| 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 | 43.2 | Very low | 43 | Very low | 242 Ų | 242 | 186.2 Ų | 186.2 | 100% | 1.192 | 89% | 0.889 | S | S | * | * | 0 | 124.5 | 0 | -70 | 171.9 | 176.9 | 0 | 0 | 109.4 | |||||
| 2 | R | 40.9 | Very low | 42.8 | Very low | 246 Ų | 246 | 175.6 Ų | 175.6 | 93% | 0.928 | 87% | 0.866 | S | S | * | * | trans | -116 | 118.5 | 161.7 | -85.9 | -176.4 | 171.5 | 175.2 | -2.5 | 107 | V4 | R2-V4 PolarHBondContact O-N 3.41Š| ||
| 3 | R | 47.3 | Very low | 42.6 | Very low | 255 Ų | 255 | 171.9 Ų | 171.9 | 96% | 0.962 | 86% | 0.863 | S | S | * | * | trans | -76.7 | 112.3 | 172.7 | -69.6 | -173.2 | -179 | -156.8 | 1.1 | 107.8 | S5 | R3-S5 PolarHBondContact O-N 3.46Š| ||
| 4 | V | 40.7 | Very low | 42.4 | Very low | 137 Ų | 137 | 171.8 Ų | 171.8 | 83% | 0.83 | 87% | 0.865 | S | S | * | * | trans | -81 | 112.6 | 167.7 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | R2 R6 | R2-V4 PolarHBondContact O-N 3.41Å; V4-R6 PolarHBondContact O-N 3.36Å | ||
| 5 | S | 41.1 | Very low | 42.7 | Very low | 110 Ų | 110 | 171.3 Ų | 171.3 | 77% | 0.769 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.9 | 174.7 | -161.8 | 0 | 0 | 0 | 0 | 109.1 | R3 R7 | R3-S5 PolarHBondContact O-N 3.46Å; S5-R7 PolarHBondContact O-N 3.31Å |
| 6 | R | 44.2 | Very low | 43.3 | Very low | 240 Ų | 240 | 171.7 Ų | 171.7 | 91% | 0.906 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -70 | 118.7 | 168.9 | -73.9 | -174.7 | 175.3 | -172.5 | -1.8 | 107.3 | V4 A8 | V4-R6 PolarHBondContact O-N 3.36Å; R6-A8 PolarHBondContact O-N 3.2Å |
| 7 | R | 39.8 | Very low | 44.2 | Very low | 238 Ų | 238 | 171.4 Ų | 171.4 | 90% | 0.898 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 132.7 | 164.4 | -75.5 | -179.9 | 172.4 | 165.7 | -3.9 | 107.8 | S5 C9 | S5-R7 PolarHBondContact O-N 3.31Å; R7-C9 PolarHBondContact O-N 2.98Å |
| 8 | A | 44.6 | Very low | 45.5 | Very low | 87 Ų | 87 | 168.2 Ų | 168.2 | 72% | 0.719 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 127 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | R6 E10 | R6-A8 PolarHBondContact O-N 3.2Å; A8-E10 PolarHBondContact O-N 2.95Å |
| 9 | C | 38.2 | Very low | 47.2 | Very low | 130 Ų | 130 | 163.4 Ų | 163.4 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -80.8 | 99.5 | 162.1 | -67.6 | 0 | 0 | 0 | 0 | 105.7 | R7 | R7-C9 PolarHBondContact O-N 2.98Š| ||
| 10 | E | 45.3 | Very low | 49.1 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -70.6 | 144.4 | 164.3 | -66.4 | -166.2 | 151.2 | 0 | 0 | 109.2 | A8 | A8-E10 PolarHBondContact O-N 2.95Š| ||
| 11 | E | 48.1 | Very low | 50.7 | Low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | 46.5 | 69.5 | 162.4 | -58.2 | -170.3 | 157.1 | 0 | 0 | 116.4 | ||||
| 12 | G | 40 | Very low | 52.5 | Low | 59 Ų | 59 | 136.7 Ų | 136.7 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -63.7 | 151 | 140.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L14 | G12-L14 PolarHBondContact O-N 3.2Š| ||
| 13 | P | 40.2 | Very low | 54.6 | Low | 128 Ų | 128 | 128.8 Ų | 128.8 | 83% | 0.831 | 66% | 0.655 | S | S | * | * | trans | -54.3 | 139.1 | 173.7 | 24.8 | -33.7 | 0 | 0 | 0 | 109.4 | L15 | P13-L15 PolarHBondContact O-N 3.26Š| ||
| 14 | L | 40.3 | Very low | 56.4 | Low | 170 Ų | 170 | 121 Ų | 121 | 89% | 0.89 | 63% | 0.626 | S | S | * | * | trans | -44.6 | 131.6 | 176.8 | -73 | 168.2 | 0 | 0 | 0 | 109.2 | G12 E16 | G12-L14 PolarHBondContact O-N 3.2Å; L14-E16 PolarHBondContact O-N 2.89Å | ||
| 15 | L | 46.8 | Very low | 58.5 | Low | 164 Ų | 164 | 115.9 Ų | 115.9 | 86% | 0.859 | 59% | 0.593 | S | S | * | * | trans | -54.7 | 111.2 | 170.7 | -71 | 171.7 | 0 | 0 | 0 | 106.8 | P13 E17 | P13-L15 PolarHBondContact O-N 3.26Å; L15-E17 PolarHBondContact O-N 2.8Å | ||
