| 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 | 45.8 | Very low | 67.2 | Low | 229 Ų | 229 | 139.9 Ų | 139.9 | 100% | 1.128 | 72% | 0.721 | S | S | * | * | 0 | 112.2 | 0 | -65.1 | -57.8 | -174.6 | 0 | 0 | 107.8 | T3 | M1-T3 PolarHBondContact O-N 3.21Š| |||
| 2 | P | 60.8 | Low | 67.5 | Low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 126.7 | 170.7 | 29.6 | -29.4 | 0 | 0 | 0 | 108 | M4 | P2-M4 PolarHBondContact O-N 3.36Š| ||
| 3 | T | 64.9 | Low | 67.8 | Low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -64.8 | 122.2 | 179.9 | 43.1 | 0 | 0 | 0 | 0 | 110 | M1 Q5 | M1-T3 PolarHBondContact O-N 3.21Å; T3-Q5 PolarHBondContact O-N 3.45Å | ||
| 4 | M | 66.7 | Low | 68 | Low | 193 Ų | 193 | 132.8 Ų | 132.8 | 95% | 0.951 | 69% | 0.693 | S | S | * | * | trans | -71.7 | 107 | -179.7 | -161.7 | 174.9 | 173.9 | 0 | 0 | 109.2 | P2 | P2-M4 PolarHBondContact O-N 3.36Š| ||
| 5 | Q | 68.7 | Low | 68.5 | Low | 141 Ų | 141 | 136.1 Ų | 136.1 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | trans | -78 | 144.9 | 179.5 | -144.8 | 157.7 | -8.1 | 0 | 0 | 109.8 | T3 D9 | T3-Q5 PolarHBondContact O-N 3.45Å; Q5-D9 HydrophobicContact CG-CB 4.12Å | ||
| 6 | A | 76.1 | Confident | 69 | Low | 59 Ų | 59 | 137.3 Ų | 137.3 | 49% | 0.488 | 70% | 0.701 | S | S | . | * | trans | -60.1 | 143.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F8 D9 R10 | A6-F8 PolarHBondContact O-N 3.29Å; A6-D9 PolarHBondContact O-N 3.45Å; A6-R10 PolarHBondContact O-N 2.89Å | ||
| 7 | D | 70.3 | Confident | 69.6 | Low | 95 Ų | 95 | 138.9 Ų | 138.9 | 51% | 0.508 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -57.7 | -26.7 | -175.5 | -86.1 | -23.6 | 0 | 0 | 0 | 113.1 | R10 L11 | D7-R10 PolarHBondContact O-N 2.95Å; D7-R10 IonicContact OD1-NH1 3.67Å; D7-L11 HydrophobicContact CB-CD1 4.48Å; D7-L11 WeakPolarHBondContact O-CB 3.29Å; D7-L11 VanDerWaalsContact O-CG 3.29Å; D7-L11 WeakPolarHBondContact O-CG 3.38Å; D7-L11 PolarHBondContact O-N 3.04Å |
| 8 | F | 70 | Confident | 70.1 | Confident | 138 Ų | 138 | 137.3 Ų | 137.3 | 61% | 0.605 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -62.9 | -39.5 | 174.8 | -69 | -70.6 | 0 | 0 | 0 | 113.2 | A6 G12 F14 | A6-F8 PolarHBondContact O-N 3.29Å; F8-G12 PolarHBondContact O-N 3.17Å; F8-F14 AromaticContact CD1-CD2 3.65Å; F8-F14 HydrophobicContact CD1-CD2 3.65Å; F8-F14 AromaticContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CE1-CD2 4.3Å; F8-F14 AromaticContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CZ 4.49Å |
| 9 | D | 70.8 | Confident | 70.7 | Confident | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77 | -31.2 | 175.8 | -69.9 | -17.2 | 0 | 0 | 0 | 111.3 | Q5 A6 | Q5-D9 HydrophobicContact CG-CB 4.12Å; A6-D9 PolarHBondContact O-N 3.45Å |
| 10 | R | 71.8 | Confident | 71.1 | Confident | 197 Ų | 197 | 137.7 Ų | 137.7 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -71.8 | -39.9 | 179.3 | -174.8 | -176.5 | 166.1 | -161.2 | -1.8 | 112.9 | A6 D7 | A6-R10 PolarHBondContact O-N 2.89Å; D7-R10 PolarHBondContact O-N 2.95Å; D7-R10 IonicContact OD1-NH1 3.67Å |
| 11 | L | 72.8 | Confident | 71.5 | Confident | 112 Ų | 112 | 136 Ų | 136 | 59% | 0.586 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -82.8 | -16.1 | -178 | -66.3 | 165.4 | 0 | 0 | 0 | 112.5 | D7 I13 | D7-L11 HydrophobicContact CB-CD1 4.48Å; D7-L11 WeakPolarHBondContact O-CB 3.29Å; D7-L11 VanDerWaalsContact O-CG 3.29Å; D7-L11 WeakPolarHBondContact O-CG 3.38Å; D7-L11 PolarHBondContact O-N 3.04Å; L11-I13 HydrophobicContact CB-CD1 3.53Å; L11-I13 HydrophobicContact CB-CG1 3.57Å; L11-I13 HydrophobicContact CD1-CD1 3.86Å; L11-I13 HydrophobicContact CG-CD1 4.23Å; L11-I13 WeakPolarHBondContact O-CG1 3.49Å; L11-I13 PolarHBondContact O-N 3.42Å |
| 12 | G | 71.5 | Confident | 72.8 | Confident | 48 Ų | 48 | 130.3 Ų | 130.3 | 50% | 0.495 | 68% | 0.678 | S | S | . | * | trans | 66.8 | 14.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | F8 F14 | F8-G12 PolarHBondContact O-N 3.17Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 3.19Å | ||
| 13 | I | 70.7 | Confident | 73.6 | Confident | 117 Ų | 117 | 131.5 Ų | 131.5 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -22.1 | -169.3 | -50.2 | 172 | 0 | 0 | 0 | 111.8 | L11 | L11-I13 HydrophobicContact CB-CD1 3.53Å; L11-I13 HydrophobicContact CB-CG1 3.57Å; L11-I13 HydrophobicContact CD1-CD1 3.86Å; L11-I13 HydrophobicContact CG-CD1 4.23Å; L11-I13 WeakPolarHBondContact O-CG1 3.49Å; L11-I13 PolarHBondContact O-N 3.42Å |
| 14 | F | 70.8 | Confident | 74.1 | Confident | 155 Ų | 155 | 130.5 Ų | 130.5 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 27.2 | -176.1 | -64.2 | -80.6 | 0 | 0 | 0 | 113.6 | F8 G12 E16 | F8-F14 AromaticContact CD1-CD2 3.65Å; F8-F14 HydrophobicContact CD1-CD2 3.65Å; F8-F14 AromaticContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CE1-CD2 4.3Å; F8-F14 AromaticContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CZ 4.49Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 3.19Å; F14-E16 PolarHBondContact O-N 3.3Å |
| 15 | K | 75.1 | Confident | 74.5 | Confident | 182 Ų | 182 | 130.3 Ų | 130.3 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.5 | 171.7 | -167.7 | 174.8 | -178 | 179.3 | 0 | 109.2 | M17 | K15-M17 PolarHBondContact O-N 3.48Š|
| 16 | E | 77.9 | Confident | 74.9 | Confident | 156 Ų | 156 | 132.7 Ų | 132.7 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 127.9 | 175 | -170.2 | 175.9 | -175.1 | 0 | 0 | 110.3 | F14 | F14-E16 PolarHBondContact O-N 3.3Š|
| 17 | M | 78.4 | Confident | 74.6 | Confident | 164 Ų | 164 | 136.7 Ų | 136.7 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 134.8 | 177.5 | -73.6 | -178.1 | 62 | 0 | 0 | 109.8 | K15 Y19 | K15-M17 PolarHBondContact O-N 3.48Å; M17-Y19 PolarHBondContact O-N 3.38Å |
| 18 | S | 79.6 | Confident | 74.5 | Confident | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.7 | 170 | 55.4 | 0 | 0 | 0 | 0 | 110 | ||
| 19 | Y | 81.6 | Confident | 74 | Confident | 152 Ų | 152 | 142.5 Ų | 142.5 | 60% | 0.596 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -71 | 131.5 | 172.2 | -60 | -90.5 | 0 | 0 | 0 | 110.1 | M17 T21 I22 | M17-Y19 PolarHBondContact O-N 3.38Å; Y19-T21 PolarHBondContact O-N 3.34Å; Y19-I22 HydrophobicContact CD2-CD1 3.63Å; Y19-I22 HydrophobicContact CD2-CG1 4.5Å; Y19-I22 HydrophobicContact CG-CD1 3.99Å; Y19-I22 HydrophobicContact CG-CG1 4.42Å |
| 20 | V | 77.1 | Confident | 73.5 | Confident | 131 Ų | 131 | 143.2 Ų | 143.2 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -18.5 | -178 | -158.5 | 0 | 0 | 0 | 0 | 112 | ||
| 21 | T | 80 | Confident | 72.7 | Confident | 102 Ų | 102 | 138.7 Ų | 138.7 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 11.3 | -171 | 59.5 | 0 | 0 | 0 | 0 | 114 | Y19 N23 D24 | Y19-T21 PolarHBondContact O-N 3.34Å; T21-N23 PolarHBondContact O-N 3.41Å; T21-D24 PolarHBondContact O-N 3.3Å |
| 22 | I | 73.6 | Confident | 72.2 | Confident | 109 Ų | 109 | 140.1 Ų | 140.1 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 116.2 | 176.3 | -69.1 | 169.4 | 0 | 0 | 0 | 108.2 | Y19 D24 | Y19-I22 HydrophobicContact CD2-CD1 3.63Å; Y19-I22 HydrophobicContact CD2-CG1 4.5Å; Y19-I22 HydrophobicContact CG-CD1 3.99Å; Y19-I22 HydrophobicContact CG-CG1 4.42Å; I22-D24 VanDerWaalsContact C-N 3.34Å |
| 23 | N | 76.4 | Confident | 71.8 | Confident | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.5 | 9.5 | -172.8 | -52.9 | -37.1 | 0 | 0 | 0 | 116.3 | T21 Q25 | T21-N23 PolarHBondContact O-N 3.41Å; N23-Q25 PolarHBondContact O-N 3.17Å |
| 24 | D | 76.4 | Confident | 71.7 | Confident | 113 Ų | 113 | 146 Ų | 146 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -70 | 116.2 | 165.7 | -90 | -13.4 | 0 | 0 | 0 | 108.9 | T21 I22 Y26 | T21-D24 PolarHBondContact O-N 3.3Å; I22-D24 VanDerWaalsContact C-N 3.34Å; D24-Y26 PolarHBondContact O-N 3.22Å; D24-Y26 VanDerWaalsContact O-N 3.17Å |
| 25 | Q | 75.8 | Confident | 71.9 | Confident | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118.6 | 171.9 | -68.4 | -165.1 | -19.7 | 0 | 0 | 108.2 | N23 D27 | N23-Q25 PolarHBondContact O-N 3.17Å; Q25-D27 PolarHBondContact O-N 2.95Å; Q25-D27 VanDerWaalsContact O-N 3.09Å |
| 26 | Y | 75.4 | Confident | 72.2 | Confident | 191 Ų | 191 | 144.5 Ų | 144.5 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59 | 116.3 | 171.9 | -175.4 | -95 | 0 | 0 | 0 | 109 | D24 K28 | D24-Y26 PolarHBondContact O-N 3.22Å; D24-Y26 VanDerWaalsContact O-N 3.17Å; Y26-K28 HydrophobicContact CD1-CG 4.47Å; Y26-K28 PolarHBondContact O-N 2.91Å |
| 27 | D | 70.4 | Confident | 72.4 | Confident | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | trans | -61.9 | 102.2 | 171.5 | -106.8 | -18.1 | 0 | 0 | 0 | 108.1 | Q25 Q29 | Q25-D27 PolarHBondContact O-N 2.95Å; Q25-D27 VanDerWaalsContact O-N 3.09Å; D27-Q29 PolarHBondContact O-N 3.09Å | ||
| 28 | K | 68.3 | Low | 72.4 | Confident | 184 Ų | 184 | 139.9 Ų | 139.9 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -64.6 | 105.6 | 175.9 | -71.7 | -177.2 | -177.5 | 177.3 | 0 | 107.8 | Y26 | Y26-K28 HydrophobicContact CD1-CG 4.47Å; Y26-K28 PolarHBondContact O-N 2.91Å | ||
| 29 | Q | 60.1 | Low | 72.4 | Confident | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 22.3 | 98.2 | 161.4 | -79.6 | 178.4 | -36.2 | 0 | 0 | 114.3 | D27 | D27-Q29 PolarHBondContact O-N 3.09Š|
| 30 | D | 58.9 | Low | 72.5 | Confident | 126 Ų | 126 | 137.6 Ų | 137.6 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | 50 | 69.4 | 158.9 | -60.2 | -19.8 | 0 | 0 | 0 | 114.7 | H32 | D30-H32 PolarHBondContact O-N 3.01Å; D30-H32 IonicContact OD1-CD2 3.48Å | ||
| 31 | S | 56.7 | Low | 73.1 | Confident | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -67.8 | 17.6 | 155.1 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | Q33 | S31-Q33 VanDerWaalsContact C-N 3.34Å; S31-Q33 PolarHBondContact O-N 2.7Å | ||
| 32 | H | 61 | Low | 73.6 | Confident | 143 Ų | 143 | 140.6 Ų | 140.6 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | trans | -52.9 | 104.6 | 163 | -68.8 | -26.5 | 0 | 0 | 0 | 107 | D30 I34 | D30-H32 PolarHBondContact O-N 3.01Å; D30-H32 IonicContact OD1-CD2 3.48Å; H32-I34 VanDerWaalsContact C-N 3.29Å; H32-I34 PolarHBondContact O-N 2.81Å | ||
| 33 | Q | 63.6 | Low | 74.5 | Confident | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | trans | -49.4 | 100.1 | 174.9 | -69.1 | 176.7 | -0.2 | 0 | 0 | 107.1 | S31 R35 | S31-Q33 VanDerWaalsContact C-N 3.34Å; S31-Q33 PolarHBondContact O-N 2.7Å; Q33-R35 PolarHBondContact O-N 3.2Å | ||
| 34 | I | 68.8 | Low | 75 | Confident | 100 Ų | 100 | 145.4 Ų | 145.4 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | trans | -57.3 | 113 | 179.7 | -66.1 | 171.5 | 0 | 0 | 0 | 104.5 | H32 S36 F38 K39 | H32-I34 VanDerWaalsContact C-N 3.29Å; H32-I34 PolarHBondContact O-N 2.81Å; I34-S36 PolarHBondContact O-N 3.3Å; I34-F38 HydrophobicContact CG2-CB 3.54Å; I34-F38 HydrophobicContact CG2-CD2 4.08Å; I34-F38 HydrophobicContact CG2-CG 4.16Å; I34-K39 HydrophobicContact CG2-CG 4.25Å | ||
| 35 | R | 75.2 | Confident | 75.6 | Confident | 196 Ų | 196 | 145.9 Ų | 145.9 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | trans | -48.6 | 136.5 | -177.7 | -66.2 | -176.2 | 178 | -142.8 | 0 | 107.9 | Q33 A37 F38 | Q33-R35 PolarHBondContact O-N 3.2Å; R35-A37 PolarHBondContact O-N 2.85Å; R35-F38 HydrophobicContact CB-CD2 3.9Å; R35-F38 HydrophobicContact CB-CE2 4.09Å; R35-F38 HydrophobicContact CG-CE2 4.48Å; R35-F38 PolarHBondContact O-N 2.93Å | ||
| 36 | S | 82.1 | Confident | 76 | Confident | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -51.2 | -28.1 | -178.8 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | I34 F38 K39 | I34-S36 PolarHBondContact O-N 3.3Å; S36-F38 PolarHBondContact O-N 2.89Å; S36-K39 CarbonylContact O-C 3.42Å; S36-K39 PolarHBondContact O-N 3Å |
| 37 | A | 82 | Confident | 76.4 | Confident | 65 Ų | 65 | 138.8 Ų | 138.8 | 54% | 0.537 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -54.2 | -30.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R35 Q42 | R35-A37 PolarHBondContact O-N 2.85Å; A37-Q42 PolarHBondContact O-NE2 3.44Å |
| 38 | F | 78.5 | Confident | 76.9 | Confident | 158 Ų | 158 | 136.3 Ų | 136.3 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -84 | -14.9 | 177.2 | -65.4 | -77.1 | 0 | 0 | 0 | 113.2 | I34 R35 S36 | I34-F38 HydrophobicContact CG2-CB 3.54Å; I34-F38 HydrophobicContact CG2-CD2 4.08Å; I34-F38 HydrophobicContact CG2-CG 4.16Å; R35-F38 HydrophobicContact CB-CD2 3.9Å; R35-F38 HydrophobicContact CB-CE2 4.09Å; R35-F38 HydrophobicContact CG-CE2 4.48Å; R35-F38 PolarHBondContact O-N 2.93Å; S36-F38 PolarHBondContact O-N 2.89Å |
