154.3 | -171.6 | 0 | 0 | 111.2 | I59 S63 L66 | I59-E61 HydrophobicContact CG2-CG 4.02Å; I59-E61 PolarHBondContact O-N 3.09Å; E61-S63 VanDerWaalsContact C-N 3.29Å; E61-L66 VanDerWaalsContact CD-CD1 3.45Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.3Å | ||
| 62 | Q | 88.1 | Confident | 81.3 | Confident | 194 Ų | 194 | 128.4 Ų | 128.4 | 91% | 0.907 | 64% | 0.642 | S | S | * | * | trans | -85.8 | -4.2 | 176 | -63.2 | -177.7 | -6.4 | 0 | 0 | 112.8 | ||||
| 63 | S | 86.3 | Confident | 82.4 | Confident | 54 Ų | 54 | 125.5 Ų | 125.5 | 38% | 0.378 | 65% | 0.647 | S | S | . | * | trans | -88 | 126.3 | -175.3 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | E61 S65 | E61-S63 VanDerWaalsContact C-N 3.29Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 PolarHBondContact OG-N 3.31Å; S63-S65 PolarHBondContact OG-OG 3.39Å | ||
| 64 | F | 84.8 | Confident | 83.5 | Confident | 147 Ų | 147 | 123.8 Ų | 123.8 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -76.3 | -14.4 | 172.7 | -63.3 | -76.1 | 0 | 0 | 0 | 113.1 | L66 C67 E68 | F64-L66 PolarHBondContact O-N 2.76Å; F64-L66 VanDerWaalsContact O-N 3.09Å; F64-C67 PolarHBondContact O-N 3.34Å; F64-E68 PolarHBondContact O-N 3.21Å |
| 65 | S | 81.9 | Confident | 84.1 | Confident | 79 Ų | 79 | 121.8 Ų | 121.8 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -60.8 | -22 | -176.6 | -50.7 | 0 | 0 | 0 | 0 | 114.8 | S63 | S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 PolarHBondContact OG-N 3.31Å; S63-S65 PolarHBondContact OG-OG 3.39Å |
| 66 | L | 81.8 | Confident | 84.7 | Confident | 124 Ų | 124 | 114.7 Ų | 114.7 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -84.6 | -27.5 | 175.3 | -64.7 | -173 | 0 | 0 | 0 | 112.7 | E61 F64 | E61-L66 VanDerWaalsContact CD-CD1 3.45Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.3Å; F64-L66 PolarHBondContact O-N 2.76Å; F64-L66 VanDerWaalsContact O-N 3.09Å |
| 67 | C | 80.4 | Confident | 85.1 | Confident | 116 Ų | 116 | 117.4 Ų | 117.4 | 78% | 0.784 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -27.5 | -174.7 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | F64 | F64-C67 PolarHBondContact O-N 3.34Š|
| 68 | E | 79.1 | Confident | 85.5 | Confident | 112 Ų | 112 | 120.1 Ų | 120.1 | 52% | 0.523 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -121.1 | 130.3 | -175.6 | -168.6 | 173.7 | -172.1 | 0 | 0 | 109.6 | F64 L70 | F64-E68 PolarHBondContact O-N 3.21Å; E68-L70 HydrophobicContact CB-CD2 4.39Å; E68-L70 HydrophobicContact CB-CG 4.17Å; E68-L70 HydrophobicContact CG-CD2 3.91Å; E68-L70 HydrophobicContact CG-CG 4.16Å; E68-L70 PolarHBondContact O-N 3Å |
| 69 | D | 79.6 | Confident | 85.5 | Confident | 147 Ų | 147 | 116 Ų | 116 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | trans | -74.6 | 63.5 | 179.2 | -69.4 | -39.7 | 0 | 0 | 0 | 111.6 | L71 | D69-L71 PolarHBondContact O-N 2.85Š| ||
| 70 | L | 84.1 | Confident | 85.7 | Confident | 87 Ų | 87 | 119.7 Ų | 119.7 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 129 | -175 | -67.2 | 171.6 | 0 | 0 | 0 | 111.3 | E68 | E68-L70 HydrophobicContact CB-CD2 4.39Å; E68-L70 HydrophobicContact CB-CG 4.17Å; E68-L70 HydrophobicContact CG-CD2 3.91Å; E68-L70 HydrophobicContact CG-CG 4.16Å; E68-L70 PolarHBondContact O-N 3Å |
| 71 | L | 85.4 | Confident | 85.9 | Confident | 114 Ų | 114 | 113.1 Ų | 113.1 | 60% | 0.597 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 159.3 | 173.1 | -64.7 | 173.3 | 0 | 0 | 0 | 111.5 | D69 G73 N92 | D69-L71 PolarHBondContact O-N 2.85Å; L71-G73 PolarHBondContact O-N 2.72Å; L71-G73 VanDerWaalsContact O-N 3.16Å; L71-N92 HydrophobicContact CD2-CB 4.14Å |
| 72 | Y | 88.3 | Confident | 86.2 | Confident | 77 Ų | 77 | 112 Ų | 112 | 30% | 0.302 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -62 | 116.1 | 172.7 | -173.4 | -111.4 | 0 | 0 | 0 | 111.1 | R74 L87 M91 N92 | Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.49Å; Y72-R74 HydrophobicContact CE1-CB 3.62Å; Y72-R74 PolarHBondContact O-N 3.38Å; Y72-L87 HydrophobicContact CE1-CD2 3.71Å; Y72-L87 HydrophobicContact CE1-CG 3.8Å; Y72-L87 VanDerWaalsContact OH-CD2 3.32Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.43Å; Y72-M91 HydrophobicContact CD1-CB 4.48Å; Y72-M91 HydrophobicContact CD2-CB 4.23Å; Y72-M91 HydrophobicContact CD2-CG 4.19Å; Y72-M91 HydrophobicContact CG-CB 3.93Å; Y72-M91 HydrophobicContact CG-CG 4.22Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.49Å; Y72-N92 PolarHBondContact N-OD1 3.49Å |
| 73 | G | 87 | Confident | 86.3 | Confident | 62 Ų | 62 | 110.1 Ų | 110.1 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -70.5 | -23.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L71 M75 | L71-G73 PolarHBondContact O-N 2.72Å; L71-G73 VanDerWaalsContact O-N 3.16Å; G73-M75 PolarHBondContact O-N 3.22Å |
| 74 | R | 89.2 | Confident | 86.5 | Confident | 149 Ų | 149 | 107.9 Ų | 107.9 | 56% | 0.562 | 55% | 0.553 | S | S | * | * | trans | -83.6 | 104.9 | 179.9 | -174.8 | 177.3 | 162.3 | 170.6 | -7.7 | 109.6 | Y72 V84 | Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.49Å; Y72-R74 HydrophobicContact CE1-CB 3.62Å; Y72-R74 PolarHBondContact O-N 3.38Å; R74-V84 HydrophobicContact CG-CG1 3.89Å; R74-V84 VanDerWaalsContact NH2-CG2 3.3Å | ||