| 16 | E | 52 | Low | 60.6 | Low | 178 Ų | 178 | 113.5 Ų | 113.5 | 83% | 0.832 | 57% | 0.571 | S | S | * | * | trans | -53.2 | 108.1 | 166.6 | -171.3 | 173.7 | -127.9 | 0 | 0 | 105.2 | L14 Q18 | L14-E16 PolarHBondContact O-N 2.89Å; E16-Q18 PolarHBondContact O-N 3.25Å | ||
| 17 | E | 59.4 | Low | 62.7 | Low | 167 Ų | 167 | 106.5 Ų | 106.5 | 78% | 0.78 | 55% | 0.549 | S | S | * | . | trans | -54.2 | 117.1 | -171.9 | -71.9 | -173.9 | 161.7 | 0 | 0 | 107.2 | L15 E19 | L15-E17 PolarHBondContact O-N 2.8Å; E17-E19 PolarHBondContact O-N 3.16Å | ||
| 18 | Q | 67.8 | Low | 64.9 | Low | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | trans | -81.9 | 69.8 | -163.7 | -165.8 | 167.4 | -27.7 | 0 | 0 | 109.6 | E16 I158 L162 | E16-Q18 PolarHBondContact O-N 3.25Å; Q18-I158 HydrophobicContact CG-CD1 4.39Å; Q18-I158 HydrophobicContact CG-CG2 4.07Å; Q18-I158 VanDerWaalsContact NE2-CD1 3.33Å; Q18-I158 VanDerWaalsContact NE2-CG1 3.26Å; Q18-L162 WeakPolarHBondContact O-CD1 3.48Å | ||
| 19 | E | 77.1 | Confident | 66.8 | Low | 77 Ų | 77 | 98 Ų | 98 | 36% | 0.36 | 51% | 0.514 | S | S | . | . | trans | -57.6 | 134.7 | -178.2 | -63.6 | -177.3 | 146.8 | 0 | 0 | 111.2 | E17 R24 | E17-E19 PolarHBondContact O-N 3.16Å; E19-R24 HydrophobicContact CB-CG 3.64Å; E19-R24 WeakPolarHBondContact OE2-CD 3.42Å; E19-R24 VanDerWaalsContact OE2-CG 3.3Å; E19-R24 WeakPolarHBondContact OE2-CG 3.45Å | ||
| 20 | T | 84.4 | Confident | 69.2 | Low | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 49% | 0.493 | C | S | . | . | trans | -68.2 | 154.9 | 170.5 | 41.3 | 0 | 0 | 0 | 0 | 111.9 | G22 Q23 R24 E159 L162 F163 | T20-G22 PolarHBondContact O-N 2.96Å; T20-Q23 VanDerWaalsContact N-OE1 3.1Å; T20-Q23 WeakPolarHBondContact O-CB 3.32Å; T20-Q23 PolarHBondContact O-N 3.35Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.32Å; T20-Q23 PolarHBondContact OG1-OE1 3.34Å; T20-R24 VanDerWaalsContact O-CG 3.31Å; T20-R24 WeakPolarHBondContact O-CG 3.4Å; T20-R24 PolarHBondContact O-N 2.67Å; T20-E159 WeakPolarHBondContact CB-OE1 3.25Å; T20-E159 HydrophobicContact CG2-CG 4.41Å; T20-L162 HydrophobicContact CG2-CB 4.46Å; T20-L162 HydrophobicContact CG2-CD1 3.83Å; T20-F163 HydrophobicContact CG2-CD2 3.89Å; T20-F163 HydrophobicContact CG2-CE2 3.52Å | ||
| 21 | E | 82.8 | Confident | 71.1 | Confident | 8 Ų | 8 | 91.1 Ų | 91.1 | 4% | 0.037 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 176.7 | -69.1 | -57.9 | 140.7 | 0 | 0 | 111 | Q23 R24 Q25 L151 E155 E159 Y176 | E21-Q23 VanDerWaalsContact C-N 3.34Å; E21-Q23 PolarHBondContact O-N 2.85Å; E21-R24 VanDerWaalsContact CD-CZ 3.49Å; E21-R24 PolarHBondContact O-N 3.23Å; E21-R24 IonicContact OE1-CZ 3.13Å; E21-R24 IonicContact OE1-NH1 2.7Å; E21-R24 PolarHBondContact OE1-NH1 3.44Å; E21-R24 IonicContact OE1-NH2 3.38Å; E21-R24 PolarHBondContact OE1-NH2 2.92Å; E21-R24 IonicContact OE2-CZ 3.36Å; E21-R24 IonicContact OE2-NH1 2.63Å; E21-R24 IonicContact OE2-NH2 3.77Å; E21-R24 PolarHBondContact OE2-NH2 3.12Å; E21-Q25 VanDerWaalsContact O-CB 3.32Å; E21-Q25 WeakPolarHBondContact O-CB 3.45Å; E21-Q25 WeakPolarHBondContact O-CG 3.27Å; E21-Q25 PolarHBondContact O-N 2.65Å; E21-L151 HydrophobicContact CB-CD2 3.56Å; E21-L151 HydrophobicContact CG-CD2 3.45Å; E21-L151 VanDerWaalsContact CG-CD2 3.45Å; E21-E155 VanDerWaalsContact CD-CD 3.48Å; E21-E155 HydrophobicContact CG-CB 3.67Å; E21-E155 HydrophobicContact CG-CG 3.99Å; E21-E155 WeakPolarHBondContact OE1-CG 3.14Å; E21-E159 WeakPolarHBondContact CA-OE1 3.14Å; E21-E159 WeakPolarHBondContact CB-OE1 3.29Å; E21-E159 PolarHBondContact N-OE1 3.41Å; E21-Y176 HydrophobicContact CB-CD1 4.23Å |