| 39 | K | 77.8 | Confident | 77.6 | Confident | 156 Ų | 156 | 133.4 Ų | 133.4 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -113 | 94.7 | 179.1 | -70.8 | -173.8 | 179 | 179.9 | 0 | 109.4 | I34 S36 | I34-K39 HydrophobicContact CG2-CG 4.25Å; S36-K39 CarbonylContact O-C 3.42Å; S36-K39 PolarHBondContact O-N 3Å |
| 40 | G | 84.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 132.9 Ų | 132.9 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 157.7 | 168.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q42 | G40-Q42 PolarHBondContact O-N 3.37Š|
| 41 | K | 90.2 | Very high | 79.5 | Confident | 182 Ų | 182 | 136.8 Ų | 136.8 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 121.1 | 171.6 | -172.3 | 177.5 | -178.6 | -178.3 | 0 | 108.6 | Y44 | K41-Y44 HydrophobicContact CD-CE2 4.46Å; K41-Y44 HydrophobicContact CG-CE2 4.05Å |
| 42 | Q | 89.3 | Confident | 80.6 | Confident | 113 Ų | 113 | 134.6 Ų | 134.6 | 53% | 0.528 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 158.2 | 176.4 | -57.9 | -56.5 | -40.5 | 0 | 0 | 111.1 | A37 G40 Y44 | A37-Q42 PolarHBondContact O-NE2 3.44Å; G40-Q42 PolarHBondContact O-N 3.37Å; Q42-Y44 PolarHBondContact O-N 2.78Å |
| 43 | M | 92 | Very high | 81.6 | Confident | 180 Ų | 180 | 133.1 Ų | 133.1 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127 | 167.1 | -64.9 | -170.8 | -63.8 | 0 | 0 | 108.7 | ||
| 44 | Y | 88.7 | Confident | 82.4 | Confident | 186 Ų | 186 | 129.2 Ų | 129.2 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 126 | 170.9 | -70.2 | -84.5 | 0 | 0 | 0 | 108.4 | K41 Q42 | K41-Y44 HydrophobicContact CD-CE2 4.46Å; K41-Y44 HydrophobicContact CG-CE2 4.05Å; Q42-Y44 PolarHBondContact O-N 2.78Å |
| 45 | C | 88.2 | Confident | 83.1 | Confident | 123 Ų | 123 | 128.8 Ų | 128.8 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 132.8 | 164.6 | -62.9 | 0 | 0 | 0 | 0 | 108.2 | ||
| 46 | D | 83.3 | Confident | 83.5 | Confident | 164 Ų | 164 | 123.8 Ų | 123.8 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 139.2 | 172.9 | -75.4 | -32.3 | 0 | 0 | 0 | 110.5 | ||
| 47 | G | 83.6 | Confident | 83.4 | Confident | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -82 | 163.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K49 | G47-K49 PolarHBondContact O-N 3.17Š|
| 48 | S | 82.3 | Confident | 83.5 | Confident | 92 Ų | 92 | 125.5 Ų | 125.5 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.8 | 173.8 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | H50 | S48-H50 PolarHBondContact O-N 2.95Å; S48-H50 PolarHBondContact OG-NE2 2.89Å |
| 49 | K | 82.2 | Confident | 83.9 | Confident | 123 Ų | 123 | 129 Ų | 129 | 54% | 0.535 | 69% | 0.686 | S | S | . | * | trans | -87.1 | 97.9 | 174.1 | -64.8 | -179.2 | 178.2 | 178 | 0 | 109.8 | G47 D56 | G47-K49 PolarHBondContact O-N 3.17Å; K49-D56 HydrophobicContact CD-CB 3.55Å; K49-D56 IonicContact NZ-OD2 3.7Å; K49-D56 PolarHBondContact NZ-OD2 3.41Å | ||
| 50 | H | 79.3 | Confident | 84.3 | Confident | 161 Ų | 161 | 123.3 Ų | 123.3 | 75% | 0.745 | 67% | 0.672 | S | S | * | * | trans | -79.9 | -23.6 | -178.2 | -66.2 | -68.3 | 0 | 0 | 0 | 114.4 | S48 | S48-H50 PolarHBondContact O-N 2.95Å; S48-H50 PolarHBondContact OG-NE2 2.89Å | ||
| 51 | K | 80.8 | Confident | 84.3 | Confident | 207 Ų | 207 | 125.8 Ų | 125.8 | 90% | 0.9 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -142.4 | 105.3 | -178.4 | -63.8 | -177.4 | -176.5 | 177.4 | 0 | 109.7 | ||
| 52 | S | 79.7 | Confident | 84 | Confident | 55 Ų | 55 | 123.3 Ų | 123.3 | 39% | 0.385 | 67% | 0.667 | S | S | . | * | trans | -139.8 | 138.6 | 169.5 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | N54 | S52-N54 PolarHBondContact OG-O 3.36Š| ||
| 53 | A | 80.2 | Confident | 83.8 | Confident | 112 Ų | 112 | 124.3 Ų | 124.3 | 93% | 0.926 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -76.8 | -10.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 54 | N | 81.3 | Confident | 83.5 | Confident | 107 Ų | 107 | 123.1 Ų | 123.1 | 57% | 0.572 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -91.3 | 162.9 | 175.8 | -62.1 | -6.9 | 0 | 0 | 0 | 110.9 | S52 D56 | S52-N54 PolarHBondContact OG-O 3.36Å; N54-D56 WeakPolarHBondContact CB-OD1 3.49Å; N54-D56 PolarHBondContact O-N 3.38Å |
| 55 | M | 84.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 120.9 Ų | 120.9 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -79.9 | 7.7 | -175.9 | -65.4 | 171.4 | 46.5 | 0 | 0 | 114.5 | G57 Y58 F62 | M55-G57 PolarHBondContact O-N 3.05Å; M55-Y58 HydrophobicContact CB-CD2 4.27Å; M55-Y58 PolarHBondContact O-N 2.96Å; M55-Y58 VanDerWaalsContact O-N 3.08Å; M55-F62 HydrophobicContact CE-CB 3.35Å; M55-F62 HydrophobicContact SD-CB 3.95Å |
| 56 | D | 82.5 | Confident | 83.3 | Confident | 91 Ų | 91 | 121.3 Ų | 121.3 | 49% | 0.487 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -59.7 | -16.8 | -173.6 | -56 | 3.7 | 0 | 0 | 0 | 115.1 | K49 N54 | K49-D56 HydrophobicContact CD-CB 3.55Å; K49-D56 IonicContact NZ-OD2 3.7Å; K49-D56 PolarHBondContact NZ-OD2 3.41Å; N54-D56 WeakPolarHBondContact CB-OD1 3.49Å; N54-D56 PolarHBondContact O-N 3.38Å |
| 57 | G | 81.3 | Confident | 83.2 | Confident | 49 Ų | 49 | 118 Ų | 118 | 51% | 0.505 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -91.7 | -3.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | M55 | M55-G57 PolarHBondContact O-N 3.05Š|
| 58 | Y | 84 | Confident | 83.2 | Confident | 160 Ų | 160 | 118.3 Ų | 118.3 | 63% | 0.627 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -99.9 | 143.2 | -179.7 | -60.5 | -82.1 | 0 | 0 | 0 | 110.7 | M55 G60 | M55-Y58 HydrophobicContact CB-CD2 4.27Å; M55-Y58 PolarHBondContact O-N 2.96Å; M55-Y58 VanDerWaalsContact O-N 3.08Å; Y58-G60 PolarHBondContact O-N 3.2Å; Y58-G60 VanDerWaalsContact O-N 3.13Å |
| 59 | F | 86.2 | Confident | 83.3 | Confident | 231 Ų | 231 | 118.9 Ų | 118.9 | 100% | 1.013 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -71.2 | -0.9 | 177.8 | -67.6 | -75.3 | 0 | 0 | 0 | 114.4 | ||
| 60 | G | 85.5 | Confident | 83.2 | Confident | 38 Ų | 38 | 120.2 Ų | 120.2 | 39% | 0.392 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -164.9 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y58 F62 | Y58-G60 PolarHBondContact O-N 3.2Å; Y58-G60 VanDerWaalsContact O-N 3.13Å; G60-F62 PolarHBondContact O-N 3.39Å |
| 61 | P | 86.2 | Confident | 83.3 | Confident | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | trans | -63.9 | 132 | 176.8 | 27.8 | -33.6 | 0 | 0 | 0 | 110.1 | I63 | P61-I63 PolarHBondContact O-N 2.87Š| ||
| 62 | F | 83.8 | Confident | 83.3 | Confident | 129 Ų | 129 | 118.6 Ų | 118.6 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | trans | -64.4 | 112.8 | 169.9 | -179.7 | -97.9 | 0 | 0 | 0 | 109.5 | M55 G60 R64 | M55-F62 HydrophobicContact CE-CB 3.35Å; M55-F62 HydrophobicContact SD-CB 3.95Å; G60-F62 PolarHBondContact O-N 3.39Å; F62-R64 HydrophobicContact CE1-CB 4Å | ||
| 63 | I | 84.8 | Confident | 83.7 | Confident | 135 Ų | 135 | 119.7 Ų | 119.7 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | trans | -95.7 | 113.2 | 176.3 | -55.5 | 169.1 | 0 | 0 | 0 | 107.3 | P61 | P61-I63 PolarHBondContact O-N 2.87Š| ||
| 64 | R | 85.5 | Confident | 84.2 | Confident | 154 Ų | 154 | 120 Ų | 120 | 58% | 0.581 | 63% | 0.627 | S | S | * | * | trans | -78.6 | 125.5 | 173.7 | 178.1 | 179.5 | -69 | -167.4 | -0.7 | 108.1 | F62 F66 T67 | F62-R64 HydrophobicContact CE1-CB 4Å; R64-F66 PolarHBondContact O-N 3Å; R64-T67 HydrophobicContact CB-CG2 3.75Å; R64-T67 HydrophobicContact CG-CG2 4.39Å; R64-T67 PolarHBondContact O-N 3.22Å; R64-T67 PolarHBondContact O-OG1 2.76Å | ||
| 65 | I | 87.4 | Confident | 84.5 | Confident | 139 Ų | 139 | 122.2 Ų | 122.2 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -23.4 | -177.8 | 56.6 | 173.4 | 0 | 0 | 0 | 114.7 | ||
| 66 | F | 84.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 126.1 Ų | 126.1 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 6.9 | -179.7 | -48.2 | -64.5 | 0 | 0 | 0 | 113.9 | R64 G68 D69 | R64-F66 PolarHBondContact O-N 3Å; F66-G68 PolarHBondContact O-N 3.06Å; F66-D69 HydrophobicContact CB-CB 4.29Å; F66-D69 WeakPolarHBondContact CD1-OD2 3.49Å; F66-D69 PolarHBondContact O-N 3.47Å; F66-D69 VanDerWaalsContact O-N 3.11Å |
| 67 | T | 81.7 | Confident | 85.2 | Confident | 95 Ų | 95 | 126 Ų | 126 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 116.3 | 173.7 | 44.7 | 0 | 0 | 0 | 0 | 109.5 | R64 | R64-T67 HydrophobicContact CB-CG2 3.75Å; R64-T67 HydrophobicContact CG-CG2 4.39Å; R64-T67 PolarHBondContact O-N 3.22Å; R64-T67 PolarHBondContact O-OG1 2.76Å |
| 68 | G | 83.1 | Confident | 85.6 | Confident | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.3 | -14.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F66 N70 | F66-G68 PolarHBondContact O-N 3.06Å; G68-N70 PolarHBondContact O-N 2.81Å |
| 69 | D | 85.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 127.5 Ų | 127.5 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | trans | -74.3 | 111.7 | 174.4 | -74.8 | -8.5 | 0 | 0 | 0 | 109.8 | F66 K71 | F66-D69 HydrophobicContact CB-CB 4.29Å; F66-D69 WeakPolarHBondContact CD1-OD2 3.49Å; F66-D69 PolarHBondContact O-N 3.47Å; F66-D69 VanDerWaalsContact O-N 3.11Å; D69-K71 PolarHBondContact O-N 2.71Å | ||
| 70 | N | 80.3 | Confident | 86.1 | Confident | 150 Ų | 150 | 119.8 Ų | 119.8 | 80% | 0.802 | 61% | 0.606 | S | S | * | * | trans | -69.1 | 128.3 | 168.3 | -72.2 | -41.8 | 0 | 0 | 0 | 108.7 | G68 I72 | G68-N70 PolarHBondContact O-N 2.81Å; N70-I72 PolarHBondContact O-N 3.08Å | ||
| 71 | K | 80.1 | Confident | 86.3 | Confident | 202 Ų | 202 | 123.8 Ų | 123.8 | 88% | 0.878 | 61% | 0.614 | S | S | * | * | trans | -56.9 | 108.4 | 172.9 | -175 | 178 | 179.5 | 179.6 | 0 | 109.4 | D69 D73 | D69-K71 PolarHBondContact O-N 2.71Å; K71-D73 PolarHBondContact O-N 3.08Å | ||
| 72 | I | 82 | Confident | 86.3 | Confident | 133 Ų | 133 | 126.4 Ų | 126.4 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | trans | -73.6 | 110.4 | 174.5 | -58.7 | 176.3 | 0 | 0 | 0 | 107.5 | N70 L74 L77 | N70-I72 PolarHBondContact O-N 3.08Å; I72-L74 PolarHBondContact O-N 3.32Å; I72-L77 HydrophobicContact CG2-CD1 3.35Å; I72-L77 HydrophobicContact CG2-CG 4.07Å | ||
| 73 | D | 87.2 | Confident | 86.5 | Confident | 78 Ų | 78 | 126.3 Ų | 126.3 | 42% | 0.417 | 61% | 0.609 | S | S | . | * | trans | -82.9 | 105.3 | 169.4 | 178.8 | 10 | 0 | 0 | 0 | 109.2 | K71 E75 R76 L77 | K71-D73 PolarHBondContact O-N 3.08Å; D73-E75 PolarHBondContact O-N 2.8Å; D73-E75 WeakPolarHBondContact OD1-CB 3.49Å; D73-E75 PolarHBondContact OD1-N 3.13Å; D73-R76 HydrophobicContact CB-CB 3.81Å; D73-R76 WeakPolarHBondContact O-CB 3.33Å; D73-R76 PolarHBondContact O-N 2.77Å; D73-R76 VanDerWaalsContact O-N 3.1Å; D73-L77 PolarHBondContact O-N 2.79Å | ||
| 74 | L | 89.9 | Confident | 86.6 | Confident | 118 Ų | 118 | 125 Ų | 125 | 62% | 0.618 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.5 | -34.4 | 179.7 | -176.1 | 61.6 | 0 | 0 | 0 | 111.6 | I72 L77 I78 | I72-L74 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 3.26Å; L74-I78 HydrophobicContact CD1-CD1 4.42Å; L74-I78 HydrophobicContact CG-CD1 3.96Å; L74-I78 VanDerWaalsContact O-CG1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.12Å |
| 75 | E | 88.9 | Confident | 86.5 | Confident | 153 Ų | 153 | 118.7 Ų | 118.7 | 72% | 0.715 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.6 | -39.7 | 177.9 | -61.8 | -171.7 | 172.8 | 0 | 0 | 111.2 | D73 I78 R79 | D73-E75 PolarHBondContact O-N 2.8Å; D73-E75 WeakPolarHBondContact OD1-CB 3.49Å; D73-E75 PolarHBondContact OD1-N 3.13Å; E75-I78 PolarHBondContact O-N 3.04Å; E75-R79 WeakPolarHBondContact O-CB 3.31Å; E75-R79 PolarHBondContact O-N 2.78Å |
| 76 | R | 91.1 | Very high | 86.2 | Confident | 174 Ų | 174 | 115.2 Ų | 115.2 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.1 | -45.6 | 172.8 | -179.6 | 180 | 175.6 | 171 | -1 | 111 | D73 R79 I80 | D73-R76 HydrophobicContact CB-CB 3.81Å; D73-R76 WeakPolarHBondContact O-CB 3.33Å; D73-R76 PolarHBondContact O-N 2.77Å; D73-R76 VanDerWaalsContact O-N 3.1Å; R76-R79 PolarHBondContact O-N 3.39Å; R76-I80 HydrophobicContact CG-CD1 4.02Å; R76-I80 WeakPolarHBondContact O-CG1 3.33Å; R76-I80 PolarHBondContact O-N 2.91Å |
