| 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 | 35.8 | Very low | 66.7 | Low | 244 Ų | 244 | 152.2 Ų | 152.2 | 100% | 1.202 | 79% | 0.787 | S | S | * | * | 0 | 107.1 | 0 | -74.3 | -178 | 170.5 | 0 | 0 | 108.1 | A3 | M1-A3 PolarHBondContact O-N 3.13Š| |||
| 2 | A | 45.5 | Very low | 68.4 | Low | 105 Ų | 105 | 149.8 Ų | 149.8 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 114.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E4 | A2-E4 PolarHBondContact O-N 3.42Š| ||
| 3 | A | 53.9 | Low | 69.9 | Low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -62.2 | 122.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | M1 R5 | M1-A3 PolarHBondContact O-N 3.13Å; A3-R5 PolarHBondContact O-N 2.82Å | ||
| 4 | E | 55.1 | Low | 71.1 | Confident | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | trans | -55.7 | 111.1 | 173.4 | -77.1 | 179.2 | 156.2 | 0 | 0 | 109.8 | A2 K6 | A2-E4 PolarHBondContact O-N 3.42Å; E4-K6 PolarHBondContact O-N 3.27Å | ||
| 5 | R | 62.6 | Low | 72.1 | Confident | 240 Ų | 240 | 136.1 Ų | 136.1 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | trans | -74.1 | 98.6 | 172.5 | -65.6 | -174.3 | -171.5 | -179.3 | 2.7 | 108 | A3 T7 | A3-R5 PolarHBondContact O-N 2.82Å; R5-T7 PolarHBondContact O-N 3.1Å | ||
| 6 | K | 65.9 | Low | 73.2 | Confident | 180 Ų | 180 | 133.4 Ų | 133.4 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | trans | -59 | 120.3 | 170.5 | -64.7 | -174.6 | 179.9 | -176.3 | 0 | 108.9 | E4 K8 | E4-K6 PolarHBondContact O-N 3.27Å; K6-K8 PolarHBondContact O-N 3.23Å; K6-K8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | T | 76.4 | Confident | 74.1 | Confident | 142 Ų | 142 | 136.1 Ų | 136.1 | 87% | 0.871 | 68% | 0.684 | S | S | * | * | trans | -69.8 | 104.1 | 176.5 | 50.6 | 0 | 0 | 0 | 0 | 109 | R5 | R5-T7 PolarHBondContact O-N 3.1Š| ||
| 8 | K | 81.1 | Confident | 74.9 | Confident | 191 Ų | 191 | 136.3 Ų | 136.3 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 143.3 | 175.1 | -65.8 | -174.1 | 178.7 | -174.2 | 0 | 110.3 | K6 | K6-K8 PolarHBondContact O-N 3.23Å; K6-K8 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 83.9 | Confident | 75.6 | Confident | 113 Ų | 113 | 132.5 Ų | 132.5 | 59% | 0.592 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68 | 154.9 | 172.2 | -63.2 | 176.3 | 0 | 0 | 0 | 110.8 | L13 | L9-L13 HydrophobicContact CD2-CD2 4.16Š|
| 10 | S | 88.3 | Confident | 76.1 | Confident | 72 Ų | 72 | 130.6 Ų | 130.6 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 148 | 178 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | N12 L13 L14 | S10-N12 VanDerWaalsContact C-N 3.29Å; S10-N12 PolarHBondContact O-N 3.09Å; S10-L13 PolarHBondContact O-N 3.13Å; S10-L13 WeakPolarHBondContact OG-CB 3.43Å; S10-L13 PolarHBondContact OG-N 3.15Å; S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 PolarHBondContact O-N 3.24Å |
| 11 | K | 85.4 | Confident | 76.5 | Confident | 113 Ų | 113 | 135.9 Ų | 135.9 | 49% | 0.491 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -59.8 | -38.6 | 179.4 | -64.5 | -178.2 | 173.2 | -169.3 | 0 | 112.7 | L13 L14 R15 L31 E34 | K11-L13 VanDerWaalsContact C-N 3.35Å; K11-L13 PolarHBondContact O-N 3.43Å; K11-L14 PolarHBondContact O-N 2.74Å; K11-R15 WeakPolarHBondContact O-CB 3.45Å; K11-R15 PolarHBondContact O-N 2.86Å; K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.42Å; K11-E34 IonicContact NZ-OE1 3.69Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 3.42Å; K11-E34 PolarHBondContact NZ-OE2 3.43Å |
| 12 | N | 87.1 | Confident | 78.7 | Confident | 124 Ų | 124 | 127.9 Ų | 127.9 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.5 | -38.6 | 177.7 | -71.4 | -9.7 | 0 | 0 | 0 | 112.5 | S10 | S10-N12 VanDerWaalsContact C-N 3.29Å; S10-N12 PolarHBondContact O-N 3.09Å |
| 13 | L | 87.3 | Confident | 80.5 | Confident | 68 Ų | 68 | 124 Ų | 124 | 36% | 0.356 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.4 | -42.8 | 175 | -178.3 | 64.8 | 0 | 0 | 0 | 110.8 | L9 S10 K11 R15 M16 F18 M19 | L9-L13 HydrophobicContact CD2-CD2 4.16Å; S10-L13 PolarHBondContact O-N 3.13Å; S10-L13 WeakPolarHBondContact OG-CB 3.43Å; S10-L13 PolarHBondContact OG-N 3.15Å; K11-L13 VanDerWaalsContact C-N 3.35Å; K11-L13 PolarHBondContact O-N 3.43Å; L13-R15 PolarHBondContact O-N 3.5Å; L13-M16 VanDerWaalsContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CG 3.45Å; L13-M16 PolarHBondContact O-N 2.66Å; L13-M16 VanDerWaalsContact O-N 3.07Å; L13-F18 HydrophobicContact CD1-CZ 4.15Å; L13-M19 WeakPolarHBondContact O-CG 3.28Å |
| 14 | L | 87.6 | Confident | 81.9 | Confident | 38 Ų | 38 | 125.5 Ų | 125.5 | 20% | 0.199 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -64.4 | -27.5 | -179.2 | -157.8 | 63.9 | 0 | 0 | 0 | 112.3 | S10 K11 M16 L23 L31 | S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 PolarHBondContact O-N 3.24Å; K11-L14 PolarHBondContact O-N 2.74Å; L14-M16 VanDerWaalsContact C-N 3.28Å; L14-M16 PolarHBondContact O-N 3.22Å; L14-L23 HydrophobicContact CB-CD1 4.48Å; L14-L23 HydrophobicContact CD1-CD1 3.55Å; L14-L23 HydrophobicContact CD1-CG 3.85Å; L14-L23 HydrophobicContact CD2-CD1 4.21Å; L14-L23 HydrophobicContact CD2-CG 4.38Å; L14-L23 HydrophobicContact CG-CD1 3.41Å; L14-L23 VanDerWaalsContact CG-CD1 3.41Å; L14-L23 HydrophobicContact CG-CG 3.99Å; L14-L23 VanDerWaalsContact O-CD1 3.26Å; L14-L23 WeakPolarHBondContact O-CD1 3.32Å; L14-L31 HydrophobicContact CB-CD1 4.3Å; L14-L31 HydrophobicContact CD2-CD1 4.11Å; L14-L31 HydrophobicContact CG-CD1 4.13Å |
| 15 | R | 85.1 | Confident | 83.1 | Confident | 137 Ų | 137 | 120.8 Ų | 120.8 | 52% | 0.517 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -17.5 | 174.7 | -162.8 | 173.2 | -174 | -163.6 | -0.5 | 113.8 | K11 L13 Q20 E35 | K11-R15 WeakPolarHBondContact O-CB 3.45Å; K11-R15 PolarHBondContact O-N 2.86Å; L13-R15 PolarHBondContact O-N 3.5Å; R15-Q20 PolarHBondContact O-NE2 3.46Å; R15-E35 IonicContact CZ-OE1 3.24Å; R15-E35 IonicContact NE-OE1 3.37Å; R15-E35 PolarHBondContact NE-OE1 3.35Å; R15-E35 IonicContact NH2-OE1 2.68Å; R15-E35 PolarHBondContact NH2-OE1 3.05Å |
| 16 | M | 90.1 | Very high | 83.8 | Confident | 94 Ų | 94 | 116.2 Ų | 116.2 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -65.6 | 139.5 | -177.3 | -65.2 | -68.3 | 152.3 | 0 | 0 | 112.1 | L13 L14 F18 M19 Q20 | L13-M16 VanDerWaalsContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CG 3.45Å; L13-M16 PolarHBondContact O-N 2.66Å; L13-M16 VanDerWaalsContact O-N 3.07Å; L14-M16 VanDerWaalsContact C-N 3.28Å; L14-M16 PolarHBondContact O-N 3.22Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.86Å; M16-F18 HydrophobicContact CG-CE1 3.84Å; M16-F18 HydrophobicContact CG-CZ 4.24Å; M16-F18 PolarHBondContact O-N 3.39Å; M16-M19 WeakPolarHBondContact O-CB 3.48Å; M16-M19 PolarHBondContact O-N 3.21Å; M16-Q20 PolarHBondContact O-N 2.83Å |
| 17 | K | 89.2 | Confident | 84.6 | Confident | 179 Ų | 179 | 109.7 Ų | 109.7 | 78% | 0.778 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -35.3 | -175.2 | -68.2 | -173.2 | 177.1 | -178.1 | 0 | 114.2 | Q20 | K17-Q20 PolarHBondContact O-N 3.06Š|
| 18 | F | 88.8 | Confident | 85 | Confident | 139 Ų | 139 | 107.6 Ų | 107.6 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -24.3 | -180 | 65 | -91.3 | 0 | 0 | 0 | 113.3 | L13 M16 | L13-F18 HydrophobicContact CD1-CZ 4.15Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.86Å; M16-F18 HydrophobicContact CG-CE1 3.84Å; M16-F18 HydrophobicContact CG-CZ 4.24Å; M16-F18 PolarHBondContact O-N 3.39Å |
| 19 | M | 88.3 | Confident | 85.3 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -26.7 | 174.4 | -68.7 | -75.2 | 97.4 | 0 | 0 | 111.8 | L13 M16 R21 G22 L23 | L13-M19 WeakPolarHBondContact O-CG 3.28Å; M16-M19 WeakPolarHBondContact O-CB 3.48Å; M16-M19 PolarHBondContact O-N 3.21Å; M19-R21 VanDerWaalsContact C-N 3.27Å; M19-R21 PolarHBondContact O-N 3.31Å; M19-R21 VanDerWaalsContact O-N 3.14Å; M19-G22 PolarHBondContact O-N 2.88Å; M19-L23 WeakPolarHBondContact O-CB 3.37Å |
| 20 | Q | 84.8 | Confident | 85.4 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.6 | -174.1 | -69 | 178.7 | -3.6 | 0 | 0 | 115.6 | R15 M16 K17 | R15-Q20 PolarHBondContact O-NE2 3.46Å; M16-Q20 PolarHBondContact O-N 2.83Å; K17-Q20 PolarHBondContact O-N 3.06Å |
| 21 | R | 85.3 | Confident | 85.3 | Confident | 242 Ų | 242 | 102.2 Ų | 102.2 | 91% | 0.913 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -31.1 | -179.4 | -70 | -175.8 | 178.4 | -178.5 | -0.9 | 113.7 | M19 | M19-R21 VanDerWaalsContact C-N 3.27Å; M19-R21 PolarHBondContact O-N 3.31Å; M19-R21 VanDerWaalsContact O-N 3.14Å |