| 22 | G | 82.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | T20 L26 E159 L175 | T20-G22 PolarHBondContact O-N 2.96Å; G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 PolarHBondContact O-N 3.33Å; G22-E159 PolarHBondContact N-OE1 3.01Å; G22-L175 WeakPolarHBondContact O-CD1 3.43Å |
| 23 | Q | 85.2 | Confident | 74.8 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 175.3 | -75.9 | 168.9 | -15.5 | 0 | 0 | 111.6 | T20 E21 Q25 L26 H27 L172 | T20-Q23 VanDerWaalsContact N-OE1 3.1Å; T20-Q23 WeakPolarHBondContact O-CB 3.32Å; T20-Q23 PolarHBondContact O-N 3.35Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.32Å; T20-Q23 PolarHBondContact OG1-OE1 3.34Å; E21-Q23 VanDerWaalsContact C-N 3.34Å; E21-Q23 PolarHBondContact O-N 2.85Å; Q23-Q25 VanDerWaalsContact C-N 3.31Å; Q23-Q25 PolarHBondContact O-N 3.36Å; Q23-L26 PolarHBondContact O-N 3.43Å; Q23-H27 WeakPolarHBondContact O-CB 3.41Å; Q23-H27 PolarHBondContact O-N 3.4Å; Q23-L172 HydrophobicContact CG-CD1 3.93Å |
| 24 | R | 85.1 | Confident | 77 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 179.4 | -56.2 | -144.6 | -51.7 | -84.5 | -3.8 | 112.4 | E19 T20 E21 H27 S28 | E19-R24 HydrophobicContact CB-CG 3.64Å; E19-R24 WeakPolarHBondContact OE2-CD 3.42Å; E19-R24 VanDerWaalsContact OE2-CG 3.3Å; E19-R24 WeakPolarHBondContact OE2-CG 3.45Å; T20-R24 VanDerWaalsContact O-CG 3.31Å; T20-R24 WeakPolarHBondContact O-CG 3.4Å; T20-R24 PolarHBondContact O-N 2.67Å; E21-R24 VanDerWaalsContact CD-CZ 3.49Å; E21-R24 PolarHBondContact O-N 3.23Å; E21-R24 IonicContact OE1-CZ 3.13Å; E21-R24 IonicContact OE1-NH1 2.7Å; E21-R24 PolarHBondContact OE1-NH1 3.44Å; E21-R24 IonicContact OE1-NH2 3.38Å; E21-R24 PolarHBondContact OE1-NH2 2.92Å; E21-R24 IonicContact OE2-CZ 3.36Å; E21-R24 IonicContact OE2-NH1 2.63Å; E21-R24 IonicContact OE2-NH2 3.77Å; E21-R24 PolarHBondContact OE2-NH2 3.12Å; R24-H27 PolarHBondContact O-N 3.27Å; R24-S28 WeakPolarHBondContact O-CB 3.1Å; R24-S28 PolarHBondContact O-N 3.34Å |
| 25 | Q | 84.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -70 | -42.5 | 177.2 | -71.1 | 164.4 | 11.9 | 0 | 0 | 111.6 | E21 Q23 H27 S28 L29 L175 | E21-Q25 VanDerWaalsContact O-CB 3.32Å; E21-Q25 WeakPolarHBondContact O-CB 3.45Å; E21-Q25 WeakPolarHBondContact O-CG 3.27Å; E21-Q25 PolarHBondContact O-N 2.65Å; Q23-Q25 VanDerWaalsContact C-N 3.31Å; Q23-Q25 PolarHBondContact O-N 3.36Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; Q25-S28 PolarHBondContact O-N 2.83Å; Q25-L29 WeakPolarHBondContact O-CB 3.14Å; Q25-L29 PolarHBondContact O-N 3.39Å; Q25-L175 HydrophobicContact CB-CB 4.09Å; Q25-L175 HydrophobicContact CB-CD1 4.22Å; Q25-L175 PolarHBondContact OE1-O 3.21Å |
| 26 | L | 86.1 | Confident | 80.3 | Confident | 60 Ų | 60 | 85.5 Ų | 85.5 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 172.7 | -179.6 | 65.5 | 0 | 0 | 0 | 111.2 | G22 Q23 S28 L29 L30 F171 L172 L175 | G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 PolarHBondContact O-N 3.33Å; Q23-L26 PolarHBondContact O-N 3.43Å; L26-S28 PolarHBondContact O-N 3.17Å; L26-L29 WeakPolarHBondContact O-CB 3.37Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L30 WeakPolarHBondContact O-CB 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; L26-F171 HydrophobicContact CD1-CE1 3.95Å; L26-F171 HydrophobicContact CD1-CZ 4.02Å; L26-F171 HydrophobicContact CD2-CE1 4.25Å; L26-L172 HydrophobicContact CB-CD2 4.04Å; L26-L172 HydrophobicContact CD2-CD2 4.01Å; L26-L175 HydrophobicContact CB-CD1 3.91Å |