| 75 | M | 87.4 | Confident | 86.7 | Confident | 103 Ų | 103 | 103.3 Ų | 103.3 | 51% | 0.507 | 53% | 0.533 | S | S | . | . | trans | -122 | 141.1 | -175.7 | 53.6 | -179.1 | 66.6 | 0 | 0 | 113.1 | G73 F77 M88 | G73-M75 PolarHBondContact O-N 3.22Å; M75-F77 HydrophobicContact CB-CE2 4.19Å; M75-F77 HydrophobicContact CB-CZ 4.07Å; M75-F77 HydrophobicContact CG-CE2 3.95Å; M75-F77 HydrophobicContact CG-CZ 4.09Å; M75-F77 HydrophobicContact SD-CE2 3.73Å; M75-F77 HydrophobicContact SD-CZ 3.54Å; M75-F77 VanDerWaalsContact SD-CZ 3.54Å; M75-M88 HydrophobicContact CB-CE 3.27Å | ||
| 76 | S | 88.9 | Confident | 87 | Confident | 13 Ų | 13 | 106.7 Ų | 106.7 | 9% | 0.091 | 54% | 0.538 | C | S | . | . | trans | -130.1 | 152.1 | 168 | 53 | 0 | 0 | 0 | 0 | 108.7 | N81 V84 E85 M88 | S76-N81 PolarHBondContact OG-O 2.95Å; S76-V84 VanDerWaalsContact OG-CB 3.31Å; S76-V84 WeakPolarHBondContact OG-CB 3.27Å; S76-V84 WeakPolarHBondContact OG-CG1 3.44Å; S76-E85 WeakPolarHBondContact O-CG 3.47Å; S76-E85 WeakPolarHBondContact OG-CG 3.39Å; S76-E85 PolarHBondContact OG-N 3Å; S76-M88 WeakPolarHBondContact O-CE 3.1Å | ||
| 77 | F | 88.4 | Confident | 87.4 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | trans | -131.6 | 154.9 | -178.1 | -57.4 | -76.1 | 0 | 0 | 0 | 110.1 | M75 G79 F80 E85 M88 | M75-F77 HydrophobicContact CB-CE2 4.19Å; M75-F77 HydrophobicContact CB-CZ 4.07Å; M75-F77 HydrophobicContact CG-CE2 3.95Å; M75-F77 HydrophobicContact CG-CZ 4.09Å; M75-F77 HydrophobicContact SD-CE2 3.73Å; M75-F77 HydrophobicContact SD-CZ 3.54Å; M75-F77 VanDerWaalsContact SD-CZ 3.54Å; F77-G79 PolarHBondContact O-N 3.37Å; F77-F80 PolarHBondContact O-N 3.42Å; F77-E85 WeakPolarHBondContact CA-OE1 3.23Å; F77-M88 HydrophobicContact CE1-CE 4.48Å | ||
| 78 | R | 90 | Very high | 87.7 | Confident | 258 Ų | 258 | 99.2 Ų | 99.2 | 97% | 0.974 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 32.3 | 171.7 | -55.2 | -177.4 | 176.3 | -169.1 | -1.3 | 113.6 | F80 E85 | R78-F80 PolarHBondContact O-N 3.14Å; R78-E85 PolarHBondContact N-OE1 3.46Å; R78-E85 VanDerWaalsContact N-OE1 3.15Å |
| 79 | G | 88.4 | Confident | 88.1 | Confident | 46 Ų | 46 | 99.7 Ų | 99.7 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 16.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | F77 N81 E85 | F77-G79 PolarHBondContact O-N 3.37Å; G79-N81 PolarHBondContact O-N 3.44Å; G79-E85 WeakPolarHBondContact CA-OE1 3.37Å; G79-E85 PolarHBondContact N-OE1 2.88Å |
| 80 | F | 88.7 | Confident | 88.4 | Confident | 194 Ų | 194 | 98.5 Ų | 98.5 | 85% | 0.851 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -62.6 | -32.7 | 177.8 | -167 | -97.8 | 0 | 0 | 0 | 112.3 | F77 R78 | F77-F80 PolarHBondContact O-N 3.42Å; R78-F80 PolarHBondContact O-N 3.14Å |
| 81 | N | 91.5 | Very high | 88.5 | Confident | 49 Ų | 49 | 98.3 Ų | 98.3 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | trans | -149.6 | 99.6 | 170 | -173.4 | -26.7 | 0 | 0 | 0 | 110.3 | S76 G79 E83 V84 E85 | S76-N81 PolarHBondContact OG-O 2.95Å; G79-N81 PolarHBondContact O-N 3.44Å; N81-E83 PolarHBondContact O-N 3.48Å; N81-E83 WeakPolarHBondContact OD1-CB 3.33Å; N81-E83 PolarHBondContact OD1-N 3.41Å; N81-E83 VanDerWaalsContact OD1-N 3.1Å; N81-V84 HydrophobicContact CB-CB 4.1Å; N81-V84 HydrophobicContact CB-CG2 4.13Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.14Å; N81-V84 PolarHBondContact O-N 3.32Å; N81-V84 VanDerWaalsContact O-N 3.13Å; N81-V84 PolarHBondContact OD1-N 3.2Å; N81-E85 PolarHBondContact O-N 2.95Å; N81-E85 VanDerWaalsContact O-N 3.09Å | ||
| 82 | P | 91.1 | Very high | 88.5 | Confident | 93 Ų | 93 | 94.1 Ų | 94.1 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.9 | -26.3 | -175.6 | 25.5 | -34 | 0 | 0 | 0 | 113.5 | K86 | P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.49Å |
| 83 | E | 89.7 | Confident | 87.8 | Confident | 154 Ų | 154 | 93.4 Ų | 93.4 | 72% | 0.72 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 176 | -61 | -173.7 | 159.9 | 0 | 0 | 111.4 | N81 L87 | N81-E83 PolarHBondContact O-N 3.48Å; N81-E83 WeakPolarHBondContact OD1-CB 3.33Å; N81-E83 PolarHBondContact OD1-N 3.41Å; N81-E83 VanDerWaalsContact OD1-N 3.1Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 PolarHBondContact O-N 3.03Å |
| 84 | V | 90.4 | Very high | 86.8 | Confident | 7 Ų | 7 | 98.1 Ų | 98.1 | 4% | 0.042 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -73.8 | -37 | 177.8 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | R74 S76 N81 K86 L87 M88 | R74-V84 HydrophobicContact CG-CG1 3.89Å; R74-V84 VanDerWaalsContact NH2-CG2 3.3Å; S76-V84 VanDerWaalsContact OG-CB 3.31Å; S76-V84 WeakPolarHBondContact OG-CB 3.27Å; S76-V84 WeakPolarHBondContact OG-CG1 3.44Å; N81-V84 HydrophobicContact CB-CB 4.1Å; N81-V84 HydrophobicContact CB-CG2 4.13Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.14Å; N81-V84 PolarHBondContact O-N 3.32Å; N81-V84 VanDerWaalsContact O-N 3.13Å; N81-V84 PolarHBondContact OD1-N 3.2Å; V84-K86 VanDerWaalsContact C-N 3.34Å; V84-L87 PolarHBondContact O-N 3.41Å; V84-M88 WeakPolarHBondContact O-CB 3.49Å; V84-M88 PolarHBondContact O-N 3.09Å |