| 22 | G | 80.8 | Confident | 85.4 | Confident | 76 Ų | 76 | 100.4 Ų | 100.4 | 78% | 0.784 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -103.9 | 17 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | M19 | M19-G22 PolarHBondContact O-N 2.88Š|
| 23 | L | 83.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 100.2 Ų | 100.2 | 13% | 0.131 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -99.2 | 132.6 | -169.4 | -158 | 154.3 | 0 | 0 | 0 | 108.7 | L14 M19 S25 T27 K28 L31 | L14-L23 HydrophobicContact CB-CD1 4.48Å; L14-L23 HydrophobicContact CD1-CD1 3.55Å; L14-L23 HydrophobicContact CD1-CG 3.85Å; L14-L23 HydrophobicContact CD2-CD1 4.21Å; L14-L23 HydrophobicContact CD2-CG 4.38Å; L14-L23 HydrophobicContact CG-CD1 3.41Å; L14-L23 VanDerWaalsContact CG-CD1 3.41Å; L14-L23 HydrophobicContact CG-CG 3.99Å; L14-L23 VanDerWaalsContact O-CD1 3.26Å; L14-L23 WeakPolarHBondContact O-CD1 3.32Å; M19-L23 WeakPolarHBondContact O-CB 3.37Å; L23-S25 PolarHBondContact O-N 3.48Å; L23-T27 WeakPolarHBondContact CD2-OG1 3.42Å; L23-K28 HydrophobicContact CD2-CB 3.71Å; L23-L31 HydrophobicContact CD1-CD1 4.47Å |
| 24 | D | 82.9 | Confident | 85.4 | Confident | 121 Ų | 121 | 100.6 Ų | 100.6 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | trans | -60.3 | 138.1 | -178.8 | -66.8 | -36 | 0 | 0 | 0 | 110.2 | E26 T27 K28 | D24-E26 PolarHBondContact O-N 2.84Å; D24-T27 PolarHBondContact N-OG1 3.08Å; D24-T27 PolarHBondContact O-N 2.91Å; D24-T27 PolarHBondContact O-OG1 3.32Å; D24-K28 PolarHBondContact O-N 3.41Å | ||
| 25 | S | 80.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 102 Ų | 102 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -54.3 | -32.9 | -176.8 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | L23 K28 K29 | L23-S25 PolarHBondContact O-N 3.48Å; S25-K28 PolarHBondContact O-N 2.59Å; S25-K29 WeakPolarHBondContact O-CG 3.25Å; S25-K29 PolarHBondContact O-N 3.03Å; S25-K29 VanDerWaalsContact O-N 3.1Å |
| 26 | E | 78 | Confident | 85.4 | Confident | 143 Ų | 143 | 102 Ų | 102 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -45.2 | 175.5 | -60.4 | -172.8 | 164.1 | 0 | 0 | 112.5 | D24 K28 K29 Q30 | D24-E26 PolarHBondContact O-N 2.84Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.33Å; E26-K29 PolarHBondContact O-N 2.81Å; E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 3.49Å; E26-Q30 VanDerWaalsContact O-N 3.13Å |
| 27 | T | 82.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 103.3 Ų | 103.3 | 26% | 0.264 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.9 | -29.3 | 178.1 | 52 | 0 | 0 | 0 | 0 | 112.3 | L23 D24 L31 | L23-T27 WeakPolarHBondContact CD2-OG1 3.42Å; D24-T27 PolarHBondContact N-OG1 3.08Å; D24-T27 PolarHBondContact O-N 2.91Å; D24-T27 PolarHBondContact O-OG1 3.32Å; T27-L31 WeakPolarHBondContact O-CG 3.31Å; T27-L31 PolarHBondContact O-N 3.04Å |
| 28 | K | 85.1 | Confident | 85 | Confident | 98 Ų | 98 | 99 Ų | 99 | 43% | 0.426 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 173.7 | -167.3 | -176.6 | 179 | -160.6 | 0 | 111.3 | L23 D24 S25 E26 Q30 L31 E32 | L23-K28 HydrophobicContact CD2-CB 3.71Å; D24-K28 PolarHBondContact O-N 3.41Å; S25-K28 PolarHBondContact O-N 2.59Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.33Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.37Å; K28-L31 PolarHBondContact O-N 3.41Å; K28-E32 WeakPolarHBondContact CE-OE1 3.23Å; K28-E32 IonicContact NZ-OE1 2.66Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.34Å |
| 29 | K | 87.1 | Confident | 84.9 | Confident | 127 Ų | 127 | 97.4 Ų | 97.4 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.1 | -43.8 | 176.4 | -74.2 | 175 | -179.8 | -176.8 | 0 | 111.9 | S25 E26 L31 E32 E33 | S25-K29 WeakPolarHBondContact O-CG 3.25Å; S25-K29 PolarHBondContact O-N 3.03Å; S25-K29 VanDerWaalsContact O-N 3.1Å; E26-K29 PolarHBondContact O-N 2.81Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.38Å; K29-E32 PolarHBondContact O-N 3.01Å; K29-E33 WeakPolarHBondContact O-CB 3.34Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 3.06Å |
| 30 | Q | 86.2 | Confident | 84.6 | Confident | 111 Ų | 111 | 97.9 Ų | 97.9 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 176.8 | -71.1 | 172.2 | 12.1 | 0 | 0 | 112.5 | E26 K28 E34 | E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 3.49Å; E26-Q30 VanDerWaalsContact O-N 3.13Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.37Å; Q30-E34 WeakPolarHBondContact O-CG 3.29Å; Q30-E34 PolarHBondContact O-N 3.41Å |
| 31 | L | 85.8 | Confident | 84.6 | Confident | 26 Ų | 26 | 99.7 Ų | 99.7 | 14% | 0.136 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.4 | -69.5 | 175 | 0 | 0 | 0 | 112.1 | K11 L14 L23 T27 K28 K29 E34 E35 | K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.42Å; L14-L31 HydrophobicContact CB-CD1 4.3Å; L14-L31 HydrophobicContact CD2-CD1 4.11Å; L14-L31 HydrophobicContact CG-CD1 4.13Å; L23-L31 HydrophobicContact CD1-CD1 4.47Å; T27-L31 WeakPolarHBondContact O-CG 3.31Å; T27-L31 PolarHBondContact O-N 3.04Å; K28-L31 PolarHBondContact O-N 3.41Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.38Å; L31-E34 PolarHBondContact O-N 3.19Å; L31-E35 WeakPolarHBondContact O-CG 3.32Å; L31-E35 PolarHBondContact O-N 3.13Å |
| 32 | E | 87.4 | Confident | 84.7 | Confident | 74 Ų | 74 | 95 Ų | 95 | 35% | 0.346 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 176.8 | -71.5 | 175.5 | -169.7 | 0 | 0 | 112.2 | K28 K29 E35 K36 | K28-E32 WeakPolarHBondContact CE-OE1 3.23Å; K28-E32 IonicContact NZ-OE1 2.66Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.34Å; K29-E32 PolarHBondContact O-N 3.01Å; E32-E35 PolarHBondContact O-N 3.31Å; E32-K36 WeakPolarHBondContact O-CB 3.01Å; E32-K36 VanDerWaalsContact O-CG 3.28Å; E32-K36 WeakPolarHBondContact O-CG 3.41Å; E32-K36 PolarHBondContact O-N 3.5Å |
| 33 | E | 89.1 | Confident | 84.9 | Confident | 120 Ų | 120 | 95.9 Ų | 95.9 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 174.3 | -76.1 | 168.5 | -163.9 | 0 | 0 | 111.6 | K29 E35 K36 K37 | K29-E33 WeakPolarHBondContact O-CB 3.34Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 3.06Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E33-E35 PolarHBondContact O-N 3.29Å; E33-K36 PolarHBondContact O-N 3.06Å; E33-K37 VanDerWaalsContact O-CB 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 PolarHBondContact O-N 3.04Å |
| 34 | E | 85.8 | Confident | 85.1 | Confident | 76 Ų | 76 | 104.5 Ų | 104.5 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 174.5 | -75.2 | 178.6 | -173.7 | 0 | 0 | 111.6 | K11 Q30 L31 K37 I38 | K11-E34 IonicContact NZ-OE1 3.69Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 3.42Å; K11-E34 PolarHBondContact NZ-OE2 3.43Å; Q30-E34 WeakPolarHBondContact O-CG 3.29Å; Q30-E34 PolarHBondContact O-N 3.41Å; L31-E34 PolarHBondContact O-N 3.19Å; E34-K37 WeakPolarHBondContact O-CB 3.48Å; E34-K37 PolarHBondContact O-N 3.1Å; E34-I38 WeakPolarHBondContact O-CD1 3.48Å; E34-I38 VanDerWaalsContact O-CG1 3.29Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 3.12Å |
| 35 | E | 84.8 | Confident | 84.9 | Confident | 67 Ų | 67 | 107.5 Ų | 107.5 | 31% | 0.313 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 174 | -72.5 | -179.3 | 164.1 | 0 | 0 | 112 | R15 L31 E32 E33 K37 I38 I39 | R15-E35 IonicContact CZ-OE1 3.24Å; R15-E35 IonicContact NE-OE1 3.37Å; R15-E35 PolarHBondContact NE-OE1 3.35Å; R15-E35 IonicContact NH2-OE1 2.68Å; R15-E35 PolarHBondContact NH2-OE1 3.05Å; L31-E35 WeakPolarHBondContact O-CG 3.32Å; L31-E35 PolarHBondContact O-N 3.13Å; E32-E35 PolarHBondContact O-N 3.31Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E33-E35 PolarHBondContact O-N 3.29Å; E35-K37 VanDerWaalsContact C-N 3.26Å; E35-K37 PolarHBondContact O-N 3.42Å; E35-I38 PolarHBondContact O-N 2.84Å; E35-I39 WeakPolarHBondContact O-CG1 2.94Å; E35-I39 PolarHBondContact O-N 2.99Å |
| 36 | K | 87.3 | Confident | 85.1 | Confident | 138 Ų | 138 | 109.2 Ų | 109.2 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -36.7 | 175.5 | -74.1 | 173 | -177.1 | 177.9 | 0 | 111.8 | E32 E33 I39 S40 | E32-K36 WeakPolarHBondContact O-CB 3.01Å; E32-K36 VanDerWaalsContact O-CG 3.28Å; E32-K36 WeakPolarHBondContact O-CG 3.41Å; E32-K36 PolarHBondContact O-N 3.5Å; E33-K36 PolarHBondContact O-N 3.06Å; K36-I39 PolarHBondContact O-N 3.49Å; K36-S40 VanDerWaalsContact O-CB 3.32Å; K36-S40 WeakPolarHBondContact O-CB 3.4Å; K36-S40 PolarHBondContact O-N 3.2Å; K36-S40 PolarHBondContact O-OG 2.7Å |