| 27 | H | 87.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.1 | -177.2 | -150.7 | 0 | 0 | 0 | 111.4 | Q23 R24 Q25 L29 L30 L31 | Q23-H27 WeakPolarHBondContact O-CB 3.41Å; Q23-H27 PolarHBondContact O-N 3.4Å; R24-H27 PolarHBondContact O-N 3.27Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; H27-L29 VanDerWaalsContact C-N 3.32Å; H27-L29 PolarHBondContact O-N 3.18Å; H27-L30 PolarHBondContact O-N 2.81Å; H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 3Å |
| 28 | S | 85.3 | Confident | 82.3 | Confident | 75 Ų | 75 | 77.7 Ų | 77.7 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 173.9 | -174.1 | 0 | 0 | 0 | 0 | 113.2 | R24 Q25 L26 Q32 | R24-S28 WeakPolarHBondContact O-CB 3.1Å; R24-S28 PolarHBondContact O-N 3.34Å; Q25-S28 PolarHBondContact O-N 2.83Å; L26-S28 PolarHBondContact O-N 3.17Å; S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 3.08Å; S28-Q32 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 85.1 | Confident | 82.9 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 37% | 0.372 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 175.5 | -171.8 | 82.2 | 0 | 0 | 0 | 110.9 | Q25 L26 H27 Q32 Q33 | Q25-L29 WeakPolarHBondContact O-CB 3.14Å; Q25-L29 PolarHBondContact O-N 3.39Å; L26-L29 WeakPolarHBondContact O-CB 3.37Å; L26-L29 PolarHBondContact O-N 3.43Å; H27-L29 VanDerWaalsContact C-N 3.32Å; H27-L29 PolarHBondContact O-N 3.18Å; L29-Q32 CarbonylContact O-C 3.59Å; L29-Q32 WeakPolarHBondContact O-CA 3.49Å; L29-Q32 WeakPolarHBondContact O-CB 3.35Å; L29-Q32 PolarHBondContact O-N 3.28Å; L29-Q32 VanDerWaalsContact O-N 3.13Å; L29-Q33 WeakPolarHBondContact O-CG 3.45Å; L29-Q33 PolarHBondContact O-N 3.39Å |
| 30 | L | 88.4 | Confident | 82.9 | Confident | 80 Ų | 80 | 77.4 Ų | 77.4 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 179.9 | -174.1 | 153.8 | 0 | 0 | 0 | 111 | L26 H27 Q32 Q33 L34 | L26-L30 WeakPolarHBondContact O-CB 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; H27-L30 PolarHBondContact O-N 2.81Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.13Å; L30-Q33 PolarHBondContact O-N 3.18Å; L30-Q33 VanDerWaalsContact O-N 3.12Å; L30-L34 HydrophobicContact CD2-CD1 3.56Å; L30-L34 HydrophobicContact CD2-CG 4.07Å; L30-L34 WeakPolarHBondContact O-CG 3.27Å; L30-L34 PolarHBondContact O-N 3.24Å |
| 31 | L | 86 | Confident | 82.7 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 40% | 0.398 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 170.5 | -70.9 | 172.9 | 0 | 0 | 0 | 110.7 | H27 Q33 L34 H35 | H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 3Å; L31-Q33 VanDerWaalsContact C-N 3.28Å; L31-Q33 PolarHBondContact O-N 3.34Å; L31-L34 PolarHBondContact O-N 2.91Å; L31-H35 PolarHBondContact O-CD2 3.36Å; L31-H35 PolarHBondContact O-N 2.98Å |
| 32 | Q | 81.7 | Confident | 82.3 | Confident | 89 Ų | 89 | 86.2 Ų | 86.2 | 42% | 0.416 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 176.7 | 169.5 | 162.3 | -55.8 | 0 | 0 | 113.6 | S28 L29 L30 K46 | S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 3.08Å; S28-Q32 VanDerWaalsContact O-N 3.08Å; L29-Q32 CarbonylContact O-C 3.59Å; L29-Q32 WeakPolarHBondContact O-CA 3.49Å; L29-Q32 WeakPolarHBondContact O-CB 3.35Å; L29-Q32 PolarHBondContact O-N 3.28Å; L29-Q32 VanDerWaalsContact O-N 3.13Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.13Å; Q32-K46 VanDerWaalsContact OE1-NZ 3.13Å |
| 33 | Q | 83.3 | Confident | 81.8 | Confident | 141 Ų | 141 | 87.6 Ų | 87.6 | 66% | 0.659 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.6 | -37.4 | 177.4 | -73.7 | 174.9 | -31.3 | 0 | 0 | 113 | L29 L30 L31 H35 | L29-Q33 WeakPolarHBondContact O-CG 3.45Å; L29-Q33 PolarHBondContact O-N 3.39Å; L30-Q33 PolarHBondContact O-N 3.18Å; L30-Q33 VanDerWaalsContact O-N 3.12Å; L31-Q33 VanDerWaalsContact C-N 3.28Å; L31-Q33 PolarHBondContact O-N 3.34Å; Q33-H35 VanDerWaalsContact C-N 3.25Å; Q33-H35 PolarHBondContact O-N 3.31Å |