| 85 | E | 88.4 | Confident | 85.4 | Confident | 51 Ų | 51 | 94.2 Ų | 94.2 | 24% | 0.238 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 172.9 | -63 | -172.2 | 169.4 | 0 | 0 | 111.2 | S76 F77 R78 G79 N81 L87 M88 L89 | S76-E85 WeakPolarHBondContact O-CG 3.47Å; S76-E85 WeakPolarHBondContact OG-CG 3.39Å; S76-E85 PolarHBondContact OG-N 3Å; F77-E85 WeakPolarHBondContact CA-OE1 3.23Å; R78-E85 PolarHBondContact N-OE1 3.46Å; R78-E85 VanDerWaalsContact N-OE1 3.15Å; G79-E85 WeakPolarHBondContact CA-OE1 3.37Å; G79-E85 PolarHBondContact N-OE1 2.88Å; N81-E85 PolarHBondContact O-N 2.95Å; N81-E85 VanDerWaalsContact O-N 3.09Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 3.13Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 3.26Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.68Å |
| 86 | K | 90 | Very high | 84.1 | Confident | 151 Ų | 151 | 95 Ų | 95 | 66% | 0.657 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 175 | -173.5 | 178.2 | -179.5 | -179.7 | 0 | 112 | P82 V84 L89 Q90 | P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.49Å; V84-K86 VanDerWaalsContact C-N 3.34Å; K86-L89 PolarHBondContact O-N 3.02Å; K86-Q90 WeakPolarHBondContact O-CB 3.2Å; K86-Q90 PolarHBondContact O-N 3.34Å |
| 87 | L | 88.6 | Confident | 82.6 | Confident | 50 Ų | 50 | 97.1 Ų | 97.1 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 177.9 | -175.8 | 63 | 0 | 0 | 0 | 111.8 | Y72 E83 V84 E85 L89 Q90 M91 | Y72-L87 HydrophobicContact CE1-CD2 3.71Å; Y72-L87 HydrophobicContact CE1-CG 3.8Å; Y72-L87 VanDerWaalsContact OH-CD2 3.32Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.43Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 PolarHBondContact O-N 3.03Å; V84-L87 PolarHBondContact O-N 3.41Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 3.13Å; L87-L89 PolarHBondContact O-N 3.07Å; L87-Q90 PolarHBondContact O-N 2.82Å; L87-M91 HydrophobicContact CD1-CE 3.85Å; L87-M91 HydrophobicContact CD1-CG 4.13Å; L87-M91 HydrophobicContact CG-CG 4.48Å; L87-M91 WeakPolarHBondContact O-CG 3.39Å; L87-M91 PolarHBondContact O-N 2.8Å |
| 88 | M | 88.1 | Confident | 80.9 | Confident | 32 Ų | 32 | 95.5 Ų | 95.5 | 16% | 0.158 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 174.5 | 178.1 | -157.6 | -58.5 | 0 | 0 | 110.9 | M75 S76 F77 V84 E85 Q90 M91 N92 | M75-M88 HydrophobicContact CB-CE 3.27Å; S76-M88 WeakPolarHBondContact O-CE 3.1Å; F77-M88 HydrophobicContact CE1-CE 4.48Å; V84-M88 WeakPolarHBondContact O-CB 3.49Å; V84-M88 PolarHBondContact O-N 3.09Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 3.26Å; M88-Q90 PolarHBondContact O-N 3.03Å; M88-M91 PolarHBondContact O-N 3.13Å; M88-N92 WeakPolarHBondContact CG-ND2 3.12Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.5Å; M88-N92 PolarHBondContact O-N 2.93Å; M88-N92 PolarHBondContact O-ND2 3.29Å |
| 89 | L | 86.3 | Confident | 79.2 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 64% | 0.639 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62 | -43.3 | 179.4 | -69.8 | 169.2 | 0 | 0 | 0 | 111.6 | E85 K86 L87 S93 | E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.68Å; K86-L89 PolarHBondContact O-N 3.02Å; L87-L89 PolarHBondContact O-N 3.07Å; L89-S93 WeakPolarHBondContact O-CB 3.29Å; L89-S93 PolarHBondContact O-N 3.28Å; L89-S93 PolarHBondContact O-OG 3.21Å |
| 90 | Q | 87 | Confident | 77.6 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 179.4 | -175 | 178.7 | 0.4 | 0 | 0 | 112.7 | K86 L87 M88 S93 | K86-Q90 WeakPolarHBondContact O-CB 3.2Å; K86-Q90 PolarHBondContact O-N 3.34Å; L87-Q90 PolarHBondContact O-N 2.82Å; M88-Q90 PolarHBondContact O-N 3.03Å; Q90-S93 PolarHBondContact O-OG 3.08Å |
| 91 | M | 86.5 | Confident | 75.8 | Confident | 83 Ų | 83 | 87 Ų | 87 | 41% | 0.409 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.9 | -37.5 | -177.2 | -65.6 | -59.6 | -174.4 | 0 | 0 | 112.2 | Y72 L87 M88 | Y72-M91 HydrophobicContact CD1-CB 4.48Å; Y72-M91 HydrophobicContact CD2-CB 4.23Å; Y72-M91 HydrophobicContact CD2-CG 4.19Å; Y72-M91 HydrophobicContact CG-CB 3.93Å; Y72-M91 HydrophobicContact CG-CG 4.22Å; L87-M91 HydrophobicContact CD1-CE 3.85Å; L87-M91 HydrophobicContact CD1-CG 4.13Å; L87-M91 HydrophobicContact CG-CG 4.48Å; L87-M91 WeakPolarHBondContact O-CG 3.39Å; L87-M91 PolarHBondContact O-N 2.8Å; M88-M91 PolarHBondContact O-N 3.13Å |
| 92 | N | 84.3 | Confident | 73.9 | Confident | 26 Ų | 26 | 92.8 Ų | 92.8 | 14% | 0.139 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -85 | -19.5 | -177.8 | -64.5 | -17.6 | 0 | 0 | 0 | 113.7 | L71 Y72 M88 K94 N95 K96 | L71-N92 HydrophobicContact CD2-CB 4.14Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.49Å; Y72-N92 PolarHBondContact N-OD1 3.49Å; M88-N92 WeakPolarHBondContact CG-ND2 3.12Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.5Å; M88-N92 PolarHBondContact O-N 2.93Å; M88-N92 PolarHBondContact O-ND2 3.29Å; N92-K94 PolarHBondContact O-N 3.32Å; N92-N95 PolarHBondContact O-N 3.41Å; N92-N95 VanDerWaalsContact O-N 3.1Å; N92-K96 PolarHBondContact O-N 3.25Å; N92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | S | 74.6 | Confident | 71.9 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -29.4 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | L89 Q90 N95 K96 A97 | L89-S93 WeakPolarHBondContact O-CB 3.29Å; L89-S93 PolarHBondContact O-N 3.28Å; L89-S93 PolarHBondContact O-OG 3.21Å; Q90-S93 PolarHBondContact O-OG 3.08Å; S93-N95 VanDerWaalsContact C-N 3.28Å; S93-N95 PolarHBondContact O-N 3.1Å; S93-K96 PolarHBondContact O-N 2.79Å; S93-A97 PolarHBondContact O-N 2.88Å |