| 77 | L | 90.8 | Very high | 86.2 | Confident | 87 Ų | 87 | 116.4 Ų | 116.4 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61 | -49 | 177.2 | -71.9 | -178.7 | 0 | 0 | 0 | 111.9 | I72 D73 L74 R79 I80 Q81 | I72-L77 HydrophobicContact CG2-CD1 3.35Å; I72-L77 HydrophobicContact CG2-CG 4.07Å; D73-L77 PolarHBondContact O-N 2.79Å; L74-L77 PolarHBondContact O-N 3.26Å; L77-R79 PolarHBondContact O-N 3.22Å; L77-I80 PolarHBondContact O-N 3.09Å; L77-I80 VanDerWaalsContact O-N 3.14Å; L77-Q81 PolarHBondContact O-N 3.44Å |
| 78 | I | 89.1 | Confident | 86 | Confident | 77 Ų | 77 | 118.8 Ų | 118.8 | 40% | 0.395 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.9 | -39.2 | 176.9 | -68.7 | 165.5 | 0 | 0 | 0 | 110.7 | L74 E75 R82 | L74-I78 HydrophobicContact CD1-CD1 4.42Å; L74-I78 HydrophobicContact CG-CD1 3.96Å; L74-I78 VanDerWaalsContact O-CG1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.12Å; E75-I78 PolarHBondContact O-N 3.04Å; I78-R82 WeakPolarHBondContact O-CB 3.49Å; I78-R82 PolarHBondContact O-N 3.26Å |
| 79 | R | 89.7 | Confident | 85.5 | Confident | 164 Ų | 164 | 118.6 Ų | 118.6 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.3 | -40.2 | 178.1 | -171.8 | 175.7 | -175.5 | 165.6 | -0.5 | 112.5 | E75 R76 L77 R82 K83 | E75-R79 WeakPolarHBondContact O-CB 3.31Å; E75-R79 PolarHBondContact O-N 2.78Å; R76-R79 PolarHBondContact O-N 3.39Å; L77-R79 PolarHBondContact O-N 3.22Å; R79-R82 PolarHBondContact O-N 2.77Å; R79-K83 WeakPolarHBondContact O-CG 3.44Å; R79-K83 PolarHBondContact O-N 3.24Å; R79-K83 VanDerWaalsContact O-N 3.08Å |
| 80 | I | 91.5 | Very high | 84.9 | Confident | 69 Ų | 69 | 119.9 Ų | 119.9 | 35% | 0.354 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -51.1 | 174.6 | -69.9 | 165.5 | 0 | 0 | 0 | 109.4 | R76 L77 R82 K83 E84 | R76-I80 HydrophobicContact CG-CD1 4.02Å; R76-I80 WeakPolarHBondContact O-CG1 3.33Å; R76-I80 PolarHBondContact O-N 2.91Å; L77-I80 PolarHBondContact O-N 3.09Å; L77-I80 VanDerWaalsContact O-N 3.14Å; I80-R82 VanDerWaalsContact C-N 3.3Å; I80-R82 PolarHBondContact O-N 2.87Å; I80-K83 WeakPolarHBondContact O-CB 3.48Å; I80-K83 PolarHBondContact O-N 3.11Å; I80-E84 HydrophobicContact CG2-CG 4.5Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.42Å; I80-E84 WeakPolarHBondContact O-CG 3.33Å; I80-E84 PolarHBondContact O-N 3.46Å |
| 81 | Q | 89 | Confident | 84.6 | Confident | 122 Ų | 122 | 116.8 Ų | 116.8 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.2 | -42.1 | 178.6 | -171.9 | -178.4 | 7.5 | 0 | 0 | 112.1 | L77 E84 S85 | L77-Q81 PolarHBondContact O-N 3.44Å; Q81-E84 PolarHBondContact O-N 2.93Å; Q81-S85 PolarHBondContact O-N 3.06Å; Q81-S85 PolarHBondContact O-OG 3.11Å |
| 82 | R | 86.1 | Confident | 84.1 | Confident | 167 Ų | 167 | 114.6 Ų | 114.6 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -39.3 | 176.3 | -169.7 | -176 | -59.4 | 162.3 | 3.6 | 112.7 | I78 R79 I80 S85 S86 | I78-R82 WeakPolarHBondContact O-CB 3.49Å; I78-R82 PolarHBondContact O-N 3.26Å; R79-R82 PolarHBondContact O-N 2.77Å; I80-R82 VanDerWaalsContact C-N 3.3Å; I80-R82 PolarHBondContact O-N 2.87Å; R82-S85 WeakPolarHBondContact CA-OG 3.4Å; R82-S85 PolarHBondContact O-OG 3.12Å; R82-S85 VanDerWaalsContact O-OG 3.07Å; R82-S86 VanDerWaalsContact O-CB 3.32Å; R82-S86 WeakPolarHBondContact O-CB 3.44Å; R82-S86 PolarHBondContact O-N 2.83Å |
| 83 | K | 88.6 | Confident | 83.7 | Confident | 126 Ų | 126 | 115.9 Ų | 115.9 | 55% | 0.548 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -42.5 | 176 | -77.5 | 179.9 | 174.1 | -175.2 | 0 | 110.9 | R79 I80 S86 K87 | R79-K83 WeakPolarHBondContact O-CG 3.44Å; R79-K83 PolarHBondContact O-N 3.24Å; R79-K83 VanDerWaalsContact O-N 3.08Å; I80-K83 WeakPolarHBondContact O-CB 3.48Å; I80-K83 PolarHBondContact O-N 3.11Å; K83-S86 PolarHBondContact O-N 2.92Å; K83-K87 WeakPolarHBondContact O-CG 3.47Å; K83-K87 PolarHBondContact O-N 2.92Å |
| 84 | E | 87.2 | Confident | 82.9 | Confident | 108 Ų | 108 | 121.7 Ų | 121.7 | 51% | 0.505 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -44.8 | 178 | -70.9 | 175 | 177.7 | 0 | 0 | 112.4 | I80 Q81 S86 K87 K88 | I80-E84 HydrophobicContact CG2-CG 4.5Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.42Å; I80-E84 WeakPolarHBondContact O-CG 3.33Å; I80-E84 PolarHBondContact O-N 3.46Å; Q81-E84 PolarHBondContact O-N 2.93Å; E84-S86 VanDerWaalsContact C-N 3.34Å; E84-S86 PolarHBondContact O-N 2.77Å; E84-K87 PolarHBondContact O-N 3.21Å; E84-K88 WeakPolarHBondContact O-CG 3.35Å; E84-K88 PolarHBondContact O-N 2.87Å |
| 85 | S | 82.7 | Confident | 81.8 | Confident | 22 Ų | 22 | 118.9 Ų | 118.9 | 15% | 0.154 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -64.1 | -39.3 | 175.9 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | Q81 R82 K87 K88 I89 P97 | Q81-S85 PolarHBondContact O-N 3.06Å; Q81-S85 PolarHBondContact O-OG 3.11Å; R82-S85 WeakPolarHBondContact CA-OG 3.4Å; R82-S85 PolarHBondContact O-OG 3.12Å; R82-S85 VanDerWaalsContact O-OG 3.07Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact O-N 3.12Å; S85-K88 WeakPolarHBondContact O-CB 3.34Å; S85-K88 PolarHBondContact O-N 3.36Å; S85-K88 VanDerWaalsContact O-N 3.16Å; S85-I89 PolarHBondContact O-N 3.18Å; S85-P97 WeakPolarHBondContact CB-O 3.2Å |
| 86 | S | 81.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 115.7 Ų | 115.7 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -37.2 | 174.5 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | R82 K83 E84 K88 I89 | R82-S86 VanDerWaalsContact O-CB 3.32Å; R82-S86 WeakPolarHBondContact O-CB 3.44Å; R82-S86 PolarHBondContact O-N 2.83Å; K83-S86 PolarHBondContact O-N 2.92Å; E84-S86 VanDerWaalsContact C-N 3.34Å; E84-S86 PolarHBondContact O-N 2.77Å; S86-K88 VanDerWaalsContact C-N 3.28Å; S86-K88 PolarHBondContact O-N 2.78Å; S86-I89 PolarHBondContact O-N 2.82Å |
| 87 | K | 83.7 | Confident | 79.6 | Confident | 159 Ų | 159 | 110.4 Ų | 110.4 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -31.3 | 175.7 | -74.5 | 176.9 | -179.5 | -175.1 | 0 | 112.5 | K83 E84 S85 I89 | K83-K87 WeakPolarHBondContact O-CG 3.47Å; K83-K87 PolarHBondContact O-N 2.92Å; E84-K87 PolarHBondContact O-N 3.21Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact O-N 3.12Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 2.89Å |
| 88 | K | 77.9 | Confident | 78.3 | Confident | 145 Ų | 145 | 112.6 Ų | 112.6 | 63% | 0.63 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -26.8 | 178.3 | -66.4 | 175.5 | -175.6 | -178.9 | 0 | 113.2 | E84 S85 S86 | E84-K88 WeakPolarHBondContact O-CG 3.35Å; E84-K88 PolarHBondContact O-N 2.87Å; S85-K88 WeakPolarHBondContact O-CB 3.34Å; S85-K88 PolarHBondContact O-N 3.36Å; S85-K88 VanDerWaalsContact O-N 3.16Å; S86-K88 VanDerWaalsContact C-N 3.28Å; S86-K88 PolarHBondContact O-N 2.78Å |
| 89 | I | 73.5 | Confident | 77.1 | Confident | 67 Ų | 67 | 111.3 Ų | 111.3 | 34% | 0.344 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -79.5 | -27.1 | -177.8 | -63.3 | 168.9 | 0 | 0 | 0 | 111.8 | S85 S86 K87 G91 P97 | S85-I89 PolarHBondContact O-N 3.18Å; S86-I89 PolarHBondContact O-N 2.82Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 2.89Å; I89-G91 PolarHBondContact O-N 3.1Å; I89-P97 HydrophobicContact CD1-CB 4.24Å |
| 90 | I | 71.9 | Confident | 75.6 | Confident | 131 Ų | 131 | 110.6 Ų | 110.6 | 67% | 0.672 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 116.8 | -175.7 | -60.3 | 169.3 | 0 | 0 | 0 | 109.9 | K92 | I90-K92 PolarHBondContact O-N 2.64Š|
| 91 | G | 73.9 | Confident | 74.4 | Confident | 85 Ų | 85 | 111.8 Ų | 111.8 | 88% | 0.876 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.5 | 5.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | I89 | I89-G91 PolarHBondContact O-N 3.1Š|
| 92 | K | 70.3 | Confident | 73.2 | Confident | 157 Ų | 157 | 114 Ų | 114 | 68% | 0.683 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -117.9 | 158.4 | 177.3 | -65.3 | -177.6 | -178.9 | -177.6 | 0 | 110.8 | I90 W94 | I90-K92 PolarHBondContact O-N 2.64Å; K92-W94 PolarHBondContact O-N 3.42Å |
| 93 | N | 72.7 | Confident | 72.1 | Confident | 160 Ų | 160 | 113.6 Ų | 113.6 | 86% | 0.856 | 61% | 0.61 | S | S | * | * | trans | -53.8 | 137.4 | 168.9 | -71.3 | 4.3 | 0 | 0 | 0 | 108.9 | A95 | N93-A95 PolarHBondContact O-N 3.11Š| ||
| 94 | W | 71.3 | Confident | 70.9 | Confident | 200 Ų | 200 | 111.6 Ų | 111.6 | 76% | 0.758 | 61% | 0.605 | S | S | * | * | trans | -53.4 | 116.8 | -177.7 | -179.4 | 86.8 | 0 | 0 | 0 | 110 | K92 | K92-W94 PolarHBondContact O-N 3.42Š| ||
| 95 | A | 66.4 | Low | 69.6 | Low | 58 Ų | 58 | 109.1 Ų | 109.1 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | trans | -118.1 | 141.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | N93 | N93-A95 PolarHBondContact O-N 3.11Š| ||
| 96 | P | 68.7 | Low | 68.4 | Low | 87 Ų | 87 | 117 Ų | 117 | 57% | 0.565 | 65% | 0.647 | S | S | * | * | trans | -56.3 | 136.9 | 178.4 | 21.7 | -31.2 | 0 | 0 | 0 | 110.2 | N98 | P96-N98 PolarHBondContact O-N 3.21Å; P96-N98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | P | 64.3 | Low | 67.5 | Low | 63 Ų | 63 | 117.5 Ų | 117.5 | 41% | 0.409 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -70.5 | -10.3 | -172.5 | 25.4 | -33.6 | 0 | 0 | 0 | 114.3 | S85 I89 | S85-P97 WeakPolarHBondContact CB-O 3.2Å; I89-P97 HydrophobicContact CD1-CB 4.24Å |
| 98 | N | 65.2 | Low | 66.5 | Low | 132 Ų | 132 | 111.1 Ų | 111.1 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -78.5 | 130.3 | -178.3 | -67.4 | -1.7 | 0 | 0 | 0 | 108.6 | P96 | P96-N98 PolarHBondContact O-N 3.21Å; P96-N98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | G | 62.5 | Low | 65.9 | Low | 50 Ų | 50 | 108.5 Ų | 108.5 | 52% | 0.515 | 64% | 0.639 | S | S | . | * | trans | -63.9 | 179 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H101 | G99-H101 PolarHBondContact O-N 3.22Š| ||
| 100 | T | 57.8 | Low | 65.2 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 92% | 0.92 | 64% | 0.644 | S | S | * | * | trans | -49 | 103.6 | 174.4 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 101 | H | 66.3 | Low | 64.6 | Low | 94 Ų | 94 | 106 Ų | 106 | 44% | 0.435 | 63% | 0.626 | S | S | . | * | trans | -75.7 | 153.4 | 166.1 | 47.7 | -67.3 | 0 | 0 | 0 | 108.2 | G99 L103 D111 | G99-H101 PolarHBondContact O-N 3.22Å; H101-L103 PolarHBondContact O-N 2.88Å; H101-D111 IonicContact CD2-OD1 2.7Å; H101-D111 IonicContact CD2-OD2 3.76Å; H101-D111 PolarHBondContact CD2-OD2 3.35Å; H101-D111 IonicContact CE1-OD1 3.29Å; H101-D111 PolarHBondContact CE1-OD1 2.9Å; H101-D111 IonicContact CE1-OD2 2.86Å; H101-D111 IonicContact NE2-OD1 2.76Å; H101-D111 PolarHBondContact NE2-OD1 3.49Å; H101-D111 IonicContact NE2-OD2 3.8Å; H101-D111 PolarHBondContact NE2-OD2 2.88Å | ||
| 102 | H | 65.6 | Low | 64.1 | Low | 169 Ų | 169 | 105.3 Ų | 105.3 | 78% | 0.782 | 61% | 0.605 | S | S | * | * | trans | -57.7 | 132.2 | 173.7 | -66.9 | -75.9 | 0 | 0 | 0 | 108.2 | L104 | H102-L104 PolarHBondContact O-N 3.22Š| ||
| 103 | L | 62 | Low | 63.7 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 82% | 0.822 | 61% | 0.605 | S | S | * | * | trans | -54.8 | 107 | 171.6 | -73 | 163.1 | 0 | 0 | 0 | 107.2 | H101 | H101-L103 PolarHBondContact O-N 2.88Š| ||
| 104 | L | 62.8 | Low | 63.3 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 44% | 0.44 | 60% | 0.601 | S | S | . | * | trans | -81.7 | 130.8 | 175.1 | -70.2 | 161.5 | 0 | 0 | 0 | 107.1 | H102 S108 I110 | H102-L104 PolarHBondContact O-N 3.22Å; L104-S108 VanDerWaalsContact CB-CB 3.45Å; L104-S108 WeakPolarHBondContact CB-OG 3.46Å; L104-S108 PolarHBondContact O-OG 3.2Å; L104-I110 HydrophobicContact CD1-CD1 3.36Å; L104-I110 HydrophobicContact CD1-CG1 3.56Å | ||
| 105 | G | 61 | Low | 63 | Low | 56 Ų | 56 | 96 Ų | 96 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | trans | -66.4 | -178.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | G107 S108 | G105-G107 PolarHBondContact O-N 3.26Å; G105-G107 VanDerWaalsContact O-N 3.11Å; G105-S108 PolarHBondContact O-N 3.29Å; G105-S108 PolarHBondContact O-OG 2.92Å; G105-S108 VanDerWaalsContact O-OG 3.04Å | ||
| 106 | L | 56.7 | Low | 62.9 | Low | 187 Ų | 187 | 99.8 Ų | 99.8 | 98% | 0.979 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.7 | 118.4 | 175.5 | -78.2 | 156.6 | 0 | 0 | 0 | 111.4 | ||
| 107 | G | 63.1 | Low | 62.8 | Low | 76 Ų | 76 | 98.1 Ų | 98.1 | 78% | 0.784 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.7 | -7.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G105 | G105-G107 PolarHBondContact O-N 3.26Å; G105-G107 VanDerWaalsContact O-N 3.11Å |