| 34 | L | 86.7 | Confident | 81.2 | Confident | 120 Ų | 120 | 88.6 Ų | 88.6 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.2 | -18 | 176.7 | -68.7 | -177.6 | 0 | 0 | 0 | 113.4 | L30 L31 T36 | L30-L34 HydrophobicContact CD2-CD1 3.56Å; L30-L34 HydrophobicContact CD2-CG 4.07Å; L30-L34 WeakPolarHBondContact O-CG 3.27Å; L30-L34 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 2.91Å; L34-T36 PolarHBondContact O-N 3.14Å |
| 35 | H | 76.7 | Confident | 80.6 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | trans | -74.3 | 92.1 | 176.4 | -72.3 | -153.4 | 0 | 0 | 0 | 111.5 | L31 Q33 G37 R42 | L31-H35 PolarHBondContact O-CD2 3.36Å; L31-H35 PolarHBondContact O-N 2.98Å; Q33-H35 VanDerWaalsContact C-N 3.25Å; Q33-H35 PolarHBondContact O-N 3.31Å; H35-G37 PolarHBondContact O-N 3.07Å; H35-R42 VanDerWaalsContact CB-NH1 3.34Å; H35-R42 PolarHBondContact ND1-NH2 3.02Å | ||
| 36 | T | 80.8 | Confident | 80 | Confident | 141 Ų | 141 | 90.2 Ų | 90.2 | 87% | 0.865 | 51% | 0.505 | S | S | * | . | trans | -68 | -14.3 | 175.9 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | L34 V38 | L34-T36 PolarHBondContact O-N 3.14Å; T36-V38 PolarHBondContact O-N 3.44Å | ||
| 37 | G | 79.9 | Confident | 79.1 | Confident | 48 Ų | 48 | 97.5 Ų | 97.5 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | trans | -76 | 116.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | H35 R42 | H35-G37 PolarHBondContact O-N 3.07Å; G37-R42 PolarHBondContact O-NH1 3.26Å; G37-R42 VanDerWaalsContact O-NH1 3.11Å | ||
| 38 | V | 73.5 | Confident | 78 | Confident | 132 Ų | 132 | 97.8 Ų | 97.8 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | trans | -91.7 | 123.7 | 168.8 | -176.5 | 0 | 0 | 0 | 0 | 109 | T36 | T36-V38 PolarHBondContact O-N 3.44Š| ||
| 39 | D | 78.9 | Confident | 76.4 | Confident | 77 Ų | 77 | 100 Ų | 100 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | trans | -131.5 | 136.5 | 176.5 | 162.1 | 40.4 | 0 | 0 | 0 | 108.6 | D41 R42 C43 | D39-D41 PolarHBondContact OD1-N 3.12Å; D39-R42 HydrophobicContact CB-CB 3.93Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-R42 WeakPolarHBondContact OD2-CB 3.3Å; D39-R42 PolarHBondContact OD2-N 2.71Å; D39-C43 PolarHBondContact O-N 3.47Å; D39-C43 PolarHBondContact O-SG 3.42Å | ||
| 40 | V | 78.1 | Confident | 75 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -42.5 | -177.2 | 180 | 0 | 0 | 0 | 0 | 110.4 | R42 C43 V44 | V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.35Å; V40-C43 PolarHBondContact O-N 3.13Å; V40-V44 HydrophobicContact CG1-CG2 4.45Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.47Å |
| 41 | D | 78.8 | Confident | 73.3 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 66% | 0.663 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -39.4 | 179.4 | -74.3 | -24.2 | 0 | 0 | 0 | 110.8 | D39 V44 A45 | D39-D41 PolarHBondContact OD1-N 3.12Å; D41-V44 PolarHBondContact O-N 3.13Å; D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.27Å; D41-A45 PolarHBondContact O-N 3Å |
| 42 | R | 75.3 | Confident | 71.9 | Confident | 69 Ų | 69 | 106.9 Ų | 106.9 | 26% | 0.26 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.6 | -38.8 | 171.8 | -170.2 | 176.8 | 179.5 | -135.6 | -2.6 | 113.5 | H35 G37 D39 V40 K46 | H35-R42 VanDerWaalsContact CB-NH1 3.34Å; H35-R42 PolarHBondContact ND1-NH2 3.02Å; G37-R42 PolarHBondContact O-NH1 3.26Å; G37-R42 VanDerWaalsContact O-NH1 3.11Å; D39-R42 HydrophobicContact CB-CB 3.93Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-R42 WeakPolarHBondContact OD2-CB 3.3Å; D39-R42 PolarHBondContact OD2-N 2.71Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.35Å; R42-K46 WeakPolarHBondContact O-CG 3.49Å; R42-K46 PolarHBondContact O-N 2.92Å; R42-K46 VanDerWaalsContact O-N 3.1Å |