| 94 | K | 65.8 | Low | 70.3 | Confident | 160 Ų | 160 | 93.2 Ų | 93.2 | 70% | 0.696 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -34.9 | 175.3 | -66.1 | -177.5 | -179.3 | 178.5 | 0 | 112.7 | N92 | N92-K94 PolarHBondContact O-N 3.32Å |
| 95 | N | 59.8 | Low | 68.9 | Low | 68 Ų | 68 | 98.2 Ų | 98.2 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -84.5 | -30.1 | 178.6 | -61.9 | 1.2 | 0 | 0 | 0 | 111 | N92 S93 A97 V98 | N92-N95 PolarHBondContact O-N 3.41Å; N92-N95 VanDerWaalsContact O-N 3.1Å; S93-N95 VanDerWaalsContact C-N 3.28Å; S93-N95 PolarHBondContact O-N 3.1Å; N95-A97 PolarHBondContact O-N 2.88Å; N95-V98 PolarHBondContact O-N 3.35Å |
| 96 | K | 59.3 | Low | 67.5 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.6 | -28.4 | -176.8 | -146.4 | 177.1 | 178.9 | -103.3 | 0 | 113.9 | N92 S93 V98 A99 E100 | N92-K96 PolarHBondContact O-N 3.25Å; N92-K96 VanDerWaalsContact O-N 3.08Å; S93-K96 PolarHBondContact O-N 2.79Å; K96-V98 PolarHBondContact O-N 3.41Å; K96-A99 PolarHBondContact O-N 3.38Å; K96-E100 IonicContact NZ-OE1 2.72Å; K96-E100 PolarHBondContact NZ-OE1 3.01Å; K96-E100 PolarHBondContact O-N 3.4Å |
| 97 | A | 57.2 | Low | 66.4 | Low | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -28.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S93 N95 | S93-A97 PolarHBondContact O-N 2.88Å; N95-A97 PolarHBondContact O-N 2.88Å |
| 98 | V | 54.1 | Low | 65.5 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 61% | 0.606 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.4 | -39.3 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | N95 K96 E101 | N95-V98 PolarHBondContact O-N 3.35Å; K96-V98 PolarHBondContact O-N 3.41Å; V98-E101 PolarHBondContact O-N 3.06Å |
| 99 | A | 54.3 | Low | 64.9 | Low | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.6 | -32.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K96 E101 E102 E103 | K96-A99 PolarHBondContact O-N 3.38Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 PolarHBondContact O-N 3.4Å; A99-E102 PolarHBondContact O-N 3.15Å; A99-E103 PolarHBondContact O-N 3.06Å; A99-E103 VanDerWaalsContact O-N 3.13Å |
| 100 | E | 53.3 | Low | 64.7 | Low | 108 Ų | 108 | 105.2 Ų | 105.2 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.2 | -20.7 | 176.7 | -79.3 | 174.7 | -172.9 | 0 | 0 | 113 | K96 | K96-E100 IonicContact NZ-OE1 2.72Å; K96-E100 PolarHBondContact NZ-OE1 3.01Å; K96-E100 PolarHBondContact O-N 3.4Å |
| 101 | E | 51.9 | Low | 64.4 | Low | 159 Ų | 159 | 105.9 Ų | 105.9 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.4 | -27.9 | 171.2 | -73.5 | -173.4 | 172.3 | 0 | 0 | 112.4 | V98 A99 | V98-E101 PolarHBondContact O-N 3.06Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 PolarHBondContact O-N 3.4Å |
| 102 | E | 51.3 | Low | 64.1 | Low | 170 Ų | 170 | 108.6 Ų | 108.6 | 79% | 0.794 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -83.6 | -28.3 | 175.2 | -63.4 | -167 | 160.1 | 0 | 0 | 112.2 | A99 T104 | A99-E102 PolarHBondContact O-N 3.15Å; E102-T104 VanDerWaalsContact C-N 3.26Å; E102-T104 PolarHBondContact O-N 3.23Å |
| 103 | E | 50 | Low | 63.9 | Low | 144 Ų | 144 | 111 Ų | 111 | 67% | 0.673 | 59% | 0.591 | S | S | * | * | trans | -89.9 | 49.2 | 175.2 | -156.7 | -179.8 | -168.3 | 0 | 0 | 111.3 | A99 V105 | A99-E103 PolarHBondContact O-N 3.06Å; A99-E103 VanDerWaalsContact O-N 3.13Å; E103-V105 PolarHBondContact O-N 3.01Å | ||
| 104 | T | 54.8 | Low | 64.4 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 68% | 0.681 | 59% | 0.592 | S | S | * | * | trans | -63.9 | 95.8 | 162.6 | 55.8 | 0 | 0 | 0 | 0 | 107.5 | E102 E106 | E102-T104 VanDerWaalsContact C-N 3.26Å; E102-T104 PolarHBondContact O-N 3.23Å; T104-E106 PolarHBondContact O-N 3.43Å | ||
| 105 | V | 60.9 | Low | 65.2 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 68% | 0.679 | 58% | 0.583 | S | S | * | * | trans | -39 | 112.3 | 178.5 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | E103 V107 | E103-V105 PolarHBondContact O-N 3.01Å; V105-V107 HydrophobicContact CB-CG2 4.3Å; V105-V107 HydrophobicContact CG1-CG2 3.92Å; V105-V107 WeakPolarHBondContact O-CG2 3.47Å; V105-V107 PolarHBondContact O-N 3.12Å | ||
| 106 | E | 59.4 | Low | 66.2 | Low | 182 Ų | 182 | 112.8 Ų | 112.8 | 85% | 0.85 | 60% | 0.596 | S | S | * | * | trans | -65.4 | 90.4 | 170.8 | -67.1 | -177.8 | 165.8 | 0 | 0 | 107.4 | T104 D108 | T104-E106 PolarHBondContact O-N 3.43Å; E106-D108 PolarHBondContact O-N 3.26Å | ||
| 107 | V | 66.6 | Low | 67.1 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | trans | -81.5 | 109.2 | 176.1 | -170.4 | 0 | 0 | 0 | 0 | 107.3 | V105 V109 | V105-V107 HydrophobicContact CB-CG2 4.3Å; V105-V107 HydrophobicContact CG1-CG2 3.92Å; V105-V107 WeakPolarHBondContact O-CG2 3.47Å; V105-V107 PolarHBondContact O-N 3.12Å; V107-V109 WeakPolarHBondContact CG1-O 3.32Å; V107-V109 PolarHBondContact O-N 3.34Å | ||