| 37 | K | 87.9 | Confident | 85.1 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 53% | 0.526 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 177.4 | -166.8 | 173.2 | -174.4 | -78.6 | 0 | 111.1 | E33 E34 E35 I39 S40 E41 | E33-K37 VanDerWaalsContact O-CB 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 PolarHBondContact O-N 3.04Å; E34-K37 WeakPolarHBondContact O-CB 3.48Å; E34-K37 PolarHBondContact O-N 3.1Å; E35-K37 VanDerWaalsContact C-N 3.26Å; E35-K37 PolarHBondContact O-N 3.42Å; K37-I39 PolarHBondContact O-N 3.23Å; K37-S40 WeakPolarHBondContact CA-OG 3.34Å; K37-S40 PolarHBondContact O-N 3.27Å; K37-S40 PolarHBondContact O-OG 2.76Å; K37-E41 WeakPolarHBondContact CG-OE1 3.44Å; K37-E41 IonicContact NZ-OE1 3.08Å; K37-E41 PolarHBondContact NZ-OE1 2.81Å; K37-E41 WeakPolarHBondContact O-CB 3.14Å; K37-E41 VanDerWaalsContact O-CG 3.25Å; K37-E41 WeakPolarHBondContact O-CG 3.26Å; K37-E41 PolarHBondContact O-N 3.44Å |
| 38 | I | 84.1 | Confident | 85 | Confident | 88 Ų | 88 | 109.6 Ų | 109.6 | 45% | 0.451 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 175.8 | -65 | 160.9 | 0 | 0 | 0 | 110.4 | E34 E35 S40 E41 E42 | E34-I38 WeakPolarHBondContact O-CD1 3.48Å; E34-I38 VanDerWaalsContact O-CG1 3.29Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 3.12Å; E35-I38 PolarHBondContact O-N 2.84Å; I38-S40 VanDerWaalsContact C-N 3.31Å; I38-S40 PolarHBondContact O-N 2.74Å; I38-E41 PolarHBondContact O-N 3.24Å; I38-E42 WeakPolarHBondContact O-CG 3.4Å; I38-E42 PolarHBondContact O-N 3.39Å |
| 39 | I | 84.8 | Confident | 84.7 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.4 | -64 | 163.9 | 0 | 0 | 0 | 110.7 | E35 K36 K37 E41 E42 H43 | E35-I39 WeakPolarHBondContact O-CG1 2.94Å; E35-I39 PolarHBondContact O-N 2.99Å; K36-I39 PolarHBondContact O-N 3.49Å; K37-I39 PolarHBondContact O-N 3.23Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.3Å; I39-E42 PolarHBondContact O-N 2.99Å; I39-H43 VanDerWaalsContact O-CB 3.23Å; I39-H43 WeakPolarHBondContact O-CB 3.43Å; I39-H43 PolarHBondContact O-N 3.29Å |
| 40 | S | 82.9 | Confident | 84.1 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.7 | -31.3 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | K36 K37 I38 E42 | K36-S40 VanDerWaalsContact O-CB 3.32Å; K36-S40 WeakPolarHBondContact O-CB 3.4Å; K36-S40 PolarHBondContact O-N 3.2Å; K36-S40 PolarHBondContact O-OG 2.7Å; K37-S40 WeakPolarHBondContact CA-OG 3.34Å; K37-S40 PolarHBondContact O-N 3.27Å; K37-S40 PolarHBondContact O-OG 2.76Å; I38-S40 VanDerWaalsContact C-N 3.31Å; I38-S40 PolarHBondContact O-N 2.74Å; S40-E42 VanDerWaalsContact C-N 3.34Å |
| 41 | E | 85.4 | Confident | 83.3 | Confident | 130 Ų | 130 | 111.4 Ų | 111.4 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.3 | -32.4 | 175.7 | -75.2 | 171.6 | -174.2 | 0 | 0 | 111.1 | K37 I38 I39 | K37-E41 WeakPolarHBondContact CG-OE1 3.44Å; K37-E41 IonicContact NZ-OE1 3.08Å; K37-E41 PolarHBondContact NZ-OE1 2.81Å; K37-E41 WeakPolarHBondContact O-CB 3.14Å; K37-E41 VanDerWaalsContact O-CG 3.25Å; K37-E41 WeakPolarHBondContact O-CG 3.26Å; K37-E41 PolarHBondContact O-N 3.44Å; I38-E41 PolarHBondContact O-N 3.24Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.3Å |
| 42 | E | 87.2 | Confident | 82.3 | Confident | 143 Ų | 143 | 117.4 Ų | 117.4 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -83.6 | -23.2 | 175.3 | -68 | 176 | 178.4 | 0 | 0 | 113.2 | I38 I39 S40 W44 | I38-E42 WeakPolarHBondContact O-CG 3.4Å; I38-E42 PolarHBondContact O-N 3.39Å; I39-E42 PolarHBondContact O-N 2.99Å; S40-E42 VanDerWaalsContact C-N 3.34Å; E42-W44 PolarHBondContact O-N 3.14Å; E42-W44 VanDerWaalsContact O-N 3.08Å |
| 43 | H | 85.5 | Confident | 81.3 | Confident | 96 Ų | 96 | 122.2 Ų | 122.2 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | trans | -77.4 | 97.2 | -178.6 | -164.3 | 89.7 | 0 | 0 | 0 | 110.5 | I39 Y45 | I39-H43 VanDerWaalsContact O-CB 3.23Å; I39-H43 WeakPolarHBondContact O-CB 3.43Å; I39-H43 PolarHBondContact O-N 3.29Å; H43-Y45 AromaticContact CD2-CD2 3.99Å; H43-Y45 AromaticContact CD2-CE1 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE1 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE1 3.41Å; H43-Y45 AromaticContact CD2-CE2 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.09Å; H43-Y45 AromaticContact CD2-CZ 3.13Å; H43-Y45 PolarHBondContact CD2-OH 3.45Å; H43-Y45 VanDerWaalsContact CD2-OH 3.31Å; H43-Y45 AromaticContact NE2-CD1 3.88Å; H43-Y45 AromaticContact NE2-CE1 3.26Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.26Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.49Å; H43-Y45 AromaticContact NE2-CZ 3.44Å | ||
| 44 | W | 86.8 | Confident | 80.6 | Confident | 205 Ų | 205 | 124.2 Ų | 124.2 | 78% | 0.777 | 59% | 0.589 | S | S | * | * | trans | -83.9 | 138.6 | 173.6 | 61.4 | -85.3 | 0 | 0 | 0 | 110.4 | E42 L46 | E42-W44 PolarHBondContact O-N 3.14Å; E42-W44 VanDerWaalsContact O-N 3.08Å; W44-L46 HydrophobicContact CZ3-CB 4.12Å | ||
| 45 | Y | 79.5 | Confident | 80.1 | Confident | 184 Ų | 184 | 128.4 Ų | 128.4 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | -106.8 | 141.9 | 173 | -64.9 | -84 | 0 | 0 | 0 | 109.9 | H43 | H43-Y45 AromaticContact CD2-CD2 3.99Å; H43-Y45 AromaticContact CD2-CE1 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE1 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE1 3.41Å; H43-Y45 AromaticContact CD2-CE2 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.09Å; H43-Y45 AromaticContact CD2-CZ 3.13Å; H43-Y45 PolarHBondContact CD2-OH 3.45Å; H43-Y45 VanDerWaalsContact CD2-OH 3.31Å; H43-Y45 AromaticContact NE2-CD1 3.88Å; H43-Y45 AromaticContact NE2-CE1 3.26Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.26Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.49Å; H43-Y45 AromaticContact NE2-CZ 3.44Å | ||
| 46 | L | 83.4 | Confident | 79.9 | Confident | 121 Ų | 121 | 128.8 Ų | 128.8 | 63% | 0.634 | 62% | 0.619 | S | S | * | * | trans | -99.6 | 105.3 | 167.7 | -174.3 | 64.9 | 0 | 0 | 0 | 108.8 | W44 L48 | W44-L46 HydrophobicContact CZ3-CB 4.12Å; L46-L48 HydrophobicContact CD2-CD1 4.12Å; L46-L48 HydrophobicContact CD2-CD2 4.13Å; L46-L48 HydrophobicContact CD2-CG 4.09Å; L46-L48 HydrophobicContact CG-CD2 4.13Å; L46-L48 HydrophobicContact CG-CG 4.03Å; L46-L48 PolarHBondContact O-N 3.01Å; L46-L48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | D | 78.5 | Confident | 79.7 | Confident | 110 Ų | 110 | 131.8 Ų | 131.8 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | trans | -74.6 | 104.1 | 174.3 | -81.5 | -50.3 | 0 | 0 | 0 | 109.8 | P49 K52 | D47-P49 WeakPolarHBondContact O-CD 3.21Å; D47-K52 IonicContact OD1-NZ 2.82Å; D47-K52 PolarHBondContact OD1-NZ 3.48Å | ||
| 48 | L | 80.9 | Confident | 79.8 | Confident | 84 Ų | 84 | 132.2 Ų | 132.2 | 44% | 0.44 | 64% | 0.639 | S | S | . | * | trans | -104.4 | 100.1 | 169.4 | -64.4 | 176.6 | 0 | 0 | 0 | 108.7 | L46 E50 L51 K52 | L46-L48 HydrophobicContact CD2-CD1 4.12Å; L46-L48 HydrophobicContact CD2-CD2 4.13Å; L46-L48 HydrophobicContact CD2-CG 4.09Å; L46-L48 HydrophobicContact CG-CD2 4.13Å; L46-L48 HydrophobicContact CG-CG 4.03Å; L46-L48 PolarHBondContact O-N 3.01Å; L46-L48 VanDerWaalsContact O-N 3.15Å; L48-E50 PolarHBondContact O-N 3.36Å; L48-E50 VanDerWaalsContact O-N 3.13Å; L48-L51 HydrophobicContact CB-CB 4.34Å; L48-L51 HydrophobicContact CB-CD1 4.08Å; L48-L51 HydrophobicContact CD1-CD1 3.77Å; L48-L51 PolarHBondContact O-N 2.92Å; L48-L51 VanDerWaalsContact O-N 3.13Å; L48-K52 PolarHBondContact O-N 3.21Å; L48-K52 VanDerWaalsContact O-N 3.09Å | ||
| 49 | P | 78.3 | Confident | 79.9 | Confident | 99 Ų | 99 | 133.4 Ų | 133.4 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -56.1 | -32.5 | -175.4 | -24.8 | 33.3 | 0 | 0 | 0 | 113.6 | D47 L51 | D47-P49 WeakPolarHBondContact O-CD 3.21Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 2.79Å |
| 50 | E | 74.8 | Confident | 80 | Confident | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.2 | -20.5 | -177 | -62.2 | 179.1 | 176.1 | 0 | 0 | 114.6 | L48 | L48-E50 PolarHBondContact O-N 3.36Å; L48-E50 VanDerWaalsContact O-N 3.13Å |
| 51 | L | 68.9 | Low | 80.2 | Confident | 116 Ų | 116 | 139 Ų | 139 | 61% | 0.607 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -107 | -22.4 | -179.5 | -80.5 | 132.2 | 0 | 0 | 0 | 112.5 | L48 P49 E53 K54 | L48-L51 HydrophobicContact CB-CB 4.34Å; L48-L51 HydrophobicContact CB-CD1 4.08Å; L48-L51 HydrophobicContact CD1-CD1 3.77Å; L48-L51 PolarHBondContact O-N 2.92Å; L48-L51 VanDerWaalsContact O-N 3.13Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 2.79Å; L51-E53 PolarHBondContact O-N 3.37Å; L51-K54 PolarHBondContact O-N 3.11Å |
| 52 | K | 65.4 | Low | 80.4 | Confident | 152 Ų | 152 | 142.2 Ų | 142.2 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.5 | -28.4 | -178 | -164.9 | 169.2 | -171.7 | 161.8 | 0 | 113.3 | D47 L48 | D47-K52 IonicContact OD1-NZ 2.82Å; D47-K52 PolarHBondContact OD1-NZ 3.48Å; L48-K52 PolarHBondContact O-N 3.21Å; L48-K52 VanDerWaalsContact O-N 3.09Å |