| 43 | C | 72.1 | Confident | 70.9 | Confident | 28 Ų | 28 | 107.2 Ų | 107.2 | 19% | 0.189 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -66.9 | -42.1 | 174.6 | -77.6 | 0 | 0 | 0 | 0 | 112.1 | D39 V40 K46 R47 Q48 F50 | D39-C43 PolarHBondContact O-N 3.47Å; D39-C43 PolarHBondContact O-SG 3.42Å; V40-C43 PolarHBondContact O-N 3.13Å; C43-K46 PolarHBondContact O-N 3.43Å; C43-R47 PolarHBondContact O-N 3.24Å; C43-Q48 PolarHBondContact O-N 3Å; C43-F50 HydrophobicContact CB-CE2 4.49Å |
| 44 | V | 71.8 | Confident | 69.8 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -41.3 | 174.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | V40 D41 K46 R47 | V40-V44 HydrophobicContact CG1-CG2 4.45Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.47Å; D41-V44 PolarHBondContact O-N 3.13Å; V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 2.78Å; V44-R47 WeakPolarHBondContact O-CA 3.43Å; V44-R47 PolarHBondContact O-N 3.1Å |
| 45 | A | 73.5 | Confident | 68.8 | Low | 81 Ų | 81 | 107 Ų | 107 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.2 | -36.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D41 R47 | D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.27Å; D41-A45 PolarHBondContact O-N 3Å; A45-R47 PolarHBondContact O-N 3.29Å |
| 46 | K | 71.8 | Confident | 68.4 | Low | 74 Ų | 74 | 109.1 Ų | 109.1 | 32% | 0.322 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -0.2 | 171.1 | -70.9 | 178.5 | -178.5 | -174.7 | 0 | 114 | Q32 R42 C43 V44 Q48 | Q32-K46 VanDerWaalsContact OE1-NZ 3.13Å; R42-K46 WeakPolarHBondContact O-CG 3.49Å; R42-K46 PolarHBondContact O-N 2.92Å; R42-K46 VanDerWaalsContact O-N 3.1Å; C43-K46 PolarHBondContact O-N 3.43Å; V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 2.78Å; K46-Q48 HydrophobicContact CB-CG 4.16Å; K46-Q48 PolarHBondContact O-N 3.47Å; K46-Q48 VanDerWaalsContact O-N 3.12Å |
| 47 | R | 66.2 | Low | 67.7 | Low | 212 Ų | 212 | 112.2 Ų | 112.2 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.8 | 26.3 | -178.1 | -45.4 | -176.4 | 83.4 | -171.8 | 5.4 | 113.4 | C43 V44 A45 C49 | C43-R47 PolarHBondContact O-N 3.24Å; V44-R47 WeakPolarHBondContact O-CA 3.43Å; V44-R47 PolarHBondContact O-N 3.1Å; A45-R47 PolarHBondContact O-N 3.29Å; R47-C49 PolarHBondContact O-N 2.62Å; R47-C49 PolarHBondContact O-SG 2.68Å; R47-C49 VanDerWaalsContact O-SG 3.35Å |
| 48 | Q | 63.6 | Low | 67.1 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 47% | 0.472 | 62% | 0.618 | S | S | . | * | trans | -69.5 | 97.7 | 175.2 | -73.3 | -174.1 | -17.6 | 0 | 0 | 108.7 | C43 K46 F50 | C43-Q48 PolarHBondContact O-N 3Å; K46-Q48 HydrophobicContact CB-CG 4.16Å; K46-Q48 PolarHBondContact O-N 3.47Å; K46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-F50 HydrophobicContact CB-CE2 4.35Å; Q48-F50 HydrophobicContact CB-CZ 4.5Å; Q48-F50 PolarHBondContact O-N 2.73Å | ||
| 49 | C | 51.6 | Low | 66.8 | Low | 122 Ų | 122 | 107.8 Ų | 107.8 | 82% | 0.824 | 59% | 0.586 | S | S | * | * | trans | -82.6 | 101.7 | 177.9 | -62.1 | 0 | 0 | 0 | 0 | 108.2 | R47 A51 | R47-C49 PolarHBondContact O-N 2.62Å; R47-C49 PolarHBondContact O-SG 2.68Å; R47-C49 VanDerWaalsContact O-SG 3.35Å; C49-A51 PolarHBondContact O-N 2.92Å | ||
| 50 | F | 56.7 | Low | 66.6 | Low | 164 Ų | 164 | 107 Ų | 107 | 72% | 0.719 | 60% | 0.596 | S | S | * | * | trans | -69.8 | 98.4 | 168.5 | -61.5 | -81.3 | 0 | 0 | 0 | 108.2 | C43 Q48 | C43-F50 HydrophobicContact CB-CE2 4.49Å; Q48-F50 HydrophobicContact CB-CE2 4.35Å; Q48-F50 HydrophobicContact CB-CZ 4.5Å; Q48-F50 PolarHBondContact O-N 2.73Å | ||