| 108 | S | 63 | Low | 63 | Low | 25 Ų | 25 | 98.8 Ų | 98.8 | 18% | 0.175 | 61% | 0.605 | C | S | . | * | trans | -77.3 | 146.4 | 169.3 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | L104 G105 I110 T112 | L104-S108 VanDerWaalsContact CB-CB 3.45Å; L104-S108 WeakPolarHBondContact CB-OG 3.46Å; L104-S108 PolarHBondContact O-OG 3.2Å; G105-S108 PolarHBondContact O-N 3.29Å; G105-S108 PolarHBondContact O-OG 2.92Å; G105-S108 VanDerWaalsContact O-OG 3.04Å; S108-I110 WeakPolarHBondContact CB-O 3.31Å; S108-I110 PolarHBondContact O-N 3.3Å; S108-I110 PolarHBondContact OG-O 3.15Å; S108-T112 PolarHBondContact O-OG1 3.39Å | ||
| 109 | S | 64.4 | Low | 63.1 | Low | 91 Ų | 91 | 102.4 Ų | 102.4 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -75.1 | -4.6 | 175.7 | 62.9 | 0 | 0 | 0 | 0 | 114 | ||
| 110 | I | 58.9 | Low | 63.2 | Low | 88 Ų | 88 | 107.4 Ų | 107.4 | 45% | 0.451 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -125 | 139.6 | 178.3 | 50 | 171.5 | 0 | 0 | 0 | 107.3 | L104 S108 T112 | L104-I110 HydrophobicContact CD1-CD1 3.36Å; L104-I110 HydrophobicContact CD1-CG1 3.56Å; S108-I110 WeakPolarHBondContact CB-O 3.31Å; S108-I110 PolarHBondContact O-N 3.3Å; S108-I110 PolarHBondContact OG-O 3.15Å; I110-T112 VanDerWaalsContact C-N 3.27Å; I110-T112 PolarHBondContact O-N 2.89Å |
| 111 | D | 60.5 | Low | 63.3 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 31% | 0.305 | 61% | 0.609 | S | S | . | * | S | Bend | trans | 64.2 | 11.7 | -173.3 | -59 | -21.5 | 0 | 0 | 0 | 118.3 | H101 F113 | H101-D111 IonicContact CD2-OD1 2.7Å; H101-D111 IonicContact CD2-OD2 3.76Å; H101-D111 PolarHBondContact CD2-OD2 3.35Å; H101-D111 IonicContact CE1-OD1 3.29Å; H101-D111 PolarHBondContact CE1-OD1 2.9Å; H101-D111 IonicContact CE1-OD2 2.86Å; H101-D111 IonicContact NE2-OD1 2.76Å; H101-D111 PolarHBondContact NE2-OD1 3.49Å; H101-D111 IonicContact NE2-OD2 3.8Å; H101-D111 PolarHBondContact NE2-OD2 2.88Å; D111-F113 PolarHBondContact O-N 2.94Å |
| 112 | T | 61.9 | Low | 63 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | trans | -59.8 | -25.2 | 178.8 | -24.2 | 0 | 0 | 0 | 0 | 113.1 | S108 I110 | S108-T112 PolarHBondContact O-OG1 3.39Å; I110-T112 VanDerWaalsContact C-N 3.27Å; I110-T112 PolarHBondContact O-N 2.89Å | ||
| 113 | F | 62.6 | Low | 62.9 | Low | 154 Ų | 154 | 109.8 Ų | 109.8 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | trans | -107.1 | 89.8 | -175 | -69.4 | -52.4 | 0 | 0 | 0 | 110 | D111 I117 | D111-F113 PolarHBondContact O-N 2.94Å; F113-I117 HydrophobicContact CB-CD1 3.66Å; F113-I117 HydrophobicContact CD1-CD1 3.43Å; F113-I117 VanDerWaalsContact CD1-CD1 3.43Å; F113-I117 HydrophobicContact CD1-CG1 4.47Å; F113-I117 HydrophobicContact CE1-CD1 4.24Å; F113-I117 HydrophobicContact CG-CD1 3.63Å | ||
| 114 | S | 64.2 | Low | 62.8 | Low | 109 Ų | 109 | 108.3 Ų | 108.3 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | trans | -100.2 | 132.4 | 171.3 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 115 | G | 65.3 | Low | 62.7 | Low | 59 Ų | 59 | 115.1 Ų | 115.1 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 91.1 | 169.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I117 | G115-I117 PolarHBondContact O-N 3.1Š|
| 116 | P | 63.3 | Low | 62.9 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -69.7 | 103.3 | -178.9 | 27.6 | -32.5 | 0 | 0 | 0 | 110.6 | S118 | P116-S118 PolarHBondContact O-N 3.04Š| ||
| 117 | I | 67.4 | Low | 63.3 | Low | 53 Ų | 53 | 118.1 Ų | 118.1 | 27% | 0.272 | 65% | 0.646 | S | S | . | * | trans | -72.8 | 117.6 | 174.2 | -58.6 | 162.7 | 0 | 0 | 0 | 108.6 | F113 G115 Y119 F120 | F113-I117 HydrophobicContact CB-CD1 3.66Å; F113-I117 HydrophobicContact CD1-CD1 3.43Å; F113-I117 VanDerWaalsContact CD1-CD1 3.43Å; F113-I117 HydrophobicContact CD1-CG1 4.47Å; F113-I117 HydrophobicContact CE1-CD1 4.24Å; F113-I117 HydrophobicContact CG-CD1 3.63Å; G115-I117 PolarHBondContact O-N 3.1Å; I117-Y119 HydrophobicContact CG2-CD2 4.22Å; I117-Y119 PolarHBondContact O-N 3.27Å; I117-F120 HydrophobicContact CB-CB 4.32Å; I117-F120 HydrophobicContact CB-CD2 3.74Å; I117-F120 HydrophobicContact CD1-CD2 3.61Å; I117-F120 HydrophobicContact CD1-CE2 3.94Å; I117-F120 HydrophobicContact CG1-CD2 4.3Å; I117-F120 HydrophobicContact CG2-CD2 3.56Å; I117-F120 HydrophobicContact CG2-CE2 4.24Å; I117-F120 PolarHBondContact O-N 3.05Å | ||
| 118 | S | 67.7 | Low | 63.5 | Low | 77 Ų | 77 | 121 Ų | 121 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -51.6 | -33.7 | -177.8 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | P116 | P116-S118 PolarHBondContact O-N 3.04Š|
| 119 | Y | 68 | Low | 64 | Low | 208 Ų | 208 | 128.3 Ų | 128.3 | 82% | 0.816 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -82.8 | -16.2 | -178.4 | -53.3 | -74 | 0 | 0 | 0 | 114.8 | I117 | I117-Y119 HydrophobicContact CG2-CD2 4.22Å; I117-Y119 PolarHBondContact O-N 3.27Å |
| 120 | F | 64.3 | Low | 64.1 | Low | 155 Ų | 155 | 135.7 Ų | 135.7 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -97.6 | 19.3 | 176.1 | -75.1 | -72.5 | 0 | 0 | 0 | 112.8 | I117 | I117-F120 HydrophobicContact CB-CB 4.32Å; I117-F120 HydrophobicContact CB-CD2 3.74Å; I117-F120 HydrophobicContact CD1-CD2 3.61Å; I117-F120 HydrophobicContact CD1-CE2 3.94Å; I117-F120 HydrophobicContact CG1-CD2 4.3Å; I117-F120 HydrophobicContact CG2-CD2 3.56Å; I117-F120 HydrophobicContact CG2-CE2 4.24Å; I117-F120 PolarHBondContact O-N 3.05Å |
| 121 | R | 60.4 | Low | 64.9 | Low | 194 Ų | 194 | 139 Ų | 139 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -60 | 130.6 | 163.6 | -74.3 | -178.3 | 173.1 | -176.5 | -1.1 | 107.4 | L123 | R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.2Å |
| 122 | P | 60.3 | Low | 65.7 | Low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | trans | -57 | 106.6 | 163.1 | 24.9 | -29.3 | 0 | 0 | 0 | 104.3 | T124 | P122-T124 PolarHBondContact O-N 2.9Š| ||
| 123 | L | 62.6 | Low | 66.3 | Low | 154 Ų | 154 | 145.8 Ų | 145.8 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -56.6 | 102.1 | 168.6 | -68.6 | 171.7 | 0 | 0 | 0 | 103.1 | R121 R125 | R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.2Å; L123-R125 PolarHBondContact O-N 3.17Å | ||
| 124 | T | 60.1 | Low | 67 | Low | 126 Ų | 126 | 147.5 Ų | 147.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -58.1 | 91.1 | 161.5 | 35.5 | 0 | 0 | 0 | 0 | 102.7 | P122 L126 | P122-T124 PolarHBondContact O-N 2.9Å; T124-L126 VanDerWaalsContact C-N 3.26Å; T124-L126 PolarHBondContact O-N 3.19Å | ||
| 125 | R | 61.3 | Low | 67.6 | Low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -53.8 | 108.3 | 167.4 | -68.3 | -171.8 | -175.4 | -168.4 | 1.1 | 102.2 | L123 N127 | L123-R125 PolarHBondContact O-N 3.17Å; R125-N127 VanDerWaalsContact C-N 3.34Å; R125-N127 PolarHBondContact O-N 2.64Å | ||
| 126 | L | 65.7 | Low | 68.2 | Low | 151 Ų | 151 | 155.1 Ų | 155.1 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -50.8 | 114.5 | 168.9 | -106.1 | 114.5 | 0 | 0 | 0 | 103.5 | T124 N128 | T124-L126 VanDerWaalsContact C-N 3.26Å; T124-L126 PolarHBondContact O-N 3.19Å; L126-N128 PolarHBondContact O-N 3.41Å | ||
| 127 | N | 63.9 | Low | 68.6 | Low | 156 Ų | 156 | 158.2 Ų | 158.2 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -63.8 | 90.1 | 171.1 | -104 | -20.1 | 0 | 0 | 0 | 103.8 | R125 Q129 | R125-N127 VanDerWaalsContact C-N 3.34Å; R125-N127 PolarHBondContact O-N 2.64Å; N127-Q129 VanDerWaalsContact C-N 3.31Å; N127-Q129 PolarHBondContact O-N 3.3Å | ||
| 128 | N | 68.4 | Low | 68.7 | Low | 136 Ų | 136 | 165.9 Ų | 165.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -55.6 | 107.1 | 169.2 | -72.4 | -8 | 0 | 0 | 0 | 104.2 | L126 R130 | L126-N128 PolarHBondContact O-N 3.41Å; N128-R130 PolarHBondContact O-N 3.13Å | ||
| 129 | Q | 71.9 | Confident | 68.6 | Low | 179 Ų | 179 | 168.2 Ų | 168.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -52.3 | 120.1 | 176.5 | -69.3 | -177.4 | -3.6 | 0 | 0 | 105.6 | N127 I131 | N127-Q129 VanDerWaalsContact C-N 3.31Å; N127-Q129 PolarHBondContact O-N 3.3Å; Q129-I131 VanDerWaalsContact C-N 3.33Å; Q129-I131 PolarHBondContact O-N 3.41Å | ||
| 130 | R | 67.9 | Low | 68.5 | Low | 245 Ų | 245 | 163.5 Ų | 163.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -62.6 | 100.3 | -179.8 | -78.8 | -175 | 172.4 | -175 | -4.4 | 107.4 | N128 S132 | N128-R130 PolarHBondContact O-N 3.13Å; R130-S132 PolarHBondContact O-N 2.97Å; R130-S132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | I | 75 | Confident | 68.7 | Low | 158 Ų | 158 | 161.4 Ų | 161.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 111.5 | 169.7 | -56.2 | 171.8 | 0 | 0 | 0 | 105.4 | Q129 H133 | Q129-I131 VanDerWaalsContact C-N 3.33Å; Q129-I131 PolarHBondContact O-N 3.41Å; I131-H133 PolarHBondContact O-N 2.99Å | ||
| 132 | S | 77.2 | Confident | 68.7 | Low | 95 Ų | 95 | 156.1 Ų | 156.1 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.2 | 174.4 | 102.8 | 0 | 0 | 0 | 0 | 107.3 | R130 K134 | R130-S132 PolarHBondContact O-N 2.97Å; R130-S132 VanDerWaalsContact O-N 3.08Å; S132-K134 PolarHBondContact O-N 3.05Å; S132-K134 VanDerWaalsContact O-N 3.17Å |
| 133 | H | 75.4 | Confident | 68.7 | Low | 175 Ų | 175 | 160.3 Ų | 160.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.8 | 170.8 | 35 | -90.9 | 0 | 0 | 0 | 108.2 | I131 | I131-H133 PolarHBondContact O-N 2.99Š|
| 134 | K | 76.5 | Confident | 68.3 | Low | 190 Ų | 190 | 162.7 Ų | 162.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.8 | 170.7 | -68.2 | -178.9 | 179.7 | 178.6 | 0 | 108 | S132 N136 | S132-K134 PolarHBondContact O-N 3.05Å; S132-K134 VanDerWaalsContact O-N 3.17Å; K134-N136 PolarHBondContact O-N 2.7Å |
| 135 | K | 77.4 | Confident | 67.9 | Low | 190 Ų | 190 | 159.2 Ų | 159.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.1 | 176.6 | -73.7 | -179.3 | 178 | 178.9 | 0 | 109.3 | F137 | K135-F137 PolarHBondContact O-N 2.61Š|
| 136 | N | 77.8 | Confident | 67 | Low | 138 Ų | 138 | 155.1 Ų | 155.1 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137 | 169.1 | -67.3 | -19 | 0 | 0 | 0 | 108.9 | K134 Y138 | K134-N136 PolarHBondContact O-N 2.7Å; N136-Y138 PolarHBondContact O-N 3.27Å; N136-Y138 VanDerWaalsContact O-N 3.13Å |
| 137 | F | 70.3 | Confident | 66.2 | Low | 201 Ų | 201 | 150.9 Ų | 150.9 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -63.5 | 115.1 | 169.5 | -71.6 | -80.8 | 0 | 0 | 0 | 108 | K135 T139 | K135-F137 PolarHBondContact O-N 2.61Å; F137-T139 PolarHBondContact O-N 3.06Å | ||
| 138 | Y | 69.5 | Low | 65.7 | Low | 214 Ų | 214 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -74.4 | 104.1 | 169.5 | -70.6 | -81.7 | 0 | 0 | 0 | 107.8 | N136 | N136-Y138 PolarHBondContact O-N 3.27Å; N136-Y138 VanDerWaalsContact O-N 3.13Å | ||
| 139 | T | 66 | Low | 65.4 | Low | 127 Ų | 127 | 151.6 Ų | 151.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -87.6 | 105 | 158.4 | 51.2 | 0 | 0 | 0 | 0 | 106.1 | F137 P141 | F137-T139 PolarHBondContact O-N 3.06Å; T139-P141 VanDerWaalsContact C-CD 3.45Å; T139-P141 WeakPolarHBondContact O-CD 3.47Å | ||
| 140 | S | 66.4 | Low | 65.1 | Low | 109 Ų | 109 | 148.4 Ų | 148.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -85.9 | 91.4 | 158.9 | 51.8 | 0 | 0 | 0 | 0 | 106 | A142 | S140-A142 PolarHBondContact O-N 3.27Š| ||
| 141 | P | 67.8 | Low | 64.9 | Low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -56.2 | 130.9 | 171.5 | 26 | -33.4 | 0 | 0 | 0 | 107.1 | T139 K143 | T139-P141 VanDerWaalsContact C-CD 3.45Å; T139-P141 WeakPolarHBondContact O-CD 3.47Å; P141-K143 PolarHBondContact O-N 2.92Å; P141-K143 VanDerWaalsContact O-N 3.07Å | ||
| 142 | A | 61.6 | Low | 64.4 | Low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | -54 | 122.8 | 177 | 0 | 0 | 0 | 0 | 0 | 107.8 | S140 K144 | S140-A142 PolarHBondContact O-N 3.27Å; A142-K144 PolarHBondContact O-N 2.94Å | ||
| 143 | K | 59.3 | Low | 64 | Low | 203 Ų | 203 | 141.2 Ų | 141.2 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -68.6 | 74 | -179.3 | -157.5 | -179.2 | -173.4 | -172.2 | 0 | 109.2 | P141 G145 | P141-K143 PolarHBondContact O-N 2.92Å; P141-K143 VanDerWaalsContact O-N 3.07Å; K143-G145 PolarHBondContact O-N 3.44Å | ||
| 144 | K | 55.4 | Low | 64 | Low | 204 Ų | 204 | 141.9 Ų | 141.9 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -89.6 | 77.9 | 166.6 | -69.2 | -165.2 | 178.3 | -173 | 0 | 107.3 | A142 | A142-K144 PolarHBondContact O-N 2.94Š| ||
| 145 | G | 51.3 | Low | 64.2 | Low | 53 Ų | 53 | 135 Ų | 135 | 55% | 0.546 | 74% | 0.742 | S | S | . | * | S | Bend | trans | 169.3 | 106.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K143 | K143-G145 PolarHBondContact O-N 3.44Š|