| 53 | E | 66.3 | Low | 80.4 | Confident | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -7 | -177.9 | -62.5 | -179.3 | 177.2 | 0 | 0 | 113.2 | L51 | L51-E53 PolarHBondContact O-N 3.37Š|
| 54 | K | 74.4 | Confident | 80.5 | Confident | 161 Ų | 161 | 139.6 Ų | 139.6 | 70% | 0.7 | 67% | 0.667 | S | S | * | * | trans | -107.1 | 81.6 | -175.2 | -65.2 | -178.6 | -175.1 | 169.9 | 0 | 109.7 | L51 | L51-K54 PolarHBondContact O-N 3.11Š| ||
| 55 | E | 75.4 | Confident | 80.4 | Confident | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | trans | -62 | 149.3 | 162 | -166.3 | 55.7 | -121.6 | 0 | 0 | 109.4 | F57 | E55-F57 PolarHBondContact O-N 3.41Å; E55-F57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | S | 80.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 133.1 Ų | 133.1 | 53% | 0.531 | 66% | 0.659 | S | S | . | * | trans | -63.3 | 114.5 | -179.4 | -50.8 | 0 | 0 | 0 | 0 | 109.4 | I58 | S56-I58 VanDerWaalsContact C-N 3.28Å; S56-I58 PolarHBondContact O-N 2.93Å | ||
| 57 | F | 83.6 | Confident | 80.7 | Confident | 200 Ų | 200 | 132.6 Ų | 132.6 | 88% | 0.877 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -67.5 | -31.3 | -180 | -175.9 | -107.6 | 0 | 0 | 0 | 112.4 | E55 | E55-F57 PolarHBondContact O-N 3.41Å; E55-F57 VanDerWaalsContact O-N 3.1Å |
| 58 | I | 88.4 | Confident | 80.8 | Confident | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 66% | 0.659 | S | S | * | * | trans | -134 | 131.5 | 177.6 | -60 | 163.1 | 0 | 0 | 0 | 107.4 | S56 | S56-I58 VanDerWaalsContact C-N 3.28Å; S56-I58 PolarHBondContact O-N 2.93Å | ||
| 59 | I | 87.4 | Confident | 80.9 | Confident | 113 Ų | 113 | 134.5 Ų | 134.5 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | trans | -115.4 | 118.4 | 176 | -57.4 | 172.9 | 0 | 0 | 0 | 106.8 | E61 | I59-E61 HydrophobicContact CG2-CG 3.93Å; I59-E61 PolarHBondContact O-N 3.29Å | ||
| 60 | E | 87.3 | Confident | 81.2 | Confident | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | trans | -84.5 | 106 | 174.8 | -67.4 | -179.2 | -178.9 | 0 | 0 | 108.9 | ||||
| 61 | E | 86.5 | Confident | 81.8 | Confident | 115 Ų | 115 | 131 Ų | 131 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | trans | -103.3 | 135.6 | 173.2 | -65.9 | -157.4 | -172.3 | 0 | 0 | 111.2 | I59 S63 L66 | I59-E61 HydrophobicContact CG2-CG 3.93Å; I59-E61 PolarHBondContact O-N 3.29Å; E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 3.25Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.29Å | ||
| 62 | Q | 89.3 | Confident | 82.8 | Confident | 196 Ų | 196 | 129.2 Ų | 129.2 | 92% | 0.916 | 64% | 0.637 | S | S | * | * | trans | -87.2 | 4.8 | 176.5 | -62.4 | -177.3 | -3.5 | 0 | 0 | 112.8 | ||||
| 63 | S | 88.2 | Confident | 83.9 | Confident | 45 Ų | 45 | 125.3 Ų | 125.3 | 32% | 0.315 | 64% | 0.64 | S | S | . | * | trans | -94.6 | 128.5 | -176.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | E61 L65 | E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 3.25Å; S63-L65 VanDerWaalsContact C-N 3.26Å; S63-L65 WeakPolarHBondContact OG-CB 3.44Å; S63-L65 PolarHBondContact OG-N 3.44Å | ||
| 64 | F | 87.1 | Confident | 85.1 | Confident | 139 Ų | 139 | 124.2 Ų | 124.2 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -78.3 | -11.7 | 171.6 | -63.5 | -79.1 | 0 | 0 | 0 | 112.8 | L66 C67 E68 | F64-L66 PolarHBondContact O-N 3.01Å; F64-L66 VanDerWaalsContact O-N 3.14Å; F64-C67 PolarHBondContact O-N 3.19Å; F64-E68 PolarHBondContact O-N 3.41Å |
| 65 | L | 85.4 | Confident | 85.8 | Confident | 126 Ų | 126 | 120.7 Ų | 120.7 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -60.4 | -26.7 | -177.1 | -65.5 | 170.4 | 0 | 0 | 0 | 113.9 | S63 L70 | S63-L65 VanDerWaalsContact C-N 3.26Å; S63-L65 WeakPolarHBondContact OG-CB 3.44Å; S63-L65 PolarHBondContact OG-N 3.44Å; L65-L70 HydrophobicContact CD2-CD1 4.04Å |
| 66 | L | 84.6 | Confident | 86.5 | Confident | 128 Ų | 128 | 113.3 Ų | 113.3 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -84.1 | -24.4 | 177.4 | -64.4 | -176.7 | 0 | 0 | 0 | 112.7 | E61 F64 | E61-L66 WeakPolarHBondContact OE2-CD1 3.29Å; F64-L66 PolarHBondContact O-N 3.01Å; F64-L66 VanDerWaalsContact O-N 3.14Å |
| 67 | C | 83.2 | Confident | 87 | Confident | 110 Ų | 110 | 116 Ų | 116 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -29.5 | -174.1 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | F64 | F64-C67 PolarHBondContact O-N 3.19Š|
| 68 | E | 81.5 | Confident | 87.3 | Confident | 101 Ų | 101 | 118.7 Ų | 118.7 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -119.1 | 130.8 | -178.5 | -66.8 | -175.1 | 174.5 | 0 | 0 | 110 | F64 L70 | F64-E68 PolarHBondContact O-N 3.41Å; E68-L70 HydrophobicContact CB-CD2 4.23Å; E68-L70 HydrophobicContact CB-CG 3.93Å; E68-L70 PolarHBondContact O-N 3.37Å |
| 69 | D | 81.7 | Confident | 87.4 | Confident | 133 Ų | 133 | 114.4 Ų | 114.4 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | trans | -75.9 | 67.1 | 176.2 | -65.7 | -48.2 | 0 | 0 | 0 | 111.4 | L71 | D69-L71 PolarHBondContact O-N 3.35Š| ||
| 70 | L | 86 | Confident | 87.5 | Confident | 102 Ų | 102 | 118 Ų | 118 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | trans | -70.2 | 128.4 | -174.2 | -68.6 | 173.4 | 0 | 0 | 0 | 112.1 | L65 E68 | L65-L70 HydrophobicContact CD2-CD1 4.04Å; E68-L70 HydrophobicContact CB-CD2 4.23Å; E68-L70 HydrophobicContact CB-CG 3.93Å; E68-L70 PolarHBondContact O-N 3.37Å | ||
| 71 | L | 87.9 | Confident | 87.8 | Confident | 81 Ų | 81 | 111.7 Ų | 111.7 | 42% | 0.424 | 56% | 0.561 | S | S | . | * | trans | -70.9 | 157.3 | 172.7 | -64.3 | 177.1 | 0 | 0 | 0 | 112.1 | D69 G73 N92 H95 | D69-L71 PolarHBondContact O-N 3.35Å; L71-G73 PolarHBondContact O-N 2.68Å; L71-G73 VanDerWaalsContact O-N 3.14Å; L71-N92 HydrophobicContact CD2-CB 4.13Å; L71-H95 HydrophobicContact CD2-CB 3.85Å | ||
| 72 | Y | 89.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 110.5 Ų | 110.5 | 31% | 0.31 | 56% | 0.563 | S | S | . | * | trans | -61.5 | 115.1 | 172.4 | -174.1 | -110.8 | 0 | 0 | 0 | 111.4 | R74 L87 M91 N92 | Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.1Å; Y72-R74 HydrophobicContact CE1-CB 3.6Å; Y72-R74 WeakPolarHBondContact CE1-O 3.43Å; Y72-R74 PolarHBondContact O-N 3.33Å; Y72-L87 HydrophobicContact CE1-CD2 3.68Å; Y72-L87 HydrophobicContact CE1-CG 3.77Å; Y72-L87 VanDerWaalsContact OH-CD2 3.31Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.5Å; Y72-M91 HydrophobicContact CD1-CB 4.42Å; Y72-M91 HydrophobicContact CD2-CB 4.25Å; Y72-M91 HydrophobicContact CD2-CG 4.24Å; Y72-M91 HydrophobicContact CG-CB 3.91Å; Y72-M91 HydrophobicContact CG-CG 4.23Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.43Å; Y72-N92 PolarHBondContact N-OD1 2.98Å | ||
| 73 | G | 88.6 | Confident | 88.2 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 72% | 0.722 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -71.9 | -18 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L71 M75 | L71-G73 PolarHBondContact O-N 2.68Å; L71-G73 VanDerWaalsContact O-N 3.14Å; G73-M75 WeakPolarHBondContact O-CG 3.43Å; G73-M75 PolarHBondContact O-N 2.99Å |
| 74 | R | 90.7 | Very high | 88.3 | Confident | 153 Ų | 153 | 107 Ų | 107 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | trans | -87.8 | 102.2 | 177.9 | -173.3 | 179.1 | 169 | 165.3 | -5.9 | 109.7 | Y72 V84 | Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.1Å; Y72-R74 HydrophobicContact CE1-CB 3.6Å; Y72-R74 WeakPolarHBondContact CE1-O 3.43Å; Y72-R74 PolarHBondContact O-N 3.33Å; R74-V84 HydrophobicContact CG-CG1 3.89Å | ||
| 75 | M | 89.1 | Confident | 88.5 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | trans | -115.4 | 146.4 | -174 | -36.6 | -175.9 | 93.2 | 0 | 0 | 110.7 | G73 F77 M88 | G73-M75 WeakPolarHBondContact O-CG 3.43Å; G73-M75 PolarHBondContact O-N 2.99Å; M75-F77 HydrophobicContact CB-CE2 3.97Å; M75-F77 HydrophobicContact CB-CZ 3.87Å; M75-F77 HydrophobicContact CE-CZ 4.36Å; M75-F77 HydrophobicContact SD-CZ 4.08Å; M75-M88 HydrophobicContact CB-SD 3.96Å; M75-M88 HydrophobicContact CE-SD 4.08Å; M75-M88 HydrophobicContact CG-SD 4.44Å | ||
| 76 | S | 89.9 | Confident | 88.7 | Confident | 9 Ų | 9 | 104 Ų | 104 | 6% | 0.063 | 53% | 0.525 | C | S | . | . | trans | -134.6 | 151.4 | 167.6 | -171.1 | 0 | 0 | 0 | 0 | 107.9 | N81 E85 | S76-N81 PolarHBondContact OG-N 3.39Å; S76-E85 WeakPolarHBondContact O-CG 3.48Å | ||