| 51 | A | 53 | Low | 66.6 | Low | 87 Ų | 87 | 110.5 Ų | 110.5 | 72% | 0.719 | 61% | 0.605 | S | S | * | * | trans | -59.3 | 136.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | C49 | C49-A51 PolarHBondContact O-N 2.92Š| ||
| 52 | P | 56.6 | Low | 66.6 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 78% | 0.779 | 60% | 0.603 | S | S | * | * | trans | -58.8 | 144.7 | 171 | 27.6 | -34.1 | 0 | 0 | 0 | 108.6 | S54 | P52-S54 PolarHBondContact O-N 3.4Š| ||
| 53 | A | 59.6 | Low | 66.7 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 79% | 0.793 | 60% | 0.603 | S | S | * | * | trans | -55.3 | 109.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L55 | A53-L55 PolarHBondContact O-N 3.36Å; A53-L55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | S | 60.7 | Low | 67.1 | Low | 110 Ų | 110 | 110.3 Ų | 110.3 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | trans | -65.8 | 113.2 | 174.9 | 50.4 | 0 | 0 | 0 | 0 | 107.9 | P52 Y56 | P52-S54 PolarHBondContact O-N 3.4Å; S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 3.37Å | ||
| 55 | L | 65.1 | Low | 67.7 | Low | 145 Ų | 145 | 108.9 Ų | 108.9 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | trans | -69.2 | 88.5 | 171.6 | -69.8 | 175.1 | 0 | 0 | 0 | 108.4 | A53 R57 | A53-L55 PolarHBondContact O-N 3.36Å; A53-L55 VanDerWaalsContact O-N 3.13Å; L55-R57 PolarHBondContact O-N 2.99Å; L55-R57 VanDerWaalsContact O-N 3.12Å | ||
| 56 | Y | 68.1 | Low | 68.3 | Low | 151 Ų | 151 | 111.9 Ų | 111.9 | 59% | 0.592 | 63% | 0.63 | S | S | * | * | trans | -58.2 | 114.8 | 170.8 | -179.1 | -119 | 0 | 0 | 0 | 108.2 | S54 P58 E79 | S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 3.37Å; Y56-P58 VanDerWaalsContact C-CD 3.43Å; Y56-P58 HydrophobicContact CD1-CB 4.3Å; Y56-P58 HydrophobicContact CD1-CG 4.03Å; Y56-P58 HydrophobicContact CE1-CB 3.59Å; Y56-P58 HydrophobicContact CE1-CG 3.72Å; Y56-P58 HydrophobicContact CE2-CB 4.47Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å; Y56-E79 PolarHBondContact OH-OE2 3.36Å | ||
| 57 | R | 66.5 | Low | 68.8 | Low | 205 Ų | 205 | 114.5 Ų | 114.5 | 77% | 0.774 | 64% | 0.638 | S | S | * | * | trans | -113.3 | 77.1 | 178.8 | -74.6 | -175 | 178.6 | -179.1 | 0.4 | 108.5 | L55 F59 | L55-R57 PolarHBondContact O-N 2.99Å; L55-R57 VanDerWaalsContact O-N 3.12Å; R57-F59 PolarHBondContact O-N 3.21Å | ||
| 58 | P | 67.3 | Low | 70 | Confident | 59 Ų | 59 | 106.8 Ų | 106.8 | 38% | 0.383 | 62% | 0.616 | S | S | . | * | trans | -60 | 133.1 | -175 | 21.1 | -30.6 | 0 | 0 | 0 | 111.6 | Y56 G60 | Y56-P58 VanDerWaalsContact C-CD 3.43Å; Y56-P58 HydrophobicContact CD1-CB 4.3Å; Y56-P58 HydrophobicContact CD1-CG 4.03Å; Y56-P58 HydrophobicContact CE1-CB 3.59Å; Y56-P58 HydrophobicContact CE1-CG 3.72Å; Y56-P58 HydrophobicContact CE2-CB 4.47Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-G60 PolarHBondContact O-N 3.41Å | ||
| 59 | F | 68.3 | Low | 71.3 | Confident | 29 Ų | 29 | 108 Ų | 108 | 13% | 0.127 | 63% | 0.626 | C | S | . | * | S | Bend | trans | 57.9 | -15.5 | 165.7 | -40.5 | -59.7 | 0 | 0 | 0 | 119.6 | R57 E61 Q62 A63 F72 L75 Q76 E79 | R57-F59 PolarHBondContact O-N 3.21Å; F59-E61 PolarHBondContact O-N 3.28Å; F59-Q62 VanDerWaalsContact O-CB 3.26Å; F59-Q62 WeakPolarHBondContact O-CB 3.07Å; F59-Q62 PolarHBondContact O-N 3.09Å; F59-A63 HydrophobicContact CB-CB 3.38Å; F59-A63 HydrophobicContact CD2-CB 4.23Å; F59-A63 HydrophobicContact CG-CB 3.96Å; F59-F72 AromaticContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CZ 4.27Å; F59-F72 AromaticContact CE2-CE2 3.59Å; F59-F72 HydrophobicContact CE2-CE2 3.59Å; F59-F72 AromaticContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CG-CE2 4.48Å; F59-F72 HydrophobicContact CZ-CE2 4.16Å; F59-F72 HydrophobicContact CZ-CZ 4.08Å; F59-L75 HydrophobicContact CD1-CB 4.04Å; F59-L75 HydrophobicContact CE1-CB 4.39Å; F59-Q76 HydrophobicContact CE1-CG 4.04Å; F59-Q76 HydrophobicContact CZ-CG 3.76Å; F59-E79 HydrophobicContact CE1-CB 4.33Å; F59-E79 VanDerWaalsContact CE1-OE2 3.26Å; F59-E79 WeakPolarHBondContact CE1-OE2 3.41Å |