| 108 | D | 70.9 | Confident | 68.1 | Low | 161 Ų | 161 | 118.7 Ų | 118.7 | 86% | 0.861 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -58 | -17.3 | 179.3 | -71.2 | -36.4 | 0 | 0 | 0 | 114.2 | E106 | E106-D108 PolarHBondContact O-N 3.26Š|
| 109 | V | 75.1 | Confident | 69.1 | Low | 46 Ų | 46 | 120.8 Ų | 120.8 | 28% | 0.279 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -133.4 | 118.9 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | V107 E113 | V107-V109 WeakPolarHBondContact CG1-O 3.32Å; V107-V109 PolarHBondContact O-N 3.34Å; V109-E113 HydrophobicContact CG1-CB 3.95Å; V109-E113 HydrophobicContact CG1-CG 4.24Å |
| 110 | S | 81.3 | Confident | 69.9 | Low | 63 Ų | 63 | 122.9 Ų | 122.9 | 44% | 0.441 | 62% | 0.615 | S | S | . | * | trans | -69.6 | 151.6 | 176 | 87.1 | 0 | 0 | 0 | 0 | 111.5 | E112 E113 M114 | S110-E112 PolarHBondContact O-N 2.96Å; S110-E112 VanDerWaalsContact O-N 3.13Å; S110-E112 PolarHBondContact OG-N 2.72Å; S110-E113 PolarHBondContact O-N 2.93Å; S110-E113 PolarHBondContact OG-N 2.9Å; S110-M114 PolarHBondContact O-N 3.32Å | ||
| 111 | D | 80.6 | Confident | 70.6 | Confident | 135 Ų | 135 | 122.4 Ų | 122.4 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.1 | -31.6 | 176.3 | -71.3 | -13.9 | 0 | 0 | 0 | 112.2 | M114 A115 | D111-M114 PolarHBondContact O-N 2.95Å; D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3Å |
| 112 | E | 80.3 | Confident | 71.4 | Confident | 140 Ų | 140 | 119.5 Ų | 119.5 | 65% | 0.654 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.5 | -41.4 | 175.2 | -59.9 | -174.8 | 175.2 | 0 | 0 | 112.3 | S110 A115 R116 | S110-E112 PolarHBondContact O-N 2.96Å; S110-E112 VanDerWaalsContact O-N 3.13Å; S110-E112 PolarHBondContact OG-N 2.72Å; E112-A115 PolarHBondContact O-N 2.97Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.83Å; E112-R116 VanDerWaalsContact O-N 3.14Å |
| 113 | E | 81.1 | Confident | 72 | Confident | 78 Ų | 78 | 112.9 Ų | 112.9 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.7 | -39.1 | 177.4 | -169.1 | 179.9 | 168.3 | 0 | 0 | 111.1 | V109 S110 A115 R116 R117 | V109-E113 HydrophobicContact CG1-CB 3.95Å; V109-E113 HydrophobicContact CG1-CG 4.24Å; S110-E113 PolarHBondContact O-N 2.93Å; S110-E113 PolarHBondContact OG-N 2.9Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.4Å; E113-R116 PolarHBondContact O-N 3.16Å; E113-R117 WeakPolarHBondContact O-CG 3.25Å; E113-R117 PolarHBondContact O-N 3.23Å; E113-R117 VanDerWaalsContact O-N 3.12Å; E113-R117 IonicContact OE1-CZ 2.68Å; E113-R117 IonicContact OE1-NE 2.7Å; E113-R117 PolarHBondContact OE1-NE 2.55Å; E113-R117 IonicContact OE1-NH2 3.34Å; E113-R117 PolarHBondContact OE1-NH2 3.47Å |
| 114 | M | 83.7 | Confident | 72.7 | Confident | 93 Ų | 93 | 109.7 Ų | 109.7 | 46% | 0.458 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.8 | -47 | 173 | -173.9 | 175.2 | -64.1 | 0 | 0 | 111 | S110 D111 R116 R117 Y118 | S110-M114 PolarHBondContact O-N 3.32Å; D111-M114 PolarHBondContact O-N 2.95Å; M114-R116 PolarHBondContact O-N 3.39Å; M114-R117 PolarHBondContact O-N 2.91Å; M114-Y118 HydrophobicContact CG-CD2 3.79Å; M114-Y118 HydrophobicContact CG-CE2 3.82Å; M114-Y118 WeakPolarHBondContact O-CD2 3.49Å; M114-Y118 PolarHBondContact O-N 3.16Å; M114-Y118 HydrophobicContact SD-CE2 4.22Å |
| 115 | A | 82.8 | Confident | 73.3 | Confident | 61 Ų | 61 | 107.6 Ų | 107.6 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.1 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D111 E112 E113 R117 Y118 E119 | D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3Å; E112-A115 PolarHBondContact O-N 2.97Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.4Å; A115-R117 PolarHBondContact O-N 3Å; A115-Y118 PolarHBondContact O-N 3.43Å; A115-E119 PolarHBondContact O-N 3.17Å |
| 116 | R | 80.8 | Confident | 73.4 | Confident | 173 Ų | 173 | 104.6 Ų | 104.6 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -39.1 | 178.1 | -70.4 | 178.7 | -173.1 | -164.8 | 5.6 | 112.8 | E112 E113 M114 T120 | E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.83Å; E112-R116 VanDerWaalsContact O-N 3.14Å; E113-R116 PolarHBondContact O-N 3.16Å; M114-R116 PolarHBondContact O-N 3.39Å; R116-T120 PolarHBondContact O-N 3.02Å; R116-T120 PolarHBondContact O-OG1 3.25Å |
| 117 | R | 78.8 | Confident | 73.7 | Confident | 151 Ų | 151 | 99.7 Ų | 99.7 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -36.8 | 176.2 | -68.7 | -177.6 | -173.5 | -158.5 | 5.6 | 111.8 | E113 M114 A115 T120 L121 | E113-R117 WeakPolarHBondContact O-CG 3.25Å; E113-R117 PolarHBondContact O-N 3.23Å; E113-R117 VanDerWaalsContact O-N 3.12Å; E113-R117 IonicContact OE1-CZ 2.68Å; E113-R117 IonicContact OE1-NE 2.7Å; E113-R117 PolarHBondContact OE1-NE 2.55Å; E113-R117 IonicContact OE1-NH2 3.34Å; E113-R117 PolarHBondContact OE1-NH2 3.47Å; M114-R117 PolarHBondContact O-N 2.91Å; A115-R117 PolarHBondContact O-N 3Å; R117-T120 PolarHBondContact O-OG1 3.47Å; R117-T120 VanDerWaalsContact O-OG1 3.06Å; R117-L121 VanDerWaalsContact O-CB 3.26Å; R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.36Å; R117-L121 VanDerWaalsContact O-N 3.15Å |