| 77 | F | 90.3 | Very high | 89 | Confident | 133 Ų | 133 | 100.4 Ų | 100.4 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | trans | -135.1 | 150.9 | -177 | -56.2 | -75.8 | 0 | 0 | 0 | 109.9 | M75 G79 F80 E85 | M75-F77 HydrophobicContact CB-CE2 3.97Å; M75-F77 HydrophobicContact CB-CZ 3.87Å; M75-F77 HydrophobicContact CE-CZ 4.36Å; M75-F77 HydrophobicContact SD-CZ 4.08Å; F77-G79 PolarHBondContact O-N 2.7Å; F77-F80 PolarHBondContact O-N 3.3Å; F77-E85 VanDerWaalsContact CA-OE1 3.3Å; F77-E85 WeakPolarHBondContact CA-OE1 3.44Å; F77-E85 PolarHBondContact N-OE1 3.05Å | ||
| 78 | R | 91.6 | Very high | 89.3 | Confident | 255 Ų | 255 | 96.4 Ų | 96.4 | 96% | 0.962 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 32.8 | 172 | -54 | -177.9 | 177.9 | -169.4 | -1 | 113.6 | E85 | R78-E85 PolarHBondContact N-OE1 3.38Å; R78-E85 VanDerWaalsContact N-OE1 3.09Å |
| 79 | G | 89.9 | Confident | 89.6 | Confident | 42 Ų | 42 | 96 Ų | 96 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 16.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F77 N81 E85 | F77-G79 PolarHBondContact O-N 2.7Å; G79-N81 VanDerWaalsContact C-N 3.28Å; G79-N81 PolarHBondContact O-N 2.7Å; G79-E85 WeakPolarHBondContact CA-OE1 3.33Å; G79-E85 PolarHBondContact N-OE1 3.41Å |
| 80 | F | 89.9 | Confident | 89.9 | Confident | 189 Ų | 189 | 96.3 Ų | 96.3 | 83% | 0.829 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -64.5 | -34.2 | 178.7 | -169.8 | -95.6 | 0 | 0 | 0 | 112.2 | F77 | F77-F80 PolarHBondContact O-N 3.3Š|
| 81 | N | 92.6 | Very high | 90 | Very high | 51 Ų | 51 | 96.5 Ų | 96.5 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | trans | -147.8 | 98.4 | 169.3 | -173.1 | -28.9 | 0 | 0 | 0 | 110.5 | S76 G79 E83 V84 E85 | S76-N81 PolarHBondContact OG-N 3.39Å; G79-N81 VanDerWaalsContact C-N 3.28Å; G79-N81 PolarHBondContact O-N 2.7Å; N81-E83 VanDerWaalsContact C-N 3.26Å; N81-E83 PolarHBondContact O-N 2.81Å; N81-E83 WeakPolarHBondContact OD1-CB 3.46Å; N81-E83 PolarHBondContact OD1-N 3.14Å; N81-E83 VanDerWaalsContact OD1-N 3.11Å; N81-V84 HydrophobicContact CB-CB 4.08Å; N81-V84 HydrophobicContact CB-CG2 4.08Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.41Å; N81-V84 PolarHBondContact O-N 3.34Å; N81-V84 VanDerWaalsContact O-N 3.12Å; N81-V84 PolarHBondContact OD1-N 3.25Å; N81-E85 PolarHBondContact O-N 3.27Å | ||
| 82 | P | 92.3 | Very high | 89.9 | Confident | 91 Ų | 91 | 93.3 Ų | 93.3 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.8 | -30.5 | -178.2 | -26 | 35 | 0 | 0 | 0 | 114.6 | K86 | P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.32Å |
| 83 | E | 91.2 | Very high | 89.5 | Confident | 160 Ų | 160 | 92 Ų | 92 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.6 | -39.4 | 177.7 | -62.4 | -174.9 | 162 | 0 | 0 | 111.2 | N81 K86 L87 | N81-E83 VanDerWaalsContact C-N 3.26Å; N81-E83 PolarHBondContact O-N 2.81Å; N81-E83 WeakPolarHBondContact OD1-CB 3.46Å; N81-E83 PolarHBondContact OD1-N 3.14Å; N81-E83 VanDerWaalsContact OD1-N 3.11Å; E83-K86 PolarHBondContact O-N 3.41Å; E83-L87 WeakPolarHBondContact O-CB 3.49Å; E83-L87 PolarHBondContact O-N 3.2Å |
| 84 | V | 92.1 | Very high | 88.6 | Confident | 8 Ų | 8 | 97.4 Ų | 97.4 | 5% | 0.048 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 111 | R74 N81 K86 L87 M88 | R74-V84 HydrophobicContact CG-CG1 3.89Å; N81-V84 HydrophobicContact CB-CB 4.08Å; N81-V84 HydrophobicContact CB-CG2 4.08Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.41Å; N81-V84 PolarHBondContact O-N 3.34Å; N81-V84 VanDerWaalsContact O-N 3.12Å; N81-V84 PolarHBondContact OD1-N 3.25Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 3.48Å; V84-L87 PolarHBondContact O-N 3.29Å; V84-M88 VanDerWaalsContact O-CB 3.32Å; V84-M88 WeakPolarHBondContact O-CB 3.29Å; V84-M88 PolarHBondContact O-N 3.26Å |
| 85 | E | 89.8 | Confident | 87.4 | Confident | 46 Ų | 46 | 92.6 Ų | 92.6 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 174 | -68 | -173.9 | 169.3 | 0 | 0 | 111.5 | S76 F77 R78 G79 N81 M88 L89 | S76-E85 WeakPolarHBondContact O-CG 3.48Å; F77-E85 VanDerWaalsContact CA-OE1 3.3Å; F77-E85 WeakPolarHBondContact CA-OE1 3.44Å; F77-E85 PolarHBondContact N-OE1 3.05Å; R78-E85 PolarHBondContact N-OE1 3.38Å; R78-E85 VanDerWaalsContact N-OE1 3.09Å; G79-E85 WeakPolarHBondContact CA-OE1 3.33Å; G79-E85 PolarHBondContact N-OE1 3.41Å; N81-E85 PolarHBondContact O-N 3.27Å; E85-M88 PolarHBondContact O-N 3.24Å; E85-L89 VanDerWaalsContact O-CG 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.48Å; E85-L89 PolarHBondContact O-N 3.46Å |
| 86 | K | 90.9 | Very high | 86.2 | Confident | 156 Ų | 156 | 93.4 Ų | 93.4 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 175.2 | -169.1 | 177.6 | -167.2 | 177.2 | 0 | 112 | P82 E83 V84 L89 Q90 | P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.32Å; E83-K86 PolarHBondContact O-N 3.41Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 3.48Å; K86-L89 PolarHBondContact O-N 3.48Å; K86-Q90 PolarHBondContact O-N 2.83Å |
| 87 | L | 89.8 | Confident | 84.7 | Confident | 51 Ų | 51 | 96 Ų | 96 | 27% | 0.267 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.3 | -176.9 | 62.7 | 0 | 0 | 0 | 111.6 | Y72 E83 V84 L89 Q90 M91 | Y72-L87 HydrophobicContact CE1-CD2 3.68Å; Y72-L87 HydrophobicContact CE1-CG 3.77Å; Y72-L87 VanDerWaalsContact OH-CD2 3.31Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.5Å; E83-L87 WeakPolarHBondContact O-CB 3.49Å; E83-L87 PolarHBondContact O-N 3.2Å; V84-L87 PolarHBondContact O-N 3.29Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.43Å; L87-Q90 PolarHBondContact O-N 2.98Å; L87-M91 HydrophobicContact CD1-CE 3.75Å; L87-M91 HydrophobicContact CD1-CG 4Å; L87-M91 HydrophobicContact CG-CG 4.4Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 WeakPolarHBondContact O-CG 3.14Å; L87-M91 PolarHBondContact O-N 2.84Å |
| 88 | M | 89.8 | Confident | 83.2 | Confident | 27 Ų | 27 | 95.5 Ų | 95.5 | 13% | 0.133 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 175.3 | 178.9 | -173.4 | 71 | 0 | 0 | 111.1 | M75 V84 E85 N92 | M75-M88 HydrophobicContact CB-SD 3.96Å; M75-M88 HydrophobicContact CE-SD 4.08Å; M75-M88 HydrophobicContact CG-SD 4.44Å; V84-M88 VanDerWaalsContact O-CB 3.32Å; V84-M88 WeakPolarHBondContact O-CB 3.29Å; V84-M88 PolarHBondContact O-N 3.26Å; E85-M88 PolarHBondContact O-N 3.24Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 PolarHBondContact O-N 2.61Å |
| 89 | L | 87.3 | Confident | 81.6 | Confident | 92 Ų | 92 | 87.6 Ų | 87.6 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.4 | -71.2 | 171.8 | 0 | 0 | 0 | 112.6 | E85 K86 L87 A93 | E85-L89 VanDerWaalsContact O-CG 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.48Å; E85-L89 PolarHBondContact O-N 3.46Å; K86-L89 PolarHBondContact O-N 3.48Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.43Å; L89-A93 WeakPolarHBondContact O-CA 2.93Å; L89-A93 WeakPolarHBondContact O-CB 3.08Å; L89-A93 PolarHBondContact O-N 3.21Å; L89-A93 VanDerWaalsContact O-N 3.14Å |
| 90 | Q | 88.4 | Confident | 79.9 | Confident | 140 Ų | 140 | 89.9 Ų | 89.9 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.9 | -44.6 | 179.9 | -176.7 | 178.4 | -0.3 | 0 | 0 | 112.2 | K86 L87 A93 | K86-Q90 PolarHBondContact O-N 2.83Å; L87-Q90 PolarHBondContact O-N 2.98Å; Q90-A93 WeakPolarHBondContact O-CB 3.22Å |
| 91 | M | 88 | Confident | 78.3 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.9 | -35.4 | -176.2 | -65.1 | -60.3 | -176.3 | 0 | 0 | 112.1 | Y72 L87 | Y72-M91 HydrophobicContact CD1-CB 4.42Å; Y72-M91 HydrophobicContact CD2-CB 4.25Å; Y72-M91 HydrophobicContact CD2-CG 4.24Å; Y72-M91 HydrophobicContact CG-CB 3.91Å; Y72-M91 HydrophobicContact CG-CG 4.23Å; L87-M91 HydrophobicContact CD1-CE 3.75Å; L87-M91 HydrophobicContact CD1-CG 4Å; L87-M91 HydrophobicContact CG-CG 4.4Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 WeakPolarHBondContact O-CG 3.14Å; L87-M91 PolarHBondContact O-N 2.84Å |
| 92 | N | 86.7 | Confident | 76.4 | Confident | 15 Ų | 15 | 92.3 Ų | 92.3 | 8% | 0.08 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 7.9 | 179.2 | -60.1 | -18.6 | 0 | 0 | 0 | 113.3 | L71 Y72 M88 K94 H95 K96 | L71-N92 HydrophobicContact CD2-CB 4.13Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.43Å; Y72-N92 PolarHBondContact N-OD1 2.98Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 PolarHBondContact O-N 2.61Å; N92-K94 PolarHBondContact O-N 3.42Å; N92-H95 PolarHBondContact O-N 3.27Å; N92-K96 PolarHBondContact O-N 3.13Å |
| 93 | A | 80.1 | Confident | 74.4 | Confident | 52 Ų | 52 | 94.6 Ų | 94.6 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -34 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L89 Q90 A97 | L89-A93 WeakPolarHBondContact O-CA 2.93Å; L89-A93 WeakPolarHBondContact O-CB 3.08Å; L89-A93 PolarHBondContact O-N 3.21Å; L89-A93 VanDerWaalsContact O-N 3.14Å; Q90-A93 WeakPolarHBondContact O-CB 3.22Å; A93-A97 PolarHBondContact O-N 3.37Å |