| 146 | C | 41.6 | Very low | 64.3 | Low | 141 Ų | 141 | 134.8 Ų | 134.8 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | trans | 52.2 | 105.3 | 144.9 | -150.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 147 | G | 50.2 | Low | 64.3 | Low | 62 Ų | 62 | 134.3 Ų | 134.3 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | trans | 162.1 | 87.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 148 | S | 52.6 | Low | 64.7 | Low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | 38.6 | 97.2 | 159.9 | 59.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 149 | Y | 62.1 | Low | 65.3 | Low | 197 Ų | 197 | 125.6 Ų | 125.6 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -70.1 | 136.8 | 164.9 | -61.9 | -79.9 | 0 | 0 | 0 | 110.4 | I152 | Y149-I152 WeakPolarHBondContact O-CD1 3.25Å; Y149-I152 VanDerWaalsContact O-CG1 3.3Å; Y149-I152 WeakPolarHBondContact O-CG1 3.47Å | ||
| 150 | I | 65.8 | Low | 65.9 | Low | 112 Ų | 112 | 128.7 Ų | 128.7 | 57% | 0.574 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -71.4 | 131.7 | 160.5 | -62.6 | 164.4 | 0 | 0 | 0 | 104.9 | Y157 | I150-Y157 HydrophobicContact CG2-CD1 3.64Å; I150-Y157 HydrophobicContact CG2-CD2 3.64Å; I150-Y157 HydrophobicContact CG2-CE1 3.95Å; I150-Y157 HydrophobicContact CG2-CE2 3.95Å; I150-Y157 HydrophobicContact CG2-CG 3.46Å; I150-Y157 VanDerWaalsContact CG2-CG 3.46Å |
| 151 | D | 63 | Low | 66.5 | Low | 114 Ų | 114 | 132.5 Ų | 132.5 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | trans | 91.2 | 35.7 | -169.9 | -59.1 | -26.3 | 0 | 0 | 0 | 118.2 | Y157 | D151-Y157 WeakPolarHBondContact OD1-CB 3.33Š| ||
| 152 | I | 64.7 | Low | 67 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 65% | 0.651 | 71% | 0.708 | S | S | * | * | trans | -86.9 | -14.4 | 172.5 | -60.9 | 166.3 | 0 | 0 | 0 | 112.8 | Y149 | Y149-I152 WeakPolarHBondContact O-CD1 3.25Å; Y149-I152 VanDerWaalsContact O-CG1 3.3Å; Y149-I152 WeakPolarHBondContact O-CG1 3.47Å | ||
| 153 | T | 68.8 | Low | 67.8 | Low | 105 Ų | 105 | 131.2 Ų | 131.2 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -100.6 | 153.8 | -176.4 | 50 | 0 | 0 | 0 | 0 | 112.4 | G155 | T153-G155 PolarHBondContact O-N 3.3Å; T153-G155 PolarHBondContact OG1-O 2.96Å |
| 154 | I | 76.6 | Confident | 68.4 | Low | 190 Ų | 190 | 126 Ų | 126 | 97% | 0.974 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -59.1 | -20.6 | 178.5 | -58.9 | 169.9 | 0 | 0 | 0 | 112.5 | ||
| 155 | G | 79.2 | Confident | 69.2 | Low | 44 Ų | 44 | 126 Ų | 126 | 45% | 0.454 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -92.4 | 142.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T153 Y157 | T153-G155 PolarHBondContact O-N 3.3Å; T153-G155 PolarHBondContact OG1-O 2.96Å; G155-Y157 PolarHBondContact O-N 2.89Å |
| 156 | K | 80 | Confident | 69.7 | Low | 186 Ų | 186 | 128.9 Ų | 128.9 | 81% | 0.809 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 129.2 | 173.7 | -170 | 174.1 | -175.4 | 174.7 | 0 | 110.8 | ||
| 157 | Y | 77.5 | Confident | 70.7 | Confident | 128 Ų | 128 | 130 Ų | 130 | 50% | 0.502 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 131.9 | 177 | -161.7 | -97.6 | 0 | 0 | 0 | 110.6 | I150 D151 G155 N159 | I150-Y157 HydrophobicContact CG2-CD1 3.64Å; I150-Y157 HydrophobicContact CG2-CD2 3.64Å; I150-Y157 HydrophobicContact CG2-CE1 3.95Å; I150-Y157 HydrophobicContact CG2-CE2 3.95Å; I150-Y157 HydrophobicContact CG2-CG 3.46Å; I150-Y157 VanDerWaalsContact CG2-CG 3.46Å; D151-Y157 WeakPolarHBondContact OD1-CB 3.33Å; G155-Y157 PolarHBondContact O-N 2.89Å; Y157-N159 PolarHBondContact O-N 3.49Å |
| 158 | P | 78.4 | Confident | 71.3 | Confident | 100 Ų | 100 | 134.3 Ų | 134.3 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131.8 | -179 | 23.4 | -31.2 | 0 | 0 | 0 | 110.7 | Y160 | P158-Y160 PolarHBondContact O-N 3.27Š|
| 159 | N | 82.1 | Confident | 71.7 | Confident | 133 Ų | 133 | 138.9 Ų | 138.9 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129.2 | 175.5 | -69.1 | -20.7 | 0 | 0 | 0 | 109.8 | Y157 K161 | Y157-N159 PolarHBondContact O-N 3.49Å; N159-K161 PolarHBondContact O-N 3.26Å |
| 160 | Y | 80.2 | Confident | 71.6 | Confident | 192 Ų | 192 | 138.7 Ų | 138.7 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 122.7 | 172.7 | 176.6 | -99.9 | 0 | 0 | 0 | 110.4 | P158 | P158-Y160 PolarHBondContact O-N 3.27Š|
| 161 | K | 79.1 | Confident | 71.2 | Confident | 189 Ų | 189 | 138.6 Ų | 138.6 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -112.3 | 117.9 | 168 | -70.3 | -174.7 | 178.2 | -179.4 | 0 | 107.2 | N159 D163 | N159-K161 PolarHBondContact O-N 3.26Å; K161-D163 PolarHBondContact O-N 2.69Å | ||
| 162 | S | 78.4 | Confident | 70.9 | Confident | 84 Ų | 84 | 135.9 Ų | 135.9 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | trans | -59.5 | 131.4 | 173.2 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 163 | D | 77.4 | Confident | 70.6 | Confident | 81 Ų | 81 | 136.8 Ų | 136.8 | 43% | 0.433 | 69% | 0.689 | S | S | . | * | trans | -62.9 | 133 | 175.6 | -166.3 | -34.9 | 0 | 0 | 0 | 109.9 | K161 Y165 D166 | K161-D163 PolarHBondContact O-N 2.69Å; D163-Y165 PolarHBondContact O-N 2.96Å; D163-Y165 WeakPolarHBondContact OD1-CD2 3.32Å; D163-Y165 PolarHBondContact OD1-N 3.08Å; D163-D166 HydrophobicContact CB-CB 4.36Å; D163-D166 PolarHBondContact O-N 3.29Å | ||
| 164 | P | 72.6 | Confident | 69.9 | Low | 93 Ų | 93 | 140.9 Ų | 140.9 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -19.8 | 172.1 | 20.1 | -33.2 | 0 | 0 | 0 | 114.7 | ||
| 165 | Y | 70.5 | Confident | 68.7 | Low | 205 Ų | 205 | 139.7 Ų | 139.7 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -15 | 176.4 | -62.3 | -72.6 | 0 | 0 | 0 | 114.5 | D163 K167 | D163-Y165 PolarHBondContact O-N 2.96Å; D163-Y165 WeakPolarHBondContact OD1-CD2 3.32Å; D163-Y165 PolarHBondContact OD1-N 3.08Å; Y165-K167 PolarHBondContact O-N 3.49Å |
| 166 | D | 63.8 | Low | 67.4 | Low | 113 Ų | 113 | 141.7 Ų | 141.7 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | trans | -78.9 | 29.3 | 175.1 | -87 | -19.5 | 0 | 0 | 0 | 113.1 | D163 N168 | D163-D166 HydrophobicContact CB-CB 4.36Å; D163-D166 PolarHBondContact O-N 3.29Å; D166-N168 PolarHBondContact O-N 3.14Å | ||
| 167 | K | 61.2 | Low | 66 | Low | 166 Ų | 166 | 137 Ų | 137 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -78.1 | 91.3 | 168.3 | -67.4 | 179 | -170.9 | 174.7 | 0 | 107.9 | Y165 K169 | Y165-K167 PolarHBondContact O-N 3.49Å; K167-K169 PolarHBondContact O-N 2.92Å | ||
| 168 | N | 63 | Low | 64.7 | Low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | trans | -42.6 | 115.7 | 159.3 | -78.1 | -33.9 | 0 | 0 | 0 | 108 | D166 K170 | D166-N168 PolarHBondContact O-N 3.14Å; N168-K170 PolarHBondContact O-N 3.08Å | ||
| 169 | K | 61.7 | Low | 63.2 | Low | 206 Ų | 206 | 133.9 Ų | 133.9 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | trans | -53.4 | 101.5 | 177.9 | -78.8 | -179 | 178 | 175.6 | 0 | 107.4 | K167 P171 | K167-K169 PolarHBondContact O-N 2.92Å; K169-P171 WeakPolarHBondContact O-CD 3.13Å; K169-P171 VanDerWaalsContact O-N 3.14Å | ||
| 170 | K | 59.5 | Low | 61.9 | Low | 194 Ų | 194 | 131.8 Ų | 131.8 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.7 | 173.2 | -71.1 | -175.6 | 179.8 | 178.8 | 0 | 105.9 | N168 S172 | N168-K170 PolarHBondContact O-N 3.08Å; K170-S172 PolarHBondContact O-N 3.04Å |
| 171 | P | 57.6 | Low | 60.7 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.7 | 175.4 | 23.9 | -32 | 0 | 0 | 0 | 107.3 | K169 I173 | K169-P171 WeakPolarHBondContact O-CD 3.13Å; K169-P171 VanDerWaalsContact O-N 3.14Å; P171-I173 PolarHBondContact O-N 3.07Å; P171-I173 VanDerWaalsContact O-N 3.1Å |
| 172 | S | 56.1 | Low | 60.1 | Low | 56 Ų | 56 | 128.9 Ų | 128.9 | 39% | 0.392 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 123.2 | -176 | 83.2 | 0 | 0 | 0 | 0 | 108.4 | K170 K174 E175 | K170-S172 PolarHBondContact O-N 3.04Å; S172-K174 PolarHBondContact O-N 2.96Å; S172-E175 PolarHBondContact O-N 3Å |
| 173 | I | 58.5 | Low | 59.2 | Low | 147 Ų | 147 | 133.6 Ų | 133.6 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -13.1 | -178.9 | -67.3 | 167.3 | 0 | 0 | 0 | 111.2 | P171 S176 | P171-I173 PolarHBondContact O-N 3.07Å; P171-I173 VanDerWaalsContact O-N 3.1Å; I173-S176 PolarHBondContact O-OG 3.35Å |
| 174 | K | 54.6 | Low | 58.6 | Low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -13.8 | 177.2 | -68.9 | -174.4 | 176.8 | -179.3 | 0 | 114.9 | S172 S177 | S172-K174 PolarHBondContact O-N 2.96Å; K174-S177 PolarHBondContact O-OG 3.21Å |
| 175 | E | 52.2 | Low | 58.3 | Low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -19.2 | 172.1 | -74.7 | 177 | 168.3 | 0 | 0 | 112.9 | S172 | S172-E175 PolarHBondContact O-N 3Š|
| 176 | S | 50.5 | Low | 58.1 | Low | 85 Ų | 85 | 134.4 Ų | 134.4 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -88 | 2.7 | 177.4 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | I173 | I173-S176 PolarHBondContact O-OG 3.35Š|
| 177 | S | 50.9 | Low | 58.1 | Low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -96.8 | 10.3 | -172.3 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | K174 A179 | K174-S177 PolarHBondContact O-OG 3.21Å; S177-A179 VanDerWaalsContact C-N 3.3Å; S177-A179 PolarHBondContact O-N 3.06Å; S177-A179 VanDerWaalsContact O-N 3.09Å | ||
| 178 | S | 49.6 | Very low | 58 | Low | 77 Ų | 77 | 134.3 Ų | 134.3 | 54% | 0.538 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -82.9 | 76.6 | 164 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | G180 | S178-G180 PolarHBondContact O-N 2.91Š|
| 179 | A | 47.5 | Very low | 58 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.7 | 70.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S177 K181 | S177-A179 VanDerWaalsContact C-N 3.3Å; S177-A179 PolarHBondContact O-N 3.06Å; S177-A179 VanDerWaalsContact O-N 3.09Å; A179-K181 PolarHBondContact O-N 3.41Å |
| 180 | G | 54.3 | Low | 58.2 | Low | 88 Ų | 88 | 126.2 Ų | 126.2 | 91% | 0.907 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.6 | 10.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | S178 | S178-G180 PolarHBondContact O-N 2.91Š|
| 181 | K | 56.3 | Low | 58.4 | Low | 147 Ų | 147 | 124.3 Ų | 124.3 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | trans | -113.9 | 111.2 | -179.5 | -79.8 | 175.4 | -178.1 | 165.6 | 0 | 108.8 | A179 F183 | A179-K181 PolarHBondContact O-N 3.41Å; K181-F183 PolarHBondContact O-N 3.24Å | ||
| 182 | K | 65.3 | Low | 58.8 | Low | 173 Ų | 173 | 128.2 Ų | 128.2 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | -53 | 114.5 | 163.5 | -67.2 | 179.6 | 178.8 | -177.3 | 0 | 107.6 | Y184 | K182-Y184 HydrophobicContact CB-CE2 4.31Å; K182-Y184 WeakPolarHBondContact O-CD2 3.39Å; K182-Y184 PolarHBondContact O-N 3.45Å | ||
| 183 | F | 60.8 | Low | 59 | Low | 184 Ų | 184 | 134.9 Ų | 134.9 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.7 | 169.5 | -75 | -87.6 | 0 | 0 | 0 | 107.8 | K181 | K181-F183 PolarHBondContact O-N 3.24Š|
| 184 | Y | 64.3 | Low | 59.3 | Low | 134 Ų | 134 | 134 Ų | 134 | 53% | 0.525 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -95.7 | 120.7 | 168.3 | -66.5 | -82.4 | 0 | 0 | 0 | 107.6 | K182 N186 V201 | K182-Y184 HydrophobicContact CB-CE2 4.31Å; K182-Y184 WeakPolarHBondContact O-CD2 3.39Å; K182-Y184 PolarHBondContact O-N 3.45Å; Y184-N186 PolarHBondContact O-N 3.02Å; Y184-V201 HydrophobicContact CD1-CG1 3.96Å; Y184-V201 HydrophobicContact CE1-CG1 3.53Å |
| 185 | L | 65.5 | Low | 59.9 | Low | 147 Ų | 147 | 131.3 Ų | 131.3 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 116.3 | 173.2 | -161.1 | 88.2 | 0 | 0 | 0 | 108.3 | ||
| 186 | N | 67.5 | Low | 60.9 | Low | 115 Ų | 115 | 127.7 Ų | 127.7 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -105.6 | 22.8 | -179.3 | -165 | 39 | 0 | 0 | 0 | 112.4 | Y184 | Y184-N186 PolarHBondContact O-N 3.02Š| ||
| 187 | M | 63.6 | Low | 61.9 | Low | 137 Ų | 137 | 129 Ų | 129 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 136.8 | 178.9 | -65.4 | -63.8 | -72.4 | 0 | 0 | 110.2 | ||
| 188 | H | 57.7 | Low | 63 | Low | 139 Ų | 139 | 134.8 Ų | 134.8 | 64% | 0.644 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -86.9 | 149.1 | 164.9 | -102.3 | -91 | 0 | 0 | 0 | 109.6 | ||
| 189 | P | 64.2 | Low | 63.8 | Low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | cis | -82.6 | 130.5 | 7 | 30.4 | -31.9 | 0 | 0 | 0 | 113.3 | ||
| 190 | Q | 65.1 | Low | 64.9 | Low | 75 Ų | 75 | 140.4 Ų | 140.4 | 35% | 0.35 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 141.6 | 162.5 | -79.3 | -177.5 | -19.3 | 0 | 0 | 108.9 | Y192 | Q190-Y192 PolarHBondContact O-N 3.27Å; Q190-Y192 VanDerWaalsContact O-N 3.08Å |