| 118 | Y | 77.3 | Confident | 73.6 | Confident | 150 Ų | 150 | 102.6 Ų | 102.6 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 175.8 | -94.5 | -82.7 | 0 | 0 | 0 | 112.6 | M114 A115 T120 L121 V122 | M114-Y118 HydrophobicContact CG-CD2 3.79Å; M114-Y118 HydrophobicContact CG-CE2 3.82Å; M114-Y118 WeakPolarHBondContact O-CD2 3.49Å; M114-Y118 PolarHBondContact O-N 3.16Å; M114-Y118 HydrophobicContact SD-CE2 4.22Å; A115-Y118 PolarHBondContact O-N 3.43Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.49Å; Y118-L121 PolarHBondContact O-N 3.39Å; Y118-V122 HydrophobicContact CD1-CG2 3.94Å; Y118-V122 WeakPolarHBondContact O-CB 3.45Å; Y118-V122 VanDerWaalsContact O-CG2 3.23Å; Y118-V122 WeakPolarHBondContact O-CG2 3.43Å; Y118-V122 PolarHBondContact O-N 3.49Å |
| 119 | E | 75.4 | Confident | 73.5 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 67% | 0.673 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.4 | -45.7 | 178.1 | -173.2 | 177.2 | -173.1 | 0 | 0 | 112 | A115 | A115-E119 PolarHBondContact O-N 3.17Å |
| 120 | T | 72.3 | Confident | 73.2 | Confident | 98 Ų | 98 | 102.5 Ų | 102.5 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.9 | -35.6 | -178.3 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | R116 R117 Y118 T124 | R116-T120 PolarHBondContact O-N 3.02Å; R116-T120 PolarHBondContact O-OG1 3.25Å; R117-T120 PolarHBondContact O-OG1 3.47Å; R117-T120 VanDerWaalsContact O-OG1 3.06Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.49Å; T120-T124 PolarHBondContact O-OG1 3.41Å |
| 121 | L | 68.1 | Low | 72.7 | Confident | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -83.6 | -37 | -173.2 | -167.5 | 62 | 0 | 0 | 0 | 113.3 | R117 Y118 G123 T124 I125 | R117-L121 VanDerWaalsContact O-CB 3.26Å; R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.36Å; R117-L121 VanDerWaalsContact O-N 3.15Å; Y118-L121 PolarHBondContact O-N 3.39Å; L121-G123 PolarHBondContact O-N 2.84Å; L121-T124 PolarHBondContact O-N 3.28Å; L121-T124 PolarHBondContact O-OG1 3.34Å; L121-I125 HydrophobicContact CD1-CD1 3.72Å; L121-I125 HydrophobicContact CD1-CG1 4.18Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.59Å; L121-I125 HydrophobicContact CG-CG1 4.35Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.17Å |
| 122 | V | 67.1 | Low | 72.1 | Confident | 97 Ų | 97 | 110.1 Ų | 110.1 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.5 | -36.9 | -176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | Y118 T124 | Y118-V122 HydrophobicContact CD1-CG2 3.94Å; Y118-V122 WeakPolarHBondContact O-CB 3.45Å; Y118-V122 VanDerWaalsContact O-CG2 3.23Å; Y118-V122 WeakPolarHBondContact O-CG2 3.43Å; Y118-V122 PolarHBondContact O-N 3.49Å; V122-T124 VanDerWaalsContact C-N 3.34Å; V122-T124 PolarHBondContact O-N 2.98Å |
| 123 | G | 64.1 | Low | 71.5 | Confident | 31 Ų | 31 | 114 Ų | 114 | 32% | 0.32 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -32.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L121 I146 | L121-G123 PolarHBondContact O-N 2.84Å; G123-I146 VanDerWaalsContact O-CD1 3.29Å; G123-I146 WeakPolarHBondContact O-CD1 3.41Å |
| 124 | T | 66.5 | Low | 70.7 | Confident | 78 Ų | 78 | 113.6 Ų | 113.6 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -90.3 | -29.4 | -174.8 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | T120 L121 V122 | T120-T124 PolarHBondContact O-OG1 3.41Å; L121-T124 PolarHBondContact O-N 3.28Å; L121-T124 PolarHBondContact O-OG1 3.34Å; V122-T124 VanDerWaalsContact C-N 3.34Å; V122-T124 PolarHBondContact O-N 2.98Å |
| 125 | I | 65.6 | Low | 69.8 | Low | 67 Ų | 67 | 116.2 Ų | 116.2 | 34% | 0.344 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.9 | -34.5 | -179 | -78.1 | 178.1 | 0 | 0 | 0 | 112.8 | L121 K127 K128 F129 | L121-I125 HydrophobicContact CD1-CD1 3.72Å; L121-I125 HydrophobicContact CD1-CG1 4.18Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.59Å; L121-I125 HydrophobicContact CG-CG1 4.35Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.17Å; I125-K127 PolarHBondContact O-N 3.21Å; I125-K127 VanDerWaalsContact O-N 3.12Å; I125-K128 WeakPolarHBondContact O-CB 3.07Å; I125-K128 PolarHBondContact O-N 3.37Å; I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 3.94Å |
| 126 | G | 64.6 | Low | 69 | Low | 49 Ų | 49 | 116.9 Ų | 116.9 | 51% | 0.505 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56 | -32 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A130 | G126-A130 PolarHBondContact O-N 3.36Å |
| 127 | K | 64.1 | Low | 68.3 | Low | 79 Ų | 79 | 113 Ų | 113 | 34% | 0.343 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.4 | -27.1 | 177.4 | -76.8 | 175.8 | 170.3 | 165.5 | 0 | 114.1 | I125 F129 E140 I146 | I125-K127 PolarHBondContact O-N 3.21Å; I125-K127 VanDerWaalsContact O-N 3.12Å; K127-F129 VanDerWaalsContact C-N 3.29Å; K127-F129 PolarHBondContact O-N 3.28Å; K127-E140 IonicContact NZ-OE1 2.55Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; K127-I146 HydrophobicContact CD-CD1 4.03Å |