| 94 | K | 69.7 | Low | 72.8 | Confident | 182 Ų | 182 | 92.3 Ų | 92.3 | 79% | 0.791 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.8 | -44.5 | 179.8 | -64.4 | -176.4 | 178.5 | -177.3 | 0 | 111.7 | N92 K96 A97 | N92-K94 PolarHBondContact O-N 3.42Å; K94-K96 PolarHBondContact O-N 3.37Å; K94-A97 PolarHBondContact O-N 3.48Å |
| 95 | H | 65.7 | Low | 71.1 | Confident | 52 Ų | 52 | 96.4 Ų | 96.4 | 24% | 0.241 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 179.9 | -164.5 | -76.3 | 0 | 0 | 0 | 112.4 | L71 N92 A97 E98 E99 | L71-H95 HydrophobicContact CD2-CB 3.85Å; N92-H95 PolarHBondContact O-N 3.27Å; H95-A97 VanDerWaalsContact C-N 3.32Å; H95-A97 PolarHBondContact O-N 2.96Å; H95-E98 PolarHBondContact O-N 3.01Å; H95-E99 IonicContact CE1-OE1 2.59Å; H95-E99 PolarHBondContact CE1-OE1 3.17Å; H95-E99 VanDerWaalsContact CE1-OE1 3.24Å; H95-E99 VanDerWaalsContact ND1-CD 3.33Å; H95-E99 IonicContact ND1-OE1 2.74Å; H95-E99 PolarHBondContact ND1-OE1 3.07Å; H95-E99 IonicContact ND1-OE2 2.84Å; H95-E99 PolarHBondContact ND1-OE2 3.34Å; H95-E99 PolarHBondContact O-N 2.97Å |
| 96 | K | 63.6 | Low | 69.6 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -26.5 | 177.5 | -77.4 | -170.7 | 173.7 | -171.5 | 0 | 114.3 | N92 K94 V100 | N92-K96 PolarHBondContact O-N 3.13Å; K94-K96 PolarHBondContact O-N 3.37Å; K96-V100 WeakPolarHBondContact O-CB 3.32Å; K96-V100 WeakPolarHBondContact O-CG2 3.38Å; K96-V100 PolarHBondContact O-N 3.49Å |
| 97 | A | 60.3 | Low | 68.4 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.5 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A93 K94 H95 E101 | A93-A97 PolarHBondContact O-N 3.37Å; K94-A97 PolarHBondContact O-N 3.48Å; H95-A97 VanDerWaalsContact C-N 3.32Å; H95-A97 PolarHBondContact O-N 2.96Å; A97-E101 PolarHBondContact O-N 3.47Å |
| 98 | E | 57.8 | Low | 67.5 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.8 | -44.3 | 178.7 | -160.8 | 162.3 | -163.7 | 0 | 0 | 111.2 | H95 V100 E101 D102 | H95-E98 PolarHBondContact O-N 3.01Å; E98-V100 VanDerWaalsContact C-N 3.25Å; E98-V100 PolarHBondContact O-N 3.14Å; E98-E101 PolarHBondContact O-N 3.27Å; E98-E101 VanDerWaalsContact O-N 3.14Å; E98-D102 PolarHBondContact O-N 3.07Å |
| 99 | E | 58.3 | Low | 66.8 | Low | 88 Ų | 88 | 107.8 Ų | 107.8 | 41% | 0.411 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.6 | -35 | 172.3 | -77 | 178.9 | 149.1 | 0 | 0 | 112.8 | H95 D102 E103 | H95-E99 IonicContact CE1-OE1 2.59Å; H95-E99 PolarHBondContact CE1-OE1 3.17Å; H95-E99 VanDerWaalsContact CE1-OE1 3.24Å; H95-E99 VanDerWaalsContact ND1-CD 3.33Å; H95-E99 IonicContact ND1-OE1 2.74Å; H95-E99 PolarHBondContact ND1-OE1 3.07Å; H95-E99 IonicContact ND1-OE2 2.84Å; H95-E99 PolarHBondContact ND1-OE2 3.34Å; H95-E99 PolarHBondContact O-N 2.97Å; E99-D102 PolarHBondContact O-N 3.06Å; E99-E103 WeakPolarHBondContact O-CB 3.25Å; E99-E103 VanDerWaalsContact O-CG 3.29Å; E99-E103 WeakPolarHBondContact O-CG 3.32Å; E99-E103 PolarHBondContact O-N 3.04Å |
| 100 | V | 54.9 | Low | 66.6 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.7 | -26.5 | 179.8 | 170.4 | 0 | 0 | 0 | 0 | 112.6 | K96 E98 E103 T104 | K96-V100 WeakPolarHBondContact O-CB 3.32Å; K96-V100 WeakPolarHBondContact O-CG2 3.38Å; K96-V100 PolarHBondContact O-N 3.49Å; E98-V100 VanDerWaalsContact C-N 3.25Å; E98-V100 PolarHBondContact O-N 3.14Å; V100-E103 CarbonylContact O-C 3.54Å; V100-T104 PolarHBondContact O-N 3.14Å |
| 101 | E | 54.8 | Low | 66.2 | Low | 147 Ų | 147 | 105.7 Ų | 105.7 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.8 | -42.1 | 171.3 | -76.6 | -167.9 | 156.2 | 0 | 0 | 110.9 | A97 E98 T104 | A97-E101 PolarHBondContact O-N 3.47Å; E98-E101 PolarHBondContact O-N 3.27Å; E98-E101 VanDerWaalsContact O-N 3.14Å; E101-T104 WeakPolarHBondContact O-CG2 3.46Å; E101-T104 PolarHBondContact O-N 2.88Å; E101-T104 PolarHBondContact O-OG1 2.95Å |
| 102 | D | 53.5 | Low | 65.8 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 77% | 0.765 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.2 | -33.5 | 176.9 | -70.1 | -26.1 | 0 | 0 | 0 | 112.4 | E98 E99 T104 | E98-D102 PolarHBondContact O-N 3.07Å; E99-D102 PolarHBondContact O-N 3.06Å; D102-T104 PolarHBondContact O-N 3Å |
| 103 | E | 50.8 | Low | 65.6 | Low | 139 Ų | 139 | 110.6 Ų | 110.6 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 25.6 | 171.3 | -69.1 | -173.7 | 165.9 | 0 | 0 | 112.9 | E99 V100 V105 | E99-E103 WeakPolarHBondContact O-CB 3.25Å; E99-E103 VanDerWaalsContact O-CG 3.29Å; E99-E103 WeakPolarHBondContact O-CG 3.32Å; E99-E103 PolarHBondContact O-N 3.04Å; V100-E103 CarbonylContact O-C 3.54Å; E103-V105 WeakPolarHBondContact O-CG2 3.4Å; E103-V105 PolarHBondContact O-N 2.82Å |
| 104 | T | 56.2 | Low | 65.8 | Low | 112 Ų | 112 | 112.5 Ų | 112.5 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -70.4 | 58.5 | 161.1 | 51 | 0 | 0 | 0 | 0 | 110.9 | V100 E101 D102 | V100-T104 PolarHBondContact O-N 3.14Å; E101-T104 WeakPolarHBondContact O-CG2 3.46Å; E101-T104 PolarHBondContact O-N 2.88Å; E101-T104 PolarHBondContact O-OG1 2.95Å; D102-T104 PolarHBondContact O-N 3Å |
| 105 | V | 58 | Low | 66.4 | Low | 95 Ų | 95 | 106.6 Ų | 106.6 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | trans | 22.8 | 102 | 155.9 | -150.4 | 0 | 0 | 0 | 0 | 113 | E103 L107 | E103-V105 WeakPolarHBondContact O-CG2 3.4Å; E103-V105 PolarHBondContact O-N 2.82Å; V105-L107 HydrophobicContact CB-CD1 4.49Å; V105-L107 HydrophobicContact CB-CD2 4.27Å; V105-L107 HydrophobicContact CB-CG 3.88Å; V105-L107 HydrophobicContact CG1-CD2 3.49Å; V105-L107 VanDerWaalsContact CG1-CD2 3.49Å; V105-L107 HydrophobicContact CG1-CG 3.62Å; V105-L107 PolarHBondContact O-N 3.14Å | ||
| 106 | E | 57.9 | Low | 67.2 | Low | 192 Ų | 192 | 112.4 Ų | 112.4 | 90% | 0.897 | 59% | 0.585 | S | S | * | * | trans | -59 | 79.3 | 155.9 | -64.6 | -174.9 | 157 | 0 | 0 | 108.2 | D108 | E106-D108 PolarHBondContact O-N 2.84Š| ||
| 107 | L | 65.8 | Low | 67.9 | Low | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | trans | -77.2 | 112.3 | 173.5 | -71.7 | 171.2 | 0 | 0 | 0 | 107 | V105 V109 | V105-L107 HydrophobicContact CB-CD1 4.49Å; V105-L107 HydrophobicContact CB-CD2 4.27Å; V105-L107 HydrophobicContact CB-CG 3.88Å; V105-L107 HydrophobicContact CG1-CD2 3.49Å; V105-L107 VanDerWaalsContact CG1-CD2 3.49Å; V105-L107 HydrophobicContact CG1-CG 3.62Å; V105-L107 PolarHBondContact O-N 3.14Å; L107-V109 PolarHBondContact O-N 2.99Å | ||
| 108 | D | 70.4 | Confident | 68.7 | Low | 165 Ų | 165 | 118.1 Ų | 118.1 | 88% | 0.882 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -56.1 | -18.2 | 174.5 | -71.1 | -34.4 | 0 | 0 | 0 | 113.2 | E106 | E106-D108 PolarHBondContact O-N 2.84Š|
| 109 | V | 75.2 | Confident | 69.6 | Low | 47 Ų | 47 | 119 Ų | 119 | 29% | 0.285 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -135.2 | 122.5 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | L107 E113 | L107-V109 PolarHBondContact O-N 2.99Å; V109-E113 HydrophobicContact CG1-CB 3.84Å; V109-E113 HydrophobicContact CG1-CG 4.06Å |
| 110 | S | 81.7 | Confident | 70.3 | Confident | 65 Ų | 65 | 119.7 Ų | 119.7 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | trans | -66.9 | 147 | 172.6 | 173 | 0 | 0 | 0 | 0 | 111.4 | E112 E113 M114 | S110-E112 PolarHBondContact O-N 3.38Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-E112 PolarHBondContact OG-N 3.31Å; S110-E113 PolarHBondContact O-N 3Å; S110-M114 PolarHBondContact O-N 2.98Å | ||
| 111 | D | 80.4 | Confident | 70.9 | Confident | 123 Ų | 123 | 119.8 Ų | 119.8 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -51.4 | -33.7 | 173.2 | -72 | -9 | 0 | 0 | 0 | 112.5 | M114 A115 | D111-M114 PolarHBondContact O-N 3.4Å; D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3.28Å |
| 112 | E | 80.5 | Confident | 71.6 | Confident | 139 Ų | 139 | 117.3 Ų | 117.3 | 65% | 0.65 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | 175.9 | -63.7 | -173.6 | 179.3 | 0 | 0 | 112.4 | S110 A115 R116 | S110-E112 PolarHBondContact O-N 3.38Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-E112 PolarHBondContact OG-N 3.31Å; E112-A115 PolarHBondContact O-N 3.22Å; E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.26Å |