| 191 | Q | 65.2 | Low | 65.6 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 117 | 172.2 | -77 | 172 | -41 | 0 | 0 | 109.1 | F193 | Q191-F193 VanDerWaalsContact C-N 3.27Å; Q191-F193 PolarHBondContact O-N 3.48Å |
| 192 | Y | 64.2 | Low | 66 | Low | 192 Ų | 192 | 142.8 Ų | 142.8 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -68.7 | -22.1 | -173.6 | -91.1 | -93.6 | 0 | 0 | 0 | 113.5 | Q190 | Q190-Y192 PolarHBondContact O-N 3.27Å; Q190-Y192 VanDerWaalsContact O-N 3.08Å |
| 193 | F | 61.6 | Low | 66 | Low | 196 Ų | 196 | 138.5 Ų | 138.5 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -113.2 | -10.7 | -162.6 | -67.1 | -76.4 | 0 | 0 | 0 | 116.6 | Q191 | Q191-F193 VanDerWaalsContact C-N 3.27Å; Q191-F193 PolarHBondContact O-N 3.48Å |
| 194 | D | 64.9 | Low | 66 | Low | 129 Ų | 129 | 139.3 Ų | 139.3 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | trans | -111.8 | 8.6 | -176.3 | -68.2 | -37.2 | 0 | 0 | 0 | 114.4 | N196 | D194-N196 PolarHBondContact O-N 2.82Å; D194-N196 VanDerWaalsContact O-N 3.09Å | ||
| 195 | K | 66.6 | Low | 65.7 | Low | 135 Ų | 135 | 142.8 Ų | 142.8 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | trans | -78.4 | 104.1 | -179.1 | -145.1 | 174 | -174.1 | 179.2 | 0 | 108.8 | P197 | K195-P197 VanDerWaalsContact O-CD 3.23Å; K195-P197 WeakPolarHBondContact O-CD 3.27Å | ||
| 196 | N | 73.3 | Confident | 65.4 | Low | 89 Ų | 89 | 145.7 Ų | 145.7 | 48% | 0.476 | 67% | 0.67 | S | S | . | * | trans | -51.4 | 111.8 | 172.9 | -179.3 | -14.8 | 0 | 0 | 0 | 109.1 | D194 Y198 H199 | D194-N196 PolarHBondContact O-N 2.82Å; D194-N196 VanDerWaalsContact O-N 3.09Å; N196-Y198 PolarHBondContact O-N 3.12Å; N196-Y198 VanDerWaalsContact O-N 3.11Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.48Å; N196-Y198 WeakPolarHBondContact OD1-CD2 3.37Å; N196-Y198 PolarHBondContact OD1-N 3.24Å; N196-H199 HydrophobicContact CB-CB 4.18Å; N196-H199 PolarHBondContact O-N 3.04Å | ||
| 197 | P | 70.6 | Confident | 64.9 | Low | 111 Ų | 111 | 144.9 Ų | 144.9 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -17 | -172.6 | 26.2 | -34 | 0 | 0 | 0 | 112.6 | K195 | K195-P197 VanDerWaalsContact O-CD 3.23Å; K195-P197 WeakPolarHBondContact O-CD 3.27Å |
| 198 | Y | 74.6 | Confident | 64.4 | Low | 212 Ų | 212 | 147.7 Ų | 147.7 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7 | 177.8 | -54.9 | -70.9 | 0 | 0 | 0 | 113.5 | N196 | N196-Y198 PolarHBondContact O-N 3.12Å; N196-Y198 VanDerWaalsContact O-N 3.11Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.48Å; N196-Y198 WeakPolarHBondContact OD1-CD2 3.37Å; N196-Y198 PolarHBondContact OD1-N 3.24Å |
| 199 | H | 66.7 | Low | 64.1 | Low | 134 Ų | 134 | 146.9 Ų | 146.9 | 62% | 0.62 | 69% | 0.685 | S | S | * | * | trans | -113.5 | 88 | -174.2 | -141.1 | -63.4 | 0 | 0 | 0 | 112.1 | N196 V201 | N196-H199 HydrophobicContact CB-CB 4.18Å; N196-H199 PolarHBondContact O-N 3.04Å; H199-V201 PolarHBondContact O-N 3.26Å; H199-V201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | E | 70.1 | Confident | 63.6 | Low | 146 Ų | 146 | 143.5 Ų | 143.5 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -70.9 | 103.9 | 170.4 | -71.2 | -174.9 | 176 | 0 | 0 | 110.9 | R202 | E200-R202 PolarHBondContact O-N 2.72Å; E200-R202 IonicContact OE2-NE 3.73Å; E200-R202 IonicContact OE2-NH2 2.68Å | ||
| 201 | V | 69.5 | Low | 63.2 | Low | 81 Ų | 81 | 145.4 Ų | 145.4 | 49% | 0.491 | 69% | 0.687 | S | S | . | * | trans | -74.6 | 93.4 | 167.9 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | Y184 H199 I203 | Y184-V201 HydrophobicContact CD1-CG1 3.96Å; Y184-V201 HydrophobicContact CE1-CG1 3.53Å; H199-V201 PolarHBondContact O-N 3.26Å; H199-V201 VanDerWaalsContact O-N 3.13Å; V201-I203 HydrophobicContact CG1-CG1 4.49Å; V201-I203 PolarHBondContact O-N 2.89Å | ||
| 202 | R | 64.9 | Low | 62.7 | Low | 203 Ų | 203 | 145.3 Ų | 145.3 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | trans | -71.4 | 96 | 172.1 | -68.1 | -174.6 | -179.5 | -171.1 | -0.8 | 110 | E200 K204 | E200-R202 PolarHBondContact O-N 2.72Å; E200-R202 IonicContact OE2-NE 3.73Å; E200-R202 IonicContact OE2-NH2 2.68Å; R202-K204 PolarHBondContact O-N 3.32Å | ||
| 203 | I | 65.5 | Low | 62.4 | Low | 83 Ų | 83 | 146.5 Ų | 146.5 | 43% | 0.426 | 69% | 0.693 | S | S | . | * | trans | -66.2 | 105.1 | 167.8 | -58.9 | 166.8 | 0 | 0 | 0 | 106.7 | V201 R205 | V201-I203 HydrophobicContact CG1-CG1 4.49Å; V201-I203 PolarHBondContact O-N 2.89Å; I203-R205 PolarHBondContact O-N 2.68Å | ||
| 204 | K | 60.7 | Low | 62.3 | Low | 201 Ų | 201 | 143.5 Ų | 143.5 | 87% | 0.874 | 69% | 0.686 | S | S | * | * | trans | -64.3 | 87 | 170.9 | -70.7 | -172.8 | -179.1 | -178 | 0 | 108.3 | R202 R206 | R202-K204 PolarHBondContact O-N 3.32Å; K204-R206 PolarHBondContact O-N 3.48Å | ||
| 205 | R | 57.7 | Low | 61.9 | Low | 207 Ų | 207 | 141.9 Ų | 141.9 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.8 | 162 | -74.6 | -175.5 | 151 | 161.1 | -4.5 | 106.3 | I203 | I203-R205 PolarHBondContact O-N 2.68Š|
| 206 | R | 59.2 | Low | 61.6 | Low | 208 Ų | 208 | 141.8 Ų | 141.8 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134 | 168.7 | -76.1 | -178 | 173.1 | -174.3 | -5.4 | 106.8 | K204 F208 | K204-R206 PolarHBondContact O-N 3.48Å; R206-F208 PolarHBondContact O-N 2.85Å |
| 207 | P | 57.7 | Low | 61 | Low | 98 Ų | 98 | 144.9 Ų | 144.9 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 141.9 | 169.1 | 23.9 | -31.3 | 0 | 0 | 0 | 107.4 | T209 | P207-T209 HydrophobicContact CB-CG2 4.29Å; P207-T209 HydrophobicContact CG-CG2 4.22Å; P207-T209 PolarHBondContact O-N 3.16Å |
| 208 | F | 51.9 | Low | 60.6 | Low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -68.6 | 70.5 | 175.4 | -165.9 | -92.2 | 0 | 0 | 0 | 108.3 | R206 G210 | R206-F208 PolarHBondContact O-N 2.85Å; F208-G210 PolarHBondContact O-N 3.34Å | ||
| 209 | T | 52.5 | Low | 59.9 | Low | 122 Ų | 122 | 144.7 Ų | 144.7 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -88.5 | 54.1 | 167.2 | 54.7 | 0 | 0 | 0 | 0 | 107.4 | P207 | P207-T209 HydrophobicContact CB-CG2 4.29Å; P207-T209 HydrophobicContact CG-CG2 4.22Å; P207-T209 PolarHBondContact O-N 3.16Å | ||
| 210 | G | 52.9 | Low | 59.5 | Low | 40 Ų | 40 | 142.5 Ų | 142.5 | 41% | 0.412 | 71% | 0.707 | S | S | . | * | trans | -85.9 | 104.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | F208 I212 | F208-G210 PolarHBondContact O-N 3.34Å; G210-I212 PolarHBondContact O-N 3.47Å; G210-I212 VanDerWaalsContact O-N 3.08Å | ||
| 211 | T | 57.4 | Low | 59.4 | Low | 116 Ų | 116 | 141.4 Ų | 141.4 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | -49.8 | 121.1 | 154.4 | 40.1 | 0 | 0 | 0 | 0 | 105.9 | R213 | T211-R213 PolarHBondContact O-N 3.49Š| ||
| 212 | I | 54.3 | Low | 59.6 | Low | 151 Ų | 151 | 146.8 Ų | 146.8 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | -63.7 | 88.1 | 172.7 | -62 | 167.8 | 0 | 0 | 0 | 104.9 | G210 N214 | G210-I212 PolarHBondContact O-N 3.47Å; G210-I212 VanDerWaalsContact O-N 3.08Å; I212-N214 PolarHBondContact O-N 3.44Å; I212-N214 VanDerWaalsContact O-N 3.12Å | ||
| 213 | R | 57.9 | Low | 59.8 | Low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | trans | -68.9 | 107.6 | 165.1 | -69.5 | -174.2 | 178.7 | -164.1 | -1.7 | 104 | T211 | T211-R213 PolarHBondContact O-N 3.49Š| ||
| 214 | N | 58.7 | Low | 60.3 | Low | 133 Ų | 133 | 146.2 Ų | 146.2 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -43.3 | 129.8 | 168.5 | -67.5 | -32.1 | 0 | 0 | 0 | 107.6 | I212 T216 | I212-N214 PolarHBondContact O-N 3.44Å; I212-N214 VanDerWaalsContact O-N 3.12Å; N214-T216 PolarHBondContact O-N 3.16Å | ||
| 215 | P | 57.8 | Low | 61.2 | Low | 95 Ų | 95 | 143.2 Ų | 143.2 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | trans | -60.3 | 105.3 | -178.8 | 23.9 | -31.8 | 0 | 0 | 0 | 108 | H217 | P215-H217 PolarHBondContact O-N 3.08Š| ||
| 216 | T | 60.3 | Low | 62.1 | Low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -68.1 | 89.3 | 159.2 | 46 | 0 | 0 | 0 | 0 | 104.9 | N214 P218 | N214-T216 PolarHBondContact O-N 3.16Å; T216-P218 WeakPolarHBondContact O-CD 3.49Å | ||
| 217 | H | 60 | Low | 63 | Low | 155 Ų | 155 | 132 Ų | 132 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | -56.6 | 113.2 | 166 | -67.6 | -72 | 0 | 0 | 0 | 106.1 | P215 K219 | P215-H217 PolarHBondContact O-N 3.08Å; H217-K219 PolarHBondContact O-N 2.71Å | ||
| 218 | P | 61.5 | Low | 63.8 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | trans | -56.6 | 137.5 | 163.6 | 26.8 | -31.2 | 0 | 0 | 0 | 105.3 | T216 S220 | T216-P218 WeakPolarHBondContact O-CD 3.49Å; P218-S220 PolarHBondContact O-N 3.11Å | ||
| 219 | K | 60.4 | Low | 64.8 | Low | 212 Ų | 212 | 129.5 Ų | 129.5 | 92% | 0.922 | 73% | 0.726 | S | S | * | * | trans | -64 | 67.9 | 165.8 | -69.3 | 178.2 | -179.7 | 176.4 | 0 | 107.6 | H217 V221 | H217-K219 PolarHBondContact O-N 2.71Å; K219-V221 PolarHBondContact O-N 2.61Å | ||
| 220 | S | 58 | Low | 65.7 | Low | 88 Ų | 88 | 130.9 Ų | 130.9 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | trans | -79.2 | 100.8 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 106.2 | P218 F222 | P218-S220 PolarHBondContact O-N 3.11Å; S220-F222 PolarHBondContact O-N 3.3Å | ||
| 221 | V | 69.4 | Low | 66.5 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -49.8 | 136.6 | 161.9 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | K219 K223 | K219-V221 PolarHBondContact O-N 2.61Å; V221-K223 PolarHBondContact O-N 3.32Å | ||
| 222 | F | 72 | Confident | 67.2 | Low | 194 Ų | 194 | 136 Ų | 136 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -51.8 | 104.6 | -179.9 | -159.2 | -91.3 | 0 | 0 | 0 | 109.2 | S220 P224 | S220-F222 PolarHBondContact O-N 3.3Å; F222-P224 WeakPolarHBondContact O-CD 3.45Å | ||
| 223 | K | 70.1 | Confident | 67.9 | Low | 183 Ų | 183 | 130.5 Ų | 130.5 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -86.9 | 115.2 | 170.9 | -76.8 | -173.3 | 176.3 | -175.7 | 0 | 107 | V221 | V221-K223 PolarHBondContact O-N 3.32Š| ||
| 224 | P | 76.7 | Confident | 68.5 | Low | 91 Ų | 91 | 124.5 Ų | 124.5 | 59% | 0.591 | 73% | 0.728 | S | S | * | * | trans | -59.1 | 150.6 | 174.5 | 25.4 | -32.8 | 0 | 0 | 0 | 110.1 | F222 S226 | F222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-S226 PolarHBondContact O-N 2.69Å | ||
| 225 | S | 79.7 | Confident | 68.9 | Low | 138 Ų | 138 | 125.3 Ų | 125.3 | 97% | 0.965 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -67.7 | -13.1 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 226 | S | 76.7 | Confident | 69.1 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -121.9 | 149 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112 | P224 | P224-S226 PolarHBondContact O-N 2.69Š|
| 227 | A | 77.5 | Confident | 69.1 | Low | 94 Ų | 94 | 124 Ų | 124 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 150.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 228 | S | 73.7 | Confident | 69 | Low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.4 | 174.5 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | L230 | S228-L230 PolarHBondContact O-N 2.86Š|
| 229 | K | 73.5 | Confident | 68.9 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 136.1 | 172.7 | -67.4 | -171.3 | 174.9 | -167.5 | 0 | 109.5 | C234 | K229-C234 PolarHBondContact NZ-O 3.03Å; K229-C234 VanDerWaalsContact NZ-O 3.12Å |
| 230 | L | 72.5 | Confident | 69.2 | Low | 150 Ų | 150 | 121 Ų | 121 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 142.8 | 174.7 | -70.5 | 164.3 | 0 | 0 | 0 | 110.5 | S228 G232 G233 | S228-L230 PolarHBondContact O-N 2.86Å; L230-G232 PolarHBondContact O-N 3.06Å; L230-G233 PolarHBondContact O-N 3.19Å |
| 231 | M | 68.1 | Low | 69.7 | Low | 181 Ų | 181 | 122.7 Ų | 122.7 | 89% | 0.892 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 120.7 | 168.8 | -78.9 | -65.9 | -67 | 0 | 0 | 108.6 | ||
| 232 | G | 72.2 | Confident | 69.6 | Low | 84 Ų | 84 | 123.7 Ų | 123.7 | 87% | 0.866 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98 | -5.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L230 | L230-G232 PolarHBondContact O-N 3.06Š|
| 233 | G | 69.2 | Low | 69.6 | Low | 34 Ų | 34 | 119 Ų | 119 | 35% | 0.351 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -78.3 | 154.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L230 K235 | L230-G233 PolarHBondContact O-N 3.19Å; G233-K235 PolarHBondContact O-N 3.4Å; G233-K235 VanDerWaalsContact O-N 3.09Å |
| 234 | C | 70 | Confident | 69.8 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | trans | -55 | 114.1 | 177.7 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | K229 D236 | K229-C234 PolarHBondContact NZ-O 3.03Å; K229-C234 VanDerWaalsContact NZ-O 3.12Å; C234-D236 VanDerWaalsContact C-N 3.33Å | ||