| 128 | K | 65.9 | Low | 67.7 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 70% | 0.704 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.7 | -25.7 | -178.4 | -63.1 | -172.7 | -178.9 | -171.9 | 0 | 112 | I125 | I125-K128 WeakPolarHBondContact O-CB 3.07Å; I125-K128 PolarHBondContact O-N 3.37Å |
| 129 | F | 68.6 | Low | 67.2 | Low | 174 Ų | 174 | 111 Ų | 111 | 76% | 0.763 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -107 | -5.1 | 179.7 | -61.2 | -76.5 | 0 | 0 | 0 | 114.2 | I125 K127 | I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 3.94Å; K127-F129 VanDerWaalsContact C-N 3.29Å; K127-F129 PolarHBondContact O-N 3.28Å |
| 130 | A | 67.5 | Low | 66.5 | Low | 32 Ų | 32 | 110.6 Ų | 110.6 | 26% | 0.264 | 55% | 0.553 | S | S | . | * | trans | -70.2 | 129.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G126 | G126-A130 PolarHBondContact O-N 3.36Š| ||
| 131 | K | 72.8 | Confident | 66 | Low | 165 Ų | 165 | 108.1 Ų | 108.1 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | trans | -64.4 | 147.7 | 174.7 | -70.3 | 179.2 | 179.8 | 175.5 | 0 | 110 | R133 D134 | K131-R133 PolarHBondContact O-N 3.33Å; K131-D134 PolarHBondContact O-N 3.12Å | ||
| 132 | K | 67.5 | Low | 65.5 | Low | 192 Ų | 192 | 113.1 Ų | 113.1 | 84% | 0.835 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.2 | -27.7 | -175.8 | -102.1 | -174.9 | 177.1 | -179.2 | 0 | 114.8 | ||
| 133 | R | 67 | Low | 65 | Low | 222 Ų | 222 | 115.8 Ų | 115.8 | 84% | 0.838 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -28.8 | 179.4 | -174.4 | 176.3 | -77.8 | 167.1 | -4.9 | 113.5 | K131 | K131-R133 PolarHBondContact O-N 3.33Š|
| 134 | D | 64.6 | Low | 64.8 | Low | 69 Ų | 69 | 116.7 Ų | 116.7 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -91 | -9.8 | -172.6 | -57.7 | -39.3 | 0 | 0 | 0 | 113.1 | K131 A136 N137 Y138 | K131-D134 PolarHBondContact O-N 3.12Å; D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.26Å; D134-N137 PolarHBondContact O-N 2.98Å; D134-Y138 WeakPolarHBondContact O-CD2 3.49Å |
| 135 | R | 65.1 | Low | 64.3 | Low | 148 Ų | 148 | 117.2 Ų | 117.2 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -65.5 | -26.2 | 179.1 | -73.3 | -174.1 | 178.1 | -175.7 | -3.2 | 113.8 | N137 | R135-N137 PolarHBondContact O-N 3.02Š|
| 136 | A | 65.9 | Low | 64.1 | Low | 76 Ų | 76 | 115.9 Ų | 115.9 | 63% | 0.628 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -76.3 | -7.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D134 I149 | D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.26Å; A136-I149 WeakPolarHBondContact O-CD1 3.47Å |
| 137 | N | 66.1 | Low | 63.9 | Low | 91 Ų | 91 | 119.3 Ų | 119.3 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -96.4 | 4.1 | -175.3 | -67.8 | -21.2 | 0 | 0 | 0 | 113.9 | D134 R135 I149 | D134-N137 PolarHBondContact O-N 2.98Å; R135-N137 PolarHBondContact O-N 3.02Å; N137-I149 WeakPolarHBondContact O-CG1 3.33Å; N137-I149 PolarHBondContact O-N 3.48Å |
| 138 | Y | 66.6 | Low | 63.9 | Low | 132 Ų | 132 | 120 Ų | 120 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.3 | -175 | -69.1 | -81.2 | 0 | 0 | 0 | 110.6 | D134 I146 P148 | D134-Y138 WeakPolarHBondContact O-CD2 3.49Å; Y138-I146 HydrophobicContact CD1-CG2 3.99Å; Y138-I146 HydrophobicContact CG-CG2 4.15Å; Y138-P148 HydrophobicContact CE1-CB 4.32Å |
| 139 | E | 65.1 | Low | 64 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 145 | 174.7 | -78 | -179.8 | -172.6 | 0 | 0 | 110.3 | I146 K147 I149 | E139-I146 CarbonylContact O-C 3.6Å; E139-I146 WeakPolarHBondContact O-CA 3.36Å; E139-K147 PolarHBondContact N-O 3.15Å; E139-K147 PolarHBondContact O-N 2.75Å; E139-I149 HydrophobicContact CB-CG1 4.34Å; E139-I149 HydrophobicContact CG-CD1 3.8Å; E139-I149 HydrophobicContact CG-CG1 3.69Å |
| 140 | E | 62.1 | Low | 63.8 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.9 | 173.4 | -80.7 | 173.5 | -177.1 | 0 | 0 | 109.7 | K127 I146 | K127-E140 IonicContact NZ-OE1 2.55Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; E140-I146 HydrophobicContact CG-CG1 3.9Å |
| 141 | D | 61.7 | Low | 63.6 | Low | 46 Ų | 46 | 121.3 Ų | 121.3 | 25% | 0.246 | 60% | 0.596 | C | S | . | * | trans | -82.5 | 169.3 | 168.9 | 67.1 | 23.9 | 0 | 0 | 0 | 112.1 | N143 G144 N145 K147 | D141-N143 PolarHBondContact O-N 3.2Å; D141-N143 PolarHBondContact OD1-N 3.13Å; D141-G144 PolarHBondContact O-N 3.31Å; D141-G144 PolarHBondContact OD1-N 3.23Å; D141-N145 PolarHBondContact N-O 3.5Å; D141-N145 VanDerWaalsContact OD1-CA 3.3Å; D141-N145 WeakPolarHBondContact OD1-CA 3.39Å; D141-N145 WeakPolarHBondContact OD1-CB 3.31Å; D141-N145 PolarHBondContact OD1-N 2.93Å; D141-N145 VanDerWaalsContact OD1-O 3.12Å; D141-N145 WeakPolarHBondContact OD2-CB 3.46Å; D141-K147 WeakPolarHBondContact OD2-CE 3.38Å; D141-K147 IonicContact OD2-NZ 2.61Å; D141-K147 PolarHBondContact OD2-NZ 3.3Å | ||
| 142 | E | 56.5 | Low | 63.1 | Low | 202 Ų | 202 | 123.1 Ų | 123.1 | 94% | 0.944 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -15.9 | -177.1 | -66.5 | -174.5 | 155.6 | 0 | 0 | 113.7 | ||
| 143 | N | 56.9 | Low | 63.1 | Low | 154 Ų | 154 | 124.2 Ų | 124.2 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 9.8 | 175.5 | -71.8 | 4.9 | 0 | 0 | 0 | 112.8 | D141 N145 | D141-N143 PolarHBondContact O-N 3.2Å; D141-N143 PolarHBondContact OD1-N 3.13Å; N143-N145 PolarHBondContact O-N 2.92Å |