| 113 | E | 81.7 | Confident | 72.1 | Confident | 84 Ų | 84 | 112.3 Ų | 112.3 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.5 | -38.7 | 178.3 | -172 | -179.7 | 168.7 | 0 | 0 | 110.9 | V109 S110 A115 R116 R117 | V109-E113 HydrophobicContact CG1-CB 3.84Å; V109-E113 HydrophobicContact CG1-CG 4.06Å; S110-E113 PolarHBondContact O-N 3Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.97Å; E113-R116 PolarHBondContact O-N 2.94Å; E113-R117 WeakPolarHBondContact O-CG 3.45Å; E113-R117 PolarHBondContact O-N 3.01Å; E113-R117 VanDerWaalsContact O-N 3.13Å; E113-R117 IonicContact OE1-CZ 3.46Å; E113-R117 IonicContact OE1-NE 3.48Å; E113-R117 PolarHBondContact OE1-NE 3.46Å; E113-R117 IonicContact OE1-NH2 2.61Å; E113-R117 PolarHBondContact OE1-NH2 3.36Å |
| 114 | M | 84.2 | Confident | 72.9 | Confident | 91 Ų | 91 | 109.2 Ų | 109.2 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.6 | -48.4 | 172 | -174.5 | 175.2 | -65.3 | 0 | 0 | 110.5 | S110 D111 R116 R117 Y118 | S110-M114 PolarHBondContact O-N 2.98Å; D111-M114 PolarHBondContact O-N 3.4Å; M114-R116 PolarHBondContact O-N 2.86Å; M114-R117 PolarHBondContact O-N 2.6Å; M114-R117 VanDerWaalsContact O-N 3.17Å; M114-Y118 HydrophobicContact CG-CD2 3.68Å; M114-Y118 HydrophobicContact CG-CE2 3.59Å; M114-Y118 VanDerWaalsContact O-CD2 3.29Å; M114-Y118 WeakPolarHBondContact O-CD2 3.31Å; M114-Y118 PolarHBondContact O-N 2.83Å; M114-Y118 HydrophobicContact SD-CE2 4.07Å |
| 115 | A | 83 | Confident | 73.5 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.2 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | D111 E112 E113 R117 Y118 E119 | D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3.28Å; E112-A115 PolarHBondContact O-N 3.22Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.97Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.31Å; A115-Y118 PolarHBondContact O-N 3.31Å; A115-E119 PolarHBondContact O-N 3.22Å |
| 116 | R | 81.6 | Confident | 73.8 | Confident | 173 Ų | 173 | 105.1 Ų | 105.1 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -38.1 | 177.8 | -69.6 | 179.3 | -173.2 | -165 | 5 | 112.8 | E112 E113 M114 T120 | E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.26Å; E113-R116 PolarHBondContact O-N 2.94Å; M114-R116 PolarHBondContact O-N 2.86Å; R116-T120 PolarHBondContact O-OG1 3.39Å |
| 117 | R | 79.3 | Confident | 74.2 | Confident | 145 Ų | 145 | 100.4 Ų | 100.4 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 175.9 | -68.3 | 179.6 | -174.6 | -153 | 6.5 | 111.8 | E113 M114 A115 T120 L121 | E113-R117 WeakPolarHBondContact O-CG 3.45Å; E113-R117 PolarHBondContact O-N 3.01Å; E113-R117 VanDerWaalsContact O-N 3.13Å; E113-R117 IonicContact OE1-CZ 3.46Å; E113-R117 IonicContact OE1-NE 3.48Å; E113-R117 PolarHBondContact OE1-NE 3.46Å; E113-R117 IonicContact OE1-NH2 2.61Å; E113-R117 PolarHBondContact OE1-NH2 3.36Å; M114-R117 PolarHBondContact O-N 2.6Å; M114-R117 VanDerWaalsContact O-N 3.17Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.31Å; R117-T120 PolarHBondContact O-OG1 3.38Å; R117-T120 VanDerWaalsContact O-OG1 3.07Å; R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.07Å |
| 118 | Y | 77.4 | Confident | 74.3 | Confident | 144 Ų | 144 | 102.7 Ų | 102.7 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.2 | -39.2 | 176.6 | -88.7 | -82 | 0 | 0 | 0 | 112.9 | M114 A115 T120 L121 V122 | M114-Y118 HydrophobicContact CG-CD2 3.68Å; M114-Y118 HydrophobicContact CG-CE2 3.59Å; M114-Y118 VanDerWaalsContact O-CD2 3.29Å; M114-Y118 WeakPolarHBondContact O-CD2 3.31Å; M114-Y118 PolarHBondContact O-N 2.83Å; M114-Y118 HydrophobicContact SD-CE2 4.07Å; A115-Y118 PolarHBondContact O-N 3.31Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.36Å; Y118-L121 PolarHBondContact O-N 3.14Å; Y118-V122 HydrophobicContact CD1-CG2 4.19Å; Y118-V122 WeakPolarHBondContact O-CB 3.4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.46Å; Y118-V122 PolarHBondContact O-N 3.47Å |
| 119 | E | 76.1 | Confident | 74.2 | Confident | 143 Ų | 143 | 103 Ų | 103 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.6 | -48.3 | 177.3 | -174.1 | 174.3 | -161.3 | 0 | 0 | 111.8 | A115 | A115-E119 PolarHBondContact O-N 3.22Å |
| 120 | T | 72.5 | Confident | 73.8 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73 | -34.8 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | R116 R117 Y118 | R116-T120 PolarHBondContact O-OG1 3.39Å; R117-T120 PolarHBondContact O-OG1 3.38Å; R117-T120 VanDerWaalsContact O-OG1 3.07Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.36Å |
| 121 | L | 68.4 | Low | 73.4 | Confident | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -81.7 | -35.7 | -174.2 | -170.6 | 60 | 0 | 0 | 0 | 113.2 | R117 Y118 T124 I125 | R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.07Å; Y118-L121 PolarHBondContact O-N 3.14Å; L121-T124 PolarHBondContact O-N 3.47Å; L121-T124 PolarHBondContact O-OG1 3.25Å; L121-T124 VanDerWaalsContact O-OG1 3.07Å; L121-I125 HydrophobicContact CD1-CD1 3.93Å; L121-I125 HydrophobicContact CD1-CG1 4.45Å; L121-I125 HydrophobicContact CD2-CD1 4.36Å; L121-I125 HydrophobicContact CG-CD1 3.82Å; L121-I125 PolarHBondContact O-N 3.12Å; L121-I125 VanDerWaalsContact O-N 3.14Å |
| 122 | V | 68.4 | Low | 72.8 | Confident | 94 Ų | 94 | 112.7 Ų | 112.7 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -38.1 | -177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | Y118 T124 G126 | Y118-V122 HydrophobicContact CD1-CG2 4.19Å; Y118-V122 WeakPolarHBondContact O-CB 3.4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.46Å; Y118-V122 PolarHBondContact O-N 3.47Å; V122-T124 VanDerWaalsContact C-N 3.31Å; V122-T124 PolarHBondContact O-N 3.03Å; V122-G126 PolarHBondContact O-N 3Å |
| 123 | G | 65.1 | Low | 72.1 | Confident | 38 Ų | 38 | 116.9 Ų | 116.9 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -33 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 124 | T | 67.9 | Low | 71.3 | Confident | 75 Ų | 75 | 116.2 Ų | 116.2 | 46% | 0.46 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -86.8 | -29.5 | -177.7 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | L121 V122 | L121-T124 PolarHBondContact O-N 3.47Å; L121-T124 PolarHBondContact O-OG1 3.25Å; L121-T124 VanDerWaalsContact O-OG1 3.07Å; V122-T124 VanDerWaalsContact C-N 3.31Å; V122-T124 PolarHBondContact O-N 3.03Å |
| 125 | I | 67.6 | Low | 70.4 | Confident | 74 Ų | 74 | 116.6 Ų | 116.6 | 38% | 0.379 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.8 | -37 | 178.4 | -87.6 | 170 | 0 | 0 | 0 | 112.4 | L121 K127 K128 F129 | L121-I125 HydrophobicContact CD1-CD1 3.93Å; L121-I125 HydrophobicContact CD1-CG1 4.45Å; L121-I125 HydrophobicContact CD2-CD1 4.36Å; L121-I125 HydrophobicContact CG-CD1 3.82Å; L121-I125 PolarHBondContact O-N 3.12Å; L121-I125 VanDerWaalsContact O-N 3.14Å; I125-K127 PolarHBondContact O-N 3.4Å; I125-K128 PolarHBondContact O-N 3.43Å; I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 4.01Å; I125-F129 WeakPolarHBondContact O-CD2 3.47Å |
| 126 | G | 65.5 | Low | 69.5 | Low | 47 Ų | 47 | 117.5 Ų | 117.5 | 49% | 0.485 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -56 | -34.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V122 K128 A130 | V122-G126 PolarHBondContact O-N 3Å; G126-K128 PolarHBondContact O-N 3.38Å; G126-A130 PolarHBondContact O-N 3.16Å |
| 127 | K | 65 | Low | 68.7 | Low | 92 Ų | 92 | 113.8 Ų | 113.8 | 40% | 0.4 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.1 | -29.2 | 176.3 | -80.4 | 172.5 | 164.6 | 167.7 | 0 | 113.8 | I125 F129 E140 I146 | I125-K127 PolarHBondContact O-N 3.4Å; K127-F129 VanDerWaalsContact C-N 3.34Å; K127-E140 IonicContact NZ-OE1 2.6Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; K127-I146 HydrophobicContact CD-CD1 3.93Å; K127-I146 HydrophobicContact CG-CD1 4.39Å |
| 128 | K | 67.4 | Low | 68.1 | Low | 164 Ų | 164 | 112.9 Ų | 112.9 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.3 | -21.6 | -176.7 | -62 | -173.7 | -177.3 | -172.1 | 0 | 113 | I125 G126 | I125-K128 PolarHBondContact O-N 3.43Å; G126-K128 PolarHBondContact O-N 3.38Å |
| 129 | F | 69.3 | Low | 67.5 | Low | 171 Ų | 171 | 112 Ų | 112 | 75% | 0.75 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -109.3 | -5.1 | -179.2 | -62.4 | -75.8 | 0 | 0 | 0 | 113.7 | I125 K127 | I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 4.01Å; I125-F129 WeakPolarHBondContact O-CD2 3.47Å; K127-F129 VanDerWaalsContact C-N 3.34Å |
| 130 | A | 67.8 | Low | 66.8 | Low | 35 Ų | 35 | 111.2 Ų | 111.2 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -67.7 | 134.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | G126 | G126-A130 PolarHBondContact O-N 3.16Š|
| 131 | R | 72.7 | Confident | 66.2 | Low | 204 Ų | 204 | 109.3 Ų | 109.3 | 77% | 0.77 | 54% | 0.543 | S | S | * | . | trans | -71.8 | 145.4 | 174.1 | -71 | -178.6 | 167.3 | -168.6 | -3.1 | 108.9 | R133 D134 | R131-R133 PolarHBondContact O-N 3.35Å; R131-D134 PolarHBondContact O-N 3.22Å | ||