| 235 | K | 67.2 | Low | 69.4 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | trans | -88.9 | -1.4 | 176.7 | -64.3 | -153.9 | -176.7 | -176 | 0 | 112.9 | G233 G237 | G233-K235 PolarHBondContact O-N 3.4Å; G233-K235 VanDerWaalsContact O-N 3.09Å; K235-G237 PolarHBondContact O-N 3.2Å | ||
| 236 | D | 63.3 | Low | 69 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -62.2 | 122.6 | 174.1 | -66.4 | -28.1 | 0 | 0 | 0 | 109.6 | C234 | C234-D236 VanDerWaalsContact C-N 3.33Š| ||
| 237 | G | 60.1 | Low | 68.6 | Low | 55 Ų | 55 | 123.4 Ų | 123.4 | 57% | 0.567 | 72% | 0.717 | S | S | * | * | trans | 162.8 | -10.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K235 | K235-G237 PolarHBondContact O-N 3.2Š| ||
| 238 | C | 56.8 | Low | 68.2 | Low | 111 Ų | 111 | 125 Ų | 125 | 75% | 0.75 | 71% | 0.712 | S | S | * | * | trans | -106.4 | 107.8 | 165.9 | -67.7 | 0 | 0 | 0 | 0 | 108.3 | S240 | C238-S240 PolarHBondContact O-N 3.21Š| ||
| 239 | F | 59.8 | Low | 67.5 | Low | 215 Ų | 215 | 128.5 Ų | 128.5 | 94% | 0.943 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -67.2 | 25.7 | -180 | -73.5 | -80.3 | 0 | 0 | 0 | 114.9 | ||
| 240 | S | 66.2 | Low | 66.8 | Low | 83 Ų | 83 | 128.2 Ų | 128.2 | 58% | 0.58 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -159.7 | 132.8 | 173.5 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | C238 F242 | C238-S240 PolarHBondContact O-N 3.21Å; S240-F242 PolarHBondContact O-N 2.69Å |
| 241 | P | 69.9 | Low | 66.2 | Low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 141.1 | 169.9 | 22.4 | -30.4 | 0 | 0 | 0 | 109.6 | ||
| 242 | F | 65.9 | Low | 65.5 | Low | 146 Ų | 146 | 135.5 Ų | 135.5 | 64% | 0.64 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 131.6 | 176.1 | -172.1 | -86.7 | 0 | 0 | 0 | 109.1 | S240 H244 Y245 | S240-F242 PolarHBondContact O-N 2.69Å; F242-H244 PolarHBondContact O-N 3.49Å; F242-Y245 HydrophobicContact CD1-CE2 4.29Å; F242-Y245 AromaticContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CE1 4.35Å; F242-Y245 AromaticContact CE1-CE2 3.31Å; F242-Y245 HydrophobicContact CE1-CE2 3.31Å; F242-Y245 AromaticContact CE1-CZ 3.53Å; F242-Y245 AromaticContact CZ-CE2 3.9Å; F242-Y245 HydrophobicContact CZ-CE2 3.9Å; F242-Y245 AromaticContact CZ-CZ 3.68Å; F242-Y245 WeakPolarHBondContact CZ-OH 3.46Å |
| 243 | P | 73 | Confident | 64.9 | Low | 96 Ų | 96 | 137.3 Ų | 137.3 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 135.4 | -176.8 | 22.5 | -31.5 | 0 | 0 | 0 | 110.9 | Y245 | P243-Y245 PolarHBondContact O-N 3.08Š|
| 244 | H | 73.6 | Confident | 64.2 | Low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126.1 | 177.8 | -136.5 | 73.5 | 0 | 0 | 0 | 109.6 | F242 S246 | F242-H244 PolarHBondContact O-N 3.49Å; H244-S246 PolarHBondContact O-N 3.36Å |
| 245 | Y | 68.3 | Low | 63.5 | Low | 199 Ų | 199 | 144.4 Ų | 144.4 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | -67.2 | 104 | 174 | -74.3 | -76.6 | 0 | 0 | 0 | 109.1 | F242 P243 | F242-Y245 HydrophobicContact CD1-CE2 4.29Å; F242-Y245 AromaticContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CE1 4.35Å; F242-Y245 AromaticContact CE1-CE2 3.31Å; F242-Y245 HydrophobicContact CE1-CE2 3.31Å; F242-Y245 AromaticContact CE1-CZ 3.53Å; F242-Y245 AromaticContact CZ-CE2 3.9Å; F242-Y245 HydrophobicContact CZ-CE2 3.9Å; F242-Y245 AromaticContact CZ-CZ 3.68Å; F242-Y245 WeakPolarHBondContact CZ-OH 3.46Å; P243-Y245 PolarHBondContact O-N 3.08Å | ||
| 246 | S | 71.1 | Confident | 62.9 | Low | 78 Ų | 78 | 141.7 Ų | 141.7 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | trans | -91.2 | 137 | 161.8 | 170.6 | 0 | 0 | 0 | 0 | 109 | H244 D248 | H244-S246 PolarHBondContact O-N 3.36Å; S246-D248 PolarHBondContact O-N 3.32Å; S246-D248 WeakPolarHBondContact OG-CB 3.49Å; S246-D248 VanDerWaalsContact OG-CG 3.26Å; S246-D248 PolarHBondContact OG-N 3.07Å; S246-D248 PolarHBondContact OG-OD2 3.29Å | ||
| 247 | S | 69.8 | Low | 62.3 | Low | 124 Ų | 124 | 143 Ų | 143 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -70.7 | 1.4 | 174 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | K249 | S247-K249 PolarHBondContact O-N 3.4Š| ||
| 248 | D | 67.4 | Low | 62 | Low | 127 Ų | 127 | 149.9 Ų | 149.9 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -68.1 | 129.1 | -178.8 | -67.5 | -36.4 | 0 | 0 | 0 | 111.3 | S246 | S246-D248 PolarHBondContact O-N 3.32Å; S246-D248 WeakPolarHBondContact OG-CB 3.49Å; S246-D248 VanDerWaalsContact OG-CG 3.26Å; S246-D248 PolarHBondContact OG-N 3.07Å; S246-D248 PolarHBondContact OG-OD2 3.29Å |
| 249 | K | 60.9 | Low | 62 | Low | 190 Ų | 190 | 149.8 Ų | 149.8 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 129.8 | 176.1 | -64.8 | 175.2 | -176.9 | 172.4 | 0 | 108.6 | S247 R251 | S247-K249 PolarHBondContact O-N 3.4Å; K249-R251 PolarHBondContact O-N 2.91Å |
| 250 | P | 58.3 | Low | 61.9 | Low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 118.2 | -177.5 | 21.2 | -31.6 | 0 | 0 | 0 | 108.5 | R252 | P250-R252 PolarHBondContact O-N 3.36Å; P250-R252 VanDerWaalsContact O-N 3.08Å |
| 251 | R | 58.9 | Low | 61.7 | Low | 234 Ų | 234 | 149.6 Ų | 149.6 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 123 | 167.3 | -80.7 | -176.5 | 173.8 | -178.4 | -1.3 | 105.6 | K249 T253 | K249-R251 PolarHBondContact O-N 2.91Å; R251-T253 VanDerWaalsContact C-N 3.27Å; R251-T253 PolarHBondContact O-N 2.99Å |
| 252 | R | 54.6 | Low | 61.2 | Low | 250 Ų | 250 | 148.4 Ų | 148.4 | 94% | 0.943 | 75% | 0.745 | S | S | * | * | trans | -51.3 | 96.4 | 174 | -84.7 | 177.7 | 147.6 | 127.3 | -5.1 | 107.8 | P250 V254 | P250-R252 PolarHBondContact O-N 3.36Å; P250-R252 VanDerWaalsContact O-N 3.08Å; R252-V254 PolarHBondContact O-N 3.22Å | ||
| 253 | T | 58.2 | Low | 60.7 | Low | 123 Ų | 123 | 148.9 Ų | 148.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -65.6 | 111.4 | 167.2 | 49.7 | 0 | 0 | 0 | 0 | 104.6 | R251 L255 | R251-T253 VanDerWaalsContact C-N 3.27Å; R251-T253 PolarHBondContact O-N 2.99Å; T253-L255 PolarHBondContact O-N 2.69Å | ||
| 254 | V | 55.4 | Low | 59.9 | Low | 126 Ų | 126 | 152.9 Ų | 152.9 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -51.3 | 111.2 | 166 | 179 | 0 | 0 | 0 | 0 | 105.2 | R252 V256 | R252-V254 PolarHBondContact O-N 3.22Å; V254-V256 PolarHBondContact O-N 3.09Å | ||
| 255 | L | 55.3 | Low | 59.2 | Low | 150 Ų | 150 | 150.5 Ų | 150.5 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -60.1 | 93.5 | 168.5 | -95.9 | 150.7 | 0 | 0 | 0 | 105.5 | T253 K257 | T253-L255 PolarHBondContact O-N 2.69Å; L255-K257 PolarHBondContact O-N 3.09Å | ||
| 256 | V | 53.7 | Low | 58.6 | Low | 92 Ų | 92 | 145.9 Ų | 145.9 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 91.1 | 159.6 | 179.7 | 0 | 0 | 0 | 0 | 104 | V254 Y258 | V254-V256 PolarHBondContact O-N 3.09Å; V256-Y258 HydrophobicContact CB-CE2 4.26Å; V256-Y258 HydrophobicContact CG1-CD2 4.03Å; V256-Y258 HydrophobicContact CG1-CE1 4.29Å; V256-Y258 HydrophobicContact CG1-CE2 3.75Å; V256-Y258 HydrophobicContact CG1-CG 4.43Å; V256-Y258 PolarHBondContact O-N 3.05Å | ||
| 257 | K | 51.8 | Low | 57.9 | Low | 171 Ų | 171 | 147.8 Ų | 147.8 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -61.7 | 91.9 | 165.8 | -76.9 | -178.6 | 177.1 | 176.9 | 0 | 105.1 | L255 T259 | L255-K257 PolarHBondContact O-N 3.09Å; K257-T259 HydrophobicContact CB-CG2 4.21Å; K257-T259 PolarHBondContact O-N 3.03Å | ||
| 258 | Y | 53.9 | Low | 56.8 | Low | 200 Ų | 200 | 146 Ų | 146 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | -63.7 | 82.7 | 151.5 | -67.4 | -78.6 | 0 | 0 | 0 | 105.7 | V256 K260 | V256-Y258 HydrophobicContact CB-CE2 4.26Å; V256-Y258 HydrophobicContact CG1-CD2 4.03Å; V256-Y258 HydrophobicContact CG1-CE1 4.29Å; V256-Y258 HydrophobicContact CG1-CE2 3.75Å; V256-Y258 HydrophobicContact CG1-CG 4.43Å; V256-Y258 PolarHBondContact O-N 3.05Å; Y258-K260 PolarHBondContact O-N 2.77Å | ||
| 259 | T | 55.3 | Low | 56.2 | Low | 110 Ų | 110 | 143.1 Ų | 143.1 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -64.7 | 87.8 | 157.1 | 55.4 | 0 | 0 | 0 | 0 | 104.6 | K257 P261 | K257-T259 HydrophobicContact CB-CG2 4.21Å; K257-T259 PolarHBondContact O-N 3.03Å; T259-P261 WeakPolarHBondContact O-CD 3.49Å | ||
| 260 | K | 59.2 | Low | 56.1 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 117.7 | 147.3 | -71.6 | -176.4 | 179.7 | -179.3 | 0 | 103.5 | Y258 | Y258-K260 PolarHBondContact O-N 2.77Š|
| 261 | P | 61.9 | Low | 56 | Low | 110 Ų | 110 | 143.5 Ų | 143.5 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 126.8 | 174.5 | 20.8 | -30.2 | 0 | 0 | 0 | 105.2 | T259 L263 | T259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-L263 PolarHBondContact O-N 2.77Å; P261-L263 VanDerWaalsContact O-N 3.1Å |
| 262 | P | 60.1 | Low | 56 | Low | 98 Ų | 98 | 140.3 Ų | 140.3 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 131.2 | 175.4 | 21.6 | -31.4 | 0 | 0 | 0 | 105.5 | K264 | P262-K264 PolarHBondContact O-N 3.02Š|
| 263 | L | 55 | Low | 56.5 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | -61.5 | 90.5 | 178.9 | -159.9 | 140.3 | 0 | 0 | 0 | 106 | P261 I265 | P261-L263 PolarHBondContact O-N 2.77Å; P261-L263 VanDerWaalsContact O-N 3.1Å; L263-I265 HydrophobicContact CD2-CG1 3.72Å; L263-I265 PolarHBondContact O-N 3.24Å | ||
| 264 | K | 55.1 | Low | 56.8 | Low | 180 Ų | 180 | 136 Ų | 136 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -73.3 | 86.8 | 175.9 | -74.6 | -174.8 | -179.9 | -178.1 | 0 | 103.8 | P262 P266 | P262-K264 PolarHBondContact O-N 3.02Å; K264-P266 WeakPolarHBondContact O-CD 3.49Å | ||
| 265 | I | 59.7 | Low | 57.7 | Low | 137 Ų | 137 | 132.6 Ų | 132.6 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | trans | -55.4 | 112.4 | 154.8 | -53.7 | 175.5 | 0 | 0 | 0 | 102.6 | L263 S267 | L263-I265 HydrophobicContact CD2-CG1 3.72Å; L263-I265 PolarHBondContact O-N 3.24Å; I265-S267 PolarHBondContact O-N 3.1Å | ||
| 266 | P | 55.5 | Low | 59 | Low | 101 Ų | 101 | 128.4 Ų | 128.4 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | trans | -51.6 | 128.8 | 175.3 | 22.1 | -31 | 0 | 0 | 0 | 105.3 | K264 C268 | K264-P266 WeakPolarHBondContact O-CD 3.49Å; P266-C268 PolarHBondContact O-N 3.44Å | ||
| 267 | S | 56.4 | Low | 60.4 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | -61.6 | 81.1 | 171.4 | 169.8 | 0 | 0 | 0 | 0 | 106 | I265 P269 | I265-S267 PolarHBondContact O-N 3.1Å; S267-P269 WeakPolarHBondContact O-CD 3.32Å | ||
| 268 | C | 46.4 | Very low | 61.8 | Low | 85 Ų | 85 | 128.3 Ų | 128.3 | 57% | 0.574 | 69% | 0.685 | S | S | * | * | trans | -67.6 | 124 | 176.9 | -152.7 | 0 | 0 | 0 | 0 | 103.6 | P266 K270 | P266-C268 PolarHBondContact O-N 3.44Å; C268-K270 PolarHBondContact O-N 2.99Å; C268-K270 VanDerWaalsContact O-N 3.08Å | ||
| 269 | P | 54.2 | Low | 63.3 | Low | 68 Ų | 68 | 122.3 Ų | 122.3 | 44% | 0.442 | 66% | 0.664 | S | S | . | * | trans | -50 | 125.2 | 169.9 | 21.4 | -31.7 | 0 | 0 | 0 | 106.8 | S267 T271 Y272 | S267-P269 WeakPolarHBondContact O-CD 3.32Å; P269-T271 PolarHBondContact O-N 3.07Å; P269-Y272 HydrophobicContact CB-CD2 3.65Å; P269-Y272 HydrophobicContact CB-CE2 4.09Å; P269-Y272 HydrophobicContact CG-CD2 3.16Å; P269-Y272 HydrophobicContact CG-CE2 3.71Å; P269-Y272 HydrophobicContact CG-CG 3.75Å; P269-Y272 PolarHBondContact O-N 3.3Å | ||
| 270 | K | 59.2 | Low | 64.7 | Low | 210 Ų | 210 | 120.4 Ų | 120.4 | 91% | 0.913 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 9.4 | -165.3 | -72.8 | 177.7 | 175.5 | 176.6 | 0 | 114.9 | C268 | C268-K270 PolarHBondContact O-N 2.99Å; C268-K270 VanDerWaalsContact O-N 3.08Å |
| 271 | T | 56.6 | Low | 65.9 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 66% | 0.663 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159 | 37.5 | -173.9 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | P269 | P269-T271 PolarHBondContact O-N 3.07Š|
| 272 | Y | 58.3 | Low | 67.1 | Low | 168 Ų | 168 | 114 Ų | 114 | 66% | 0.659 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -89.2 | 150.3 | 162.7 | -99.4 | -110.8 | 0 | 0 | 0 | 110.4 | P269 I274 | P269-Y272 HydrophobicContact CB-CD2 3.65Å; P269-Y272 HydrophobicContact CB-CE2 4.09Å; P269-Y272 HydrophobicContact CG-CD2 3.16Å; P269-Y272 HydrophobicContact CG-CE2 3.71Å; P269-Y272 HydrophobicContact CG-CG 3.75Å; P269-Y272 PolarHBondContact O-N 3.3Å; Y272-I274 PolarHBondContact O-N 3.04Å |
| 273 | P | 66.4 | Low | 68.3 | Low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | trans | -55.3 | 114.8 | 174.9 | 23.3 | -32.9 | 0 | 0 | 0 | 109.2 | T275 | P273-T275 PolarHBondContact O-N 3.11Š| ||