| 144 | G | 59.6 | Low | 63.3 | Low | 50 Ų | 50 | 121.4 Ų | 121.4 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | S | Bend | trans | 74.5 | 9.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D141 | D141-G144 PolarHBondContact O-N 3.31Å; D141-G144 PolarHBondContact OD1-N 3.23Å |
| 145 | N | 56.1 | Low | 63.4 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 47% | 0.471 | 63% | 0.634 | S | S | . | * | trans | -90.9 | 135.6 | -179 | -142.4 | -14.7 | 0 | 0 | 0 | 110.4 | D141 N143 | D141-N145 PolarHBondContact N-O 3.5Å; D141-N145 VanDerWaalsContact OD1-CA 3.3Å; D141-N145 WeakPolarHBondContact OD1-CA 3.39Å; D141-N145 WeakPolarHBondContact OD1-CB 3.31Å; D141-N145 PolarHBondContact OD1-N 2.93Å; D141-N145 VanDerWaalsContact OD1-O 3.12Å; D141-N145 WeakPolarHBondContact OD2-CB 3.46Å; N143-N145 PolarHBondContact O-N 2.92Å | ||
| 146 | I | 61.7 | Low | 64 | Low | 39 Ų | 39 | 128.5 Ų | 128.5 | 20% | 0.2 | 65% | 0.646 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.4 | -163.2 | -55 | 144 | 0 | 0 | 0 | 109.7 | G123 K127 Y138 E139 E140 | G123-I146 VanDerWaalsContact O-CD1 3.29Å; G123-I146 WeakPolarHBondContact O-CD1 3.41Å; K127-I146 HydrophobicContact CD-CD1 4.03Å; Y138-I146 HydrophobicContact CD1-CG2 3.99Å; Y138-I146 HydrophobicContact CG-CG2 4.15Å; E139-I146 CarbonylContact O-C 3.6Å; E139-I146 WeakPolarHBondContact O-CA 3.36Å; E140-I146 HydrophobicContact CG-CG1 3.9Å |
| 147 | K | 61 | Low | 64.2 | Low | 122 Ų | 122 | 134.2 Ų | 134.2 | 53% | 0.53 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.9 | -176.8 | -71.7 | 169 | 176.9 | 144.7 | 0 | 111.5 | E139 D141 | E139-K147 PolarHBondContact N-O 3.15Å; E139-K147 PolarHBondContact O-N 2.75Å; D141-K147 WeakPolarHBondContact OD2-CE 3.38Å; D141-K147 IonicContact OD2-NZ 2.61Å; D141-K147 PolarHBondContact OD2-NZ 3.3Å |
| 148 | P | 64.3 | Low | 64.4 | Low | 93 Ų | 93 | 135.6 Ų | 135.6 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69 | 136.1 | 175.7 | 28.1 | -33.4 | 0 | 0 | 0 | 110.8 | Y138 K150 | Y138-P148 HydrophobicContact CE1-CB 4.32Å; P148-K150 PolarHBondContact O-N 3.22Å |
| 149 | I | 68.6 | Low | 64.3 | Low | 70 Ų | 70 | 138.5 Ų | 138.5 | 36% | 0.359 | 69% | 0.689 | S | S | . | * | trans | -65.9 | 118.6 | 179.1 | -63.6 | 172.6 | 0 | 0 | 0 | 109.1 | A136 N137 E139 T151 | A136-I149 WeakPolarHBondContact O-CD1 3.47Å; N137-I149 WeakPolarHBondContact O-CG1 3.33Å; N137-I149 PolarHBondContact O-N 3.48Å; E139-I149 HydrophobicContact CB-CG1 4.34Å; E139-I149 HydrophobicContact CG-CD1 3.8Å; E139-I149 HydrophobicContact CG-CG1 3.69Å; I149-T151 PolarHBondContact O-N 3.1Å | ||
| 150 | K | 63.5 | Low | 63.9 | Low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -72.1 | 113.1 | 176 | -65.9 | -179 | -178.7 | 176.5 | 0 | 109.2 | P148 | P148-K150 PolarHBondContact O-N 3.22Š| ||
| 151 | T | 62.4 | Low | 64 | Low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -67.7 | 134.9 | 175.1 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | I149 K153 | I149-T151 PolarHBondContact O-N 3.1Å; T151-K153 PolarHBondContact O-N 3.24Å | ||
| 152 | K | 62.8 | Low | 64.2 | Low | 203 Ų | 203 | 149.5 Ų | 149.5 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -68.6 | 124.5 | 177.8 | -66.8 | 177.1 | -178.2 | 174.4 | 0 | 109.1 | M154 | K152-M154 PolarHBondContact O-N 3.01Š| ||
| 153 | K | 67.8 | Low | 64.6 | Low | 214 Ų | 214 | 146.6 Ų | 146.6 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | trans | -67.5 | 113.9 | 174.8 | -63.2 | -171.9 | 180 | -176.5 | 0 | 108.9 | T151 | T151-K153 PolarHBondContact O-N 3.24Š| ||
| 154 | M | 70.9 | Confident | 65 | Low | 163 Ų | 163 | 146.2 Ų | 146.2 | 80% | 0.803 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 147.7 | 172.5 | 60.5 | 176.9 | 61.7 | 0 | 0 | 110.8 | K152 L156 | K152-M154 PolarHBondContact O-N 3.01Å; M154-L156 PolarHBondContact O-N 3.34Å |
| 155 | F | 67.9 | Low | 65.4 | Low | 212 Ų | 212 | 152.2 Ų | 152.2 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118.5 | -179.3 | -134.9 | -96.4 | 0 | 0 | 0 | 109.6 | ||
| 156 | L | 76.4 | Confident | 66 | Low | 155 Ų | 155 | 156.5 Ų | 156.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 133.5 | 171 | -85 | 125.5 | 0 | 0 | 0 | 109.2 | M154 | M154-L156 PolarHBondContact O-N 3.34Š|
| 157 | K | 70.4 | Confident | 66.3 | Low | 195 Ų | 195 | 164.9 Ų | 164.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69 | 140 | 173.6 | -100.3 | -177.7 | 174.7 | -178.3 | 0 | 110.2 | ||
| 158 | P | 70.8 | Confident | 66.7 | Low | 120 Ų | 120 | 168.2 Ų | 168.2 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.3 | 172.2 | -17.1 | 30 | 0 | 0 | 0 | 111 | ||
| 159 | Q | 64.9 | Low | 66.9 | Low | 194 Ų | 194 | 174.4 Ų | 174.4 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 142.3 | 172.2 | -66.2 | -171.4 | -25.1 | 0 | 0 | 109.8 | ||
| 160 | D | 56.7 | Low | 66.8 | Low | 241 Ų | 241 | 183.9 Ų | 183.9 | 100% | 1.289 | 89% | 0.893 | S | S | * | * | trans | -71.4 | 0 | 172.2 | -72.2 | -32.3 | 0 | 0 | 0 | 112 |
Retrieved 160 of 160 residues in 24.4 ms
(Link to these results)