| 132 | K | 67.3 | Low | 65.6 | Low | 200 Ų | 200 | 114.9 Ų | 114.9 | 87% | 0.87 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | -21.7 | -175.7 | -162.5 | 171.9 | -178.8 | 178.6 | 0 | 115.1 | ||
| 133 | R | 66.6 | Low | 65.1 | Low | 226 Ų | 226 | 117.2 Ų | 117.2 | 85% | 0.853 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -21.9 | 179.6 | -151.9 | -179.2 | -69.7 | 154.8 | -3.5 | 113.7 | R131 | R131-R133 PolarHBondContact O-N 3.35Š|
| 134 | D | 64.4 | Low | 64.8 | Low | 71 Ų | 71 | 117.6 Ų | 117.6 | 38% | 0.38 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -8.6 | -173.4 | -57.3 | -38.4 | 0 | 0 | 0 | 113 | R131 A136 N137 Y138 | R131-D134 PolarHBondContact O-N 3.22Å; D134-A136 PolarHBondContact O-N 3.47Å; D134-N137 PolarHBondContact O-N 2.98Å; D134-Y138 WeakPolarHBondContact O-CD2 3.14Å |
| 135 | H | 64.4 | Low | 64.2 | Low | 99 Ų | 99 | 118 Ų | 118 | 46% | 0.458 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -62.2 | -25.2 | 178.1 | -79.4 | -90.3 | 0 | 0 | 0 | 113.9 | N137 | H135-N137 PolarHBondContact O-N 3.17Š|
| 136 | A | 65.7 | Low | 63.9 | Low | 77 Ų | 77 | 117 Ų | 117 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -76.5 | -6.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D134 I149 | D134-A136 PolarHBondContact O-N 3.47Å; A136-I149 WeakPolarHBondContact O-CD1 3.49Å |
| 137 | N | 64.8 | Low | 63.6 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 51% | 0.508 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -97.4 | 4.7 | -175.8 | -72.8 | -18.3 | 0 | 0 | 0 | 114 | D134 H135 I149 | D134-N137 PolarHBondContact O-N 2.98Å; H135-N137 PolarHBondContact O-N 3.17Å; N137-I149 PolarHBondContact O-N 3.36Å |
| 138 | Y | 65.9 | Low | 63.6 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 50% | 0.498 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.9 | -172.5 | -70.5 | -78.4 | 0 | 0 | 0 | 110.4 | D134 I146 P148 | D134-Y138 WeakPolarHBondContact O-CD2 3.14Å; Y138-I146 HydrophobicContact CD1-CG2 3.98Å; Y138-I146 HydrophobicContact CG-CG2 4.1Å; Y138-P148 HydrophobicContact CE1-CB 4.41Å |
| 139 | E | 64.7 | Low | 63.6 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116 | 147.7 | 174.9 | -76.3 | -173.7 | -164.6 | 0 | 0 | 110.6 | I146 K147 I149 | E139-I146 CarbonylContact O-C 3.55Å; E139-I146 WeakPolarHBondContact O-CA 3.39Å; E139-K147 PolarHBondContact N-O 3.27Å; E139-K147 PolarHBondContact O-N 2.74Å; E139-I149 HydrophobicContact CB-CG1 4.36Å; E139-I149 HydrophobicContact CG-CD1 3.85Å; E139-I149 HydrophobicContact CG-CG1 3.73Å |
| 140 | E | 60.9 | Low | 63.4 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 60% | 0.598 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91 | 125 | 177.3 | -78.9 | 174.4 | 179.6 | 0 | 0 | 110.2 | K127 I146 | K127-E140 IonicContact NZ-OE1 2.6Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; E140-I146 HydrophobicContact CG-CG1 3.78Å |
| 141 | D | 61.2 | Low | 63.2 | Low | 61 Ų | 61 | 120.2 Ų | 120.2 | 33% | 0.326 | 60% | 0.598 | S | S | . | * | trans | -76.8 | 166.5 | 171.4 | -73.5 | -4.4 | 0 | 0 | 0 | 111.1 | N143 G144 D145 K147 | D141-N143 PolarHBondContact O-N 3.26Å; D141-G144 PolarHBondContact O-N 3.48Å; D141-D145 WeakPolarHBondContact CB-O 3.4Å; D141-D145 PolarHBondContact N-O 3.23Å; D141-K147 WeakPolarHBondContact OD2-CD 3.42Å; D141-K147 WeakPolarHBondContact OD2-CE 3.3Å; D141-K147 IonicContact OD2-NZ 2.7Å; D141-K147 PolarHBondContact OD2-NZ 3.11Å | ||
| 142 | E | 56 | Low | 62.9 | Low | 210 Ų | 210 | 120 Ų | 120 | 98% | 0.981 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -19.5 | -178.5 | -67.2 | -174.8 | 157.3 | 0 | 0 | 114.7 | ||
| 143 | N | 56.5 | Low | 62.9 | Low | 144 Ų | 144 | 120.9 Ų | 120.9 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 2.7 | 175.1 | -69.8 | -22.7 | 0 | 0 | 0 | 114 | D141 D145 | D141-N143 PolarHBondContact O-N 3.26Å; N143-D145 VanDerWaalsContact C-N 3.29Å |
| 144 | G | 58.7 | Low | 63.1 | Low | 46 Ų | 46 | 117.9 Ų | 117.9 | 47% | 0.474 | 60% | 0.604 | S | S | . | * | S | Bend | trans | 82.1 | 2.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D141 | D141-G144 PolarHBondContact O-N 3.48Š|
| 145 | D | 55.8 | Low | 63.3 | Low | 83 Ų | 83 | 124.1 Ų | 124.1 | 44% | 0.444 | 63% | 0.628 | S | S | . | * | trans | -79.7 | 131.4 | 177.1 | -66.8 | -39.4 | 0 | 0 | 0 | 111.3 | D141 N143 | D141-D145 WeakPolarHBondContact CB-O 3.4Å; D141-D145 PolarHBondContact N-O 3.23Å; N143-D145 VanDerWaalsContact C-N 3.29Å | ||
| 146 | I | 60.4 | Low | 63.9 | Low | 53 Ų | 53 | 126.7 Ų | 126.7 | 27% | 0.272 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.7 | -172.8 | -54.1 | 140.2 | 0 | 0 | 0 | 110 | K127 Y138 E139 E140 | K127-I146 HydrophobicContact CD-CD1 3.93Å; K127-I146 HydrophobicContact CG-CD1 4.39Å; Y138-I146 HydrophobicContact CD1-CG2 3.98Å; Y138-I146 HydrophobicContact CG-CG2 4.1Å; E139-I146 CarbonylContact O-C 3.55Å; E139-I146 WeakPolarHBondContact O-CA 3.39Å; E140-I146 HydrophobicContact CG-CG1 3.78Å |
| 147 | K | 60.5 | Low | 64.1 | Low | 116 Ų | 116 | 132.1 Ų | 132.1 | 50% | 0.504 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 147.8 | -179.5 | -67 | -173.3 | -176 | 153 | 0 | 112.3 | E139 D141 | E139-K147 PolarHBondContact N-O 3.27Å; E139-K147 PolarHBondContact O-N 2.74Å; D141-K147 WeakPolarHBondContact OD2-CD 3.42Å; D141-K147 WeakPolarHBondContact OD2-CE 3.3Å; D141-K147 IonicContact OD2-NZ 2.7Å; D141-K147 PolarHBondContact OD2-NZ 3.11Å |
| 148 | P | 64.6 | Low | 64.3 | Low | 92 Ų | 92 | 133 Ų | 133 | 60% | 0.597 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.7 | 176.1 | 28 | -33.6 | 0 | 0 | 0 | 111 | Y138 K150 | Y138-P148 HydrophobicContact CE1-CB 4.41Å; P148-K150 PolarHBondContact O-N 3Å |
| 149 | I | 67.8 | Low | 64.3 | Low | 79 Ų | 79 | 136 Ų | 136 | 41% | 0.405 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 120.1 | 179.9 | -63 | 171.7 | 0 | 0 | 0 | 109.5 | A136 N137 E139 A151 | A136-I149 WeakPolarHBondContact O-CD1 3.49Å; N137-I149 PolarHBondContact O-N 3.36Å; E139-I149 HydrophobicContact CB-CG1 4.36Å; E139-I149 HydrophobicContact CG-CD1 3.85Å; E139-I149 HydrophobicContact CG-CG1 3.73Å; I149-A151 PolarHBondContact O-N 3.34Å |
| 150 | K | 64.8 | Low | 63.9 | Low | 193 Ų | 193 | 141.8 Ų | 141.8 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -71 | 123 | 176.1 | -66.5 | 179.9 | -178.5 | 174.1 | 0 | 109.6 | P148 K152 | P148-K150 PolarHBondContact O-N 3Å; K150-K152 PolarHBondContact O-N 3.23Å |
| 151 | A | 64.3 | Low | 64 | Low | 96 Ų | 96 | 142.5 Ų | 142.5 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I149 K153 | I149-A151 PolarHBondContact O-N 3.34Å; A151-K153 PolarHBondContact O-N 2.87Å |
| 152 | K | 64.9 | Low | 64.2 | Low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.2 | 177.3 | -67 | 177.6 | -178.1 | 174.4 | 0 | 109.5 | K150 M154 | K150-K152 PolarHBondContact O-N 3.23Å; K152-M154 PolarHBondContact O-N 2.82Å; K152-M154 VanDerWaalsContact O-N 3.16Å |
| 153 | K | 68.6 | Low | 64.6 | Low | 217 Ų | 217 | 143.2 Ų | 143.2 | 94% | 0.943 | 73% | 0.732 | S | S | * | * | trans | -65.9 | 112.5 | 174.9 | -64 | -176.7 | 179.8 | -179 | 0 | 108.8 | A151 | A151-K153 PolarHBondContact O-N 2.87Š| ||
| 154 | M | 70.9 | Confident | 65.1 | Low | 163 Ų | 163 | 143.2 Ų | 143.2 | 80% | 0.803 | 73% | 0.73 | S | S | * | * | trans | -83.3 | 147.1 | 174.2 | 52.5 | 168.6 | 34 | 0 | 0 | 111.3 | K152 L156 | K152-M154 PolarHBondContact O-N 2.82Å; K152-M154 VanDerWaalsContact O-N 3.16Å; M154-L156 PolarHBondContact O-N 3.42Å | ||
| 155 | F | 68.8 | Low | 65.5 | Low | 203 Ų | 203 | 149.3 Ų | 149.3 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -72.8 | 114.5 | -179.8 | -150.8 | -96 | 0 | 0 | 0 | 109.5 | ||||
| 156 | L | 76.1 | Confident | 66.1 | Low | 152 Ų | 152 | 153.7 Ų | 153.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -79 | 132.1 | 171 | -89 | 98.5 | 0 | 0 | 0 | 109.6 | M154 | M154-L156 PolarHBondContact O-N 3.42Š|
| 157 | K | 69.3 | Low | 66.5 | Low | 192 Ų | 192 | 160.9 Ų | 160.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.2 | 176 | -141.9 | 177.5 | -176.6 | -173.9 | 0 | 109.5 | ||
| 158 | P | 70.7 | Confident | 67 | Low | 113 Ų | 113 | 164.3 Ų | 164.3 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 146.7 | 176.5 | -18.5 | 30.7 | 0 | 0 | 0 | 111.3 | ||
| 159 | Q | 63.9 | Low | 67.2 | Low | 191 Ų | 191 | 170.3 Ų | 170.3 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 141.9 | 173 | -67.8 | -175 | -24.4 | 0 | 0 | 110 | ||
| 160 | D | 56.5 | Low | 67.2 | Low | 244 Ų | 244 | 178.6 Ų | 178.6 | 100% | 1.305 | 88% | 0.882 | S | S | * | * | trans | -72.3 | 0 | 172.6 | -71.6 | -32.8 | 0 | 0 | 0 | 112.1 |
Retrieved 160 of 160 residues in 27.7 ms
(Link to these results)