| 274 | I | 63.8 | Low | 69.8 | Low | 162 Ų | 162 | 117.7 Ų | 117.7 | 83% | 0.831 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 116.3 | 176.4 | -61.3 | 169.5 | 0 | 0 | 0 | 105.9 | Y272 S276 | Y272-I274 PolarHBondContact O-N 3.04Å; I274-S276 PolarHBondContact O-N 2.77Å |
| 275 | T | 74.3 | Confident | 71.2 | Confident | 55 Ų | 55 | 114.5 Ų | 114.5 | 34% | 0.337 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 139 | 169.2 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | P273 E279 | P273-T275 PolarHBondContact O-N 3.11Å; T275-E279 VanDerWaalsContact CB-OE2 3.27Å; T275-E279 WeakPolarHBondContact CB-OE2 3.41Å; T275-E279 WeakPolarHBondContact CG2-OE2 3.16Å |
| 276 | S | 82.3 | Confident | 72.6 | Confident | 63 Ų | 63 | 110.8 Ų | 110.8 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 150 | -179.6 | 73.2 | 0 | 0 | 0 | 0 | 110.9 | I274 L278 E279 L280 | I274-S276 PolarHBondContact O-N 2.77Å; S276-L278 PolarHBondContact O-N 3.02Å; S276-L278 VanDerWaalsContact O-N 3.13Å; S276-E279 WeakPolarHBondContact O-CB 3.38Å; S276-E279 PolarHBondContact O-N 3.01Å; S276-E279 WeakPolarHBondContact OG-CB 3.49Å; S276-E279 PolarHBondContact OG-N 3.04Å; S276-L280 PolarHBondContact O-N 3.04Å |
| 277 | I | 82.2 | Confident | 74.1 | Confident | 140 Ų | 140 | 109.7 Ų | 109.7 | 72% | 0.718 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -54.8 | -33.7 | 175.7 | -70.2 | 165 | 0 | 0 | 0 | 110.4 | L280 N281 | I277-L280 PolarHBondContact O-N 3.13Å; I277-N281 WeakPolarHBondContact O-CB 3.44Å; I277-N281 PolarHBondContact O-N 2.96Å |
| 278 | L | 81.8 | Confident | 75.7 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 63% | 0.634 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.1 | -49.2 | 173.7 | -61.8 | 175 | 0 | 0 | 0 | 111.8 | S276 L280 N281 I282 | S276-L278 PolarHBondContact O-N 3.02Å; S276-L278 VanDerWaalsContact O-N 3.13Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 2.96Å; L278-N281 PolarHBondContact O-N 3.02Å; L278-I282 VanDerWaalsContact O-CG1 3.31Å; L278-I282 WeakPolarHBondContact O-CG1 3.43Å; L278-I282 PolarHBondContact O-N 2.69Å |
| 279 | E | 85.2 | Confident | 77.8 | Confident | 73 Ų | 73 | 110.2 Ų | 110.2 | 34% | 0.341 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -39.5 | 178.1 | -167.8 | -171.9 | 158.9 | 0 | 0 | 111.7 | T275 S276 I282 K283 | T275-E279 VanDerWaalsContact CB-OE2 3.27Å; T275-E279 WeakPolarHBondContact CB-OE2 3.41Å; T275-E279 WeakPolarHBondContact CG2-OE2 3.16Å; S276-E279 WeakPolarHBondContact O-CB 3.38Å; S276-E279 PolarHBondContact O-N 3.01Å; S276-E279 WeakPolarHBondContact OG-CB 3.49Å; S276-E279 PolarHBondContact OG-N 3.04Å; E279-I282 PolarHBondContact O-N 2.79Å; E279-K283 HydrophobicContact CG-CD 4.46Å; E279-K283 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact OE1-CE 3.23Å; E279-K283 IonicContact OE1-NZ 3.9Å; E279-K283 PolarHBondContact OE1-NZ 3.01Å |
| 280 | L | 85.3 | Confident | 79.5 | Confident | 70 Ų | 70 | 109.4 Ų | 109.4 | 37% | 0.366 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -37.5 | 176.3 | -168.8 | 131.9 | 0 | 0 | 0 | 112 | S276 I277 L278 R284 | S276-L280 PolarHBondContact O-N 3.04Å; I277-L280 PolarHBondContact O-N 3.13Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 2.96Å; L280-R284 WeakPolarHBondContact O-CB 3.2Å; L280-R284 WeakPolarHBondContact O-CG 3.47Å; L280-R284 PolarHBondContact O-N 2.72Å; L280-R284 VanDerWaalsContact O-N 3.15Å |
| 281 | N | 84.6 | Confident | 80.9 | Confident | 63 Ų | 63 | 105.4 Ų | 105.4 | 34% | 0.337 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 173.1 | -100.9 | -9.9 | 0 | 0 | 0 | 112 | I277 L278 R284 R285 | I277-N281 WeakPolarHBondContact O-CB 3.44Å; I277-N281 PolarHBondContact O-N 2.96Å; L278-N281 PolarHBondContact O-N 3.02Å; N281-R284 PolarHBondContact O-N 2.85Å; N281-R285 WeakPolarHBondContact O-CB 3.43Å; N281-R285 PolarHBondContact O-N 2.84Å |
| 282 | I | 86.1 | Confident | 82.5 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -51.8 | 175.8 | -71.3 | 165.6 | 0 | 0 | 0 | 110.1 | L278 E279 R284 R285 I286 | L278-I282 VanDerWaalsContact O-CG1 3.31Å; L278-I282 WeakPolarHBondContact O-CG1 3.43Å; L278-I282 PolarHBondContact O-N 2.69Å; E279-I282 PolarHBondContact O-N 2.79Å; I282-R284 PolarHBondContact O-N 2.73Å; I282-R285 PolarHBondContact O-N 2.99Å; I282-I286 HydrophobicContact CG2-CD1 4.19Å; I282-I286 WeakPolarHBondContact O-CB 3.46Å; I282-I286 PolarHBondContact O-N 3.2Å |
| 283 | K | 86.4 | Confident | 84 | Confident | 139 Ų | 139 | 108.4 Ų | 108.4 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.4 | -26.7 | 179.4 | -77.5 | 175 | 171.2 | 163.1 | 0 | 113.7 | E279 | E279-K283 HydrophobicContact CG-CD 4.46Å; E279-K283 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact OE1-CE 3.23Å; E279-K283 IonicContact OE1-NZ 3.9Å; E279-K283 PolarHBondContact OE1-NZ 3.01Å |
| 284 | R | 85.7 | Confident | 84.8 | Confident | 192 Ų | 192 | 106.4 Ų | 106.4 | 73% | 0.725 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -82.1 | -40.5 | 175.9 | -80.5 | -179.9 | 173.6 | 174.4 | -0.2 | 113.1 | L280 N281 I282 | L280-R284 WeakPolarHBondContact O-CB 3.2Å; L280-R284 WeakPolarHBondContact O-CG 3.47Å; L280-R284 PolarHBondContact O-N 2.72Å; L280-R284 VanDerWaalsContact O-N 3.15Å; N281-R284 PolarHBondContact O-N 2.85Å; I282-R284 PolarHBondContact O-N 2.73Å |
| 285 | R | 85.3 | Confident | 85.8 | Confident | 114 Ų | 114 | 107.4 Ų | 107.4 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -85.1 | -31.5 | -175.9 | -80.5 | -176.2 | 164.2 | 170.3 | -1.1 | 112.9 | N281 I282 N290 F294 D300 | N281-R285 WeakPolarHBondContact O-CB 3.43Å; N281-R285 PolarHBondContact O-N 2.84Å; I282-R285 PolarHBondContact O-N 2.99Å; R285-N290 PolarHBondContact O-ND2 3.45Å; R285-F294 HydrophobicContact CB-CE2 3.87Å; R285-F294 HydrophobicContact CB-CZ 4.38Å; R285-F294 HydrophobicContact CG-CE2 4.43Å; R285-D300 IonicContact NH1-OD2 2.69Å; R285-D300 PolarHBondContact NH1-OD2 2.72Å |
| 286 | I | 88 | Confident | 85.8 | Confident | 58 Ų | 58 | 109.9 Ų | 109.9 | 30% | 0.297 | 54% | 0.543 | S | S | . | . | trans | -111.7 | 123.9 | -175.2 | -62.3 | 165.4 | 0 | 0 | 0 | 109.5 | I282 N290 F294 | I282-I286 HydrophobicContact CG2-CD1 4.19Å; I282-I286 WeakPolarHBondContact O-CB 3.46Å; I282-I286 PolarHBondContact O-N 3.2Å; I286-N290 WeakPolarHBondContact CA-OD1 2.99Å; I286-F294 HydrophobicContact CD1-CD1 3.79Å; I286-F294 HydrophobicContact CD1-CE1 3.98Å; I286-F294 HydrophobicContact CD1-CG 4.17Å; I286-F294 HydrophobicContact CG1-CB 4.31Å; I286-F294 HydrophobicContact CG1-CD1 3.98Å; I286-F294 HydrophobicContact CG1-CD2 4.06Å; I286-F294 HydrophobicContact CG1-CE1 4.33Å; I286-F294 HydrophobicContact CG1-CE2 4.42Å; I286-F294 HydrophobicContact CG1-CG 3.84Å | ||
| 287 | N | 87.5 | Confident | 85.3 | Confident | 79 Ų | 79 | 109.7 Ų | 109.7 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | trans | -131.4 | 173.3 | 174 | 66.7 | 22.7 | 0 | 0 | 0 | 110.2 | S289 N290 Y291 | N287-S289 PolarHBondContact O-N 3.33Å; N287-S289 VanDerWaalsContact O-N 3.12Å; N287-S289 PolarHBondContact OD1-N 3.08Å; N287-S289 VanDerWaalsContact OD1-N 3.11Å; N287-S289 PolarHBondContact OD1-OG 3.2Å; N287-N290 PolarHBondContact N-OD1 3.41Å; N287-N290 PolarHBondContact O-N 3.37Å; N287-N290 PolarHBondContact O-OD1 3.06Å; N287-N290 WeakPolarHBondContact OD1-CB 3.44Å; N287-N290 PolarHBondContact OD1-N 3.17Å; N287-N290 PolarHBondContact OD1-OD1 2.8Å; N287-N290 VanDerWaalsContact OD1-OD1 3.11Å; N287-Y291 PolarHBondContact O-N 3.13Å; N287-Y291 VanDerWaalsContact O-N 3.12Å | ||
| 288 | S | 90.9 | Very high | 84.6 | Confident | 113 Ų | 113 | 109.5 Ų | 109.5 | 79% | 0.79 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.2 | -177.4 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | Y291 | S288-Y291 VanDerWaalsContact O-CD1 3.31Å; S288-Y291 WeakPolarHBondContact O-CD1 3.19Å; S288-Y291 WeakPolarHBondContact O-CE1 3.3Å |
| 289 | S | 89.2 | Confident | 83.6 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -22.2 | 179.5 | 55 | 0 | 0 | 0 | 0 | 114 | N287 | N287-S289 PolarHBondContact O-N 3.33Å; N287-S289 VanDerWaalsContact O-N 3.12Å; N287-S289 PolarHBondContact OD1-N 3.08Å; N287-S289 VanDerWaalsContact OD1-N 3.11Å; N287-S289 PolarHBondContact OD1-OG 3.2Å |
| 290 | N | 91.1 | Very high | 82 | Confident | 50 Ų | 50 | 112.2 Ų | 112.2 | 27% | 0.267 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.2 | -8.6 | -174.3 | 77.7 | 4.5 | 0 | 0 | 0 | 115 | R285 I286 N287 R292 N293 F294 | R285-N290 PolarHBondContact O-ND2 3.45Å; I286-N290 WeakPolarHBondContact CA-OD1 2.99Å; N287-N290 PolarHBondContact N-OD1 3.41Å; N287-N290 PolarHBondContact O-N 3.37Å; N287-N290 PolarHBondContact O-OD1 3.06Å; N287-N290 WeakPolarHBondContact OD1-CB 3.44Å; N287-N290 PolarHBondContact OD1-N 3.17Å; N287-N290 PolarHBondContact OD1-OD1 2.8Å; N287-N290 VanDerWaalsContact OD1-OD1 3.11Å; N290-R292 PolarHBondContact O-N 3.37Å; N290-N293 PolarHBondContact O-N 3.45Å; N290-F294 PolarHBondContact O-N 3.18Å |
| 291 | Y | 88.9 | Confident | 80.2 | Confident | 126 Ų | 126 | 117.3 Ų | 117.3 | 49% | 0.494 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.4 | -31.2 | -171.5 | 78.9 | -80.6 | 0 | 0 | 0 | 114.2 | N287 S288 | N287-Y291 PolarHBondContact O-N 3.13Å; N287-Y291 VanDerWaalsContact O-N 3.12Å; S288-Y291 VanDerWaalsContact O-CD1 3.31Å; S288-Y291 WeakPolarHBondContact O-CD1 3.19Å; S288-Y291 WeakPolarHBondContact O-CE1 3.3Å |
| 292 | R | 89 | Confident | 80 | Confident | 200 Ų | 200 | 120 Ų | 120 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -26.3 | 177.8 | -66.2 | -170.4 | 179.3 | -139.9 | 1.1 | 113.9 | N290 | N290-R292 PolarHBondContact O-N 3.37Š|
| 293 | N | 89.6 | Confident | 79.7 | Confident | 139 Ų | 139 | 121.2 Ų | 121.2 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -2 | -173.3 | -64.2 | -18.4 | 0 | 0 | 0 | 112.8 | N290 K295 | N290-N293 PolarHBondContact O-N 3.45Å; N293-K295 PolarHBondContact O-N 3.41Å |
| 294 | F | 84.7 | Confident | 79.3 | Confident | 77 Ų | 77 | 120.2 Ų | 120.2 | 34% | 0.338 | 63% | 0.625 | S | S | . | * | trans | -72.8 | 123.9 | -177.2 | -176.4 | -98 | 0 | 0 | 0 | 111.4 | R285 I286 N290 | R285-F294 HydrophobicContact CB-CE2 3.87Å; R285-F294 HydrophobicContact CB-CZ 4.38Å; R285-F294 HydrophobicContact CG-CE2 4.43Å; I286-F294 HydrophobicContact CD1-CD1 3.79Å; I286-F294 HydrophobicContact CD1-CE1 3.98Å; I286-F294 HydrophobicContact CD1-CG 4.17Å; I286-F294 HydrophobicContact CG1-CB 4.31Å; I286-F294 HydrophobicContact CG1-CD1 3.98Å; I286-F294 HydrophobicContact CG1-CD2 4.06Å; I286-F294 HydrophobicContact CG1-CE1 4.33Å; I286-F294 HydrophobicContact CG1-CE2 4.42Å; I286-F294 HydrophobicContact CG1-CG 3.84Å; N290-F294 PolarHBondContact O-N 3.18Å | ||
| 295 | K | 83 | Confident | 78.9 | Confident | 183 Ų | 183 | 115.9 Ų | 115.9 | 80% | 0.796 | 62% | 0.619 | S | S | * | * | trans | -111.2 | 125.4 | 171.5 | -67.8 | -176 | 179.4 | -179.5 | 0 | 109.3 | N293 S297 | N293-K295 PolarHBondContact O-N 3.41Å; K295-S297 PolarHBondContact O-N 3.07Å | ||
| 296 | P | 75.7 | Confident | 78.5 | Confident | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | trans | -64.9 | 127.2 | 176.9 | 26.1 | -32.1 | 0 | 0 | 0 | 110.1 | ||||
| 297 | S | 71.4 | Confident | 77.9 | Confident | 60 Ų | 60 | 119.9 Ų | 119.9 | 42% | 0.42 | 65% | 0.653 | S | S | . | * | trans | -74.1 | 129.9 | 168.3 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | K295 I299 | K295-S297 PolarHBondContact O-N 3.07Å; S297-I299 PolarHBondContact O-N 3.21Å | ||
| 298 | V | 68.1 | Low | 77.2 | Confident | 136 Ų | 136 | 122.9 Ų | 122.9 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 2.3 | -176.3 | 178.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 299 | I | 60.4 | Low | 76.2 | Confident | 148 Ų | 148 | 123.6 Ų | 123.6 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -2.8 | -163.2 | -62.3 | 168.7 | 0 | 0 | 0 | 114 | S297 | S297-I299 PolarHBondContact O-N 3.21Š|
| 300 | D | 51.7 | Low | 75.1 | Confident | 103 Ų | 103 | 125.4 Ų | 125.4 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | trans | -108.9 | 25.8 | -173.8 | -66.3 | -30.3 | 0 | 0 | 0 | 114.6 | R285 | R285-D300 IonicContact NH1-OD2 2.69Å; R285-D300 PolarHBondContact NH1-OD2 2.72Å | ||
| 301 | S | 47.5 | Very low | 73.6 | Confident | 176 Ų | 176 | 132.3 Ų | 132.3 | 100% | 1.231 | 69% | 0.691 | S | S | * | * | trans | -98 | 0 | 171.4 | 60.2 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 301 of 301 residues in 89.7 ms
(Link to these results)