| 60 | G | 73.4 | Confident | 73.2 | Confident | 61 Ų | 61 | 105.9 Ų | 105.9 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.2 | -132.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P58 Q62 | P58-G60 PolarHBondContact O-N 3.41Å; G60-Q62 PolarHBondContact O-N 3.32Å |
| 61 | E | 78.6 | Confident | 74.7 | Confident | 181 Ų | 181 | 102.9 Ų | 102.9 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -12.2 | 175.5 | -62.4 | 179.6 | 173.7 | 0 | 0 | 113.4 | F59 A64 | F59-E61 PolarHBondContact O-N 3.28Å; E61-A64 WeakPolarHBondContact O-CB 3.3Å; E61-A64 PolarHBondContact O-N 2.76Å; E61-A64 VanDerWaalsContact O-N 3.13Å |
| 62 | Q | 79.2 | Confident | 76.4 | Confident | 133 Ų | 133 | 102.5 Ų | 102.5 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -29.3 | -170.6 | -57.8 | 152.4 | 1.1 | 0 | 0 | 112.1 | F59 G60 L75 | F59-Q62 VanDerWaalsContact O-CB 3.26Å; F59-Q62 WeakPolarHBondContact O-CB 3.07Å; F59-Q62 PolarHBondContact O-N 3.09Å; G60-Q62 PolarHBondContact O-N 3.32Å; Q62-L75 HydrophobicContact CB-CD2 4.33Å |
| 63 | A | 76.5 | Confident | 78.1 | Confident | 31 Ų | 31 | 101.4 Ų | 101.4 | 26% | 0.256 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | 9.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F59 L75 | F59-A63 HydrophobicContact CB-CB 3.38Å; F59-A63 HydrophobicContact CD2-CB 4.23Å; F59-A63 HydrophobicContact CG-CB 3.96Å; A63-L75 HydrophobicContact CB-CD1 4.2Å |
| 64 | A | 80.7 | Confident | 79.5 | Confident | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | trans | -69.8 | 140.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E61 R67 | E61-A64 WeakPolarHBondContact O-CB 3.3Å; E61-A64 PolarHBondContact O-N 2.76Å; E61-A64 VanDerWaalsContact O-N 3.13Å; A64-R67 PolarHBondContact O-NH2 2.81Å; A64-R67 VanDerWaalsContact O-NH2 3.07Å | ||
| 65 | G | 84.3 | Confident | 80.8 | Confident | 70 Ų | 70 | 96.9 Ų | 96.9 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 84.3 | -165.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 66 | V | 86.6 | Confident | 81.9 | Confident | 145 Ų | 145 | 93.3 Ų | 93.3 | 88% | 0.879 | 51% | 0.509 | S | S | * | . | trans | -82.5 | 130.8 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 67 | R | 82.6 | Confident | 82.8 | Confident | 129 Ų | 129 | 89.7 Ų | 89.7 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | trans | -132.4 | 151.1 | 175.8 | -62.4 | -65.1 | 154 | 128.1 | 6.3 | 110.4 | A64 Q71 | A64-R67 PolarHBondContact O-NH2 2.81Å; A64-R67 VanDerWaalsContact O-NH2 3.07Å; R67-Q71 HydrophobicContact CB-CB 4.21Å | ||
| 68 | S | 91.8 | Very high | 83.9 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | trans | -70.8 | 156.1 | 169.5 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | S70 Q71 F72 | S68-S70 PolarHBondContact O-N 2.86Å; S68-S70 PolarHBondContact OG-OG 3.49Å; S68-Q71 PolarHBondContact O-N 3.16Å; S68-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 WeakPolarHBondContact OG-CB 3.49Å; S68-Q71 WeakPolarHBondContact OG-CG 3.41Å; S68-Q71 PolarHBondContact OG-N 3.36Å; S68-Q71 VanDerWaalsContact OG-N 3.12Å; S68-F72 PolarHBondContact O-N 3.18Å | ||
| 69 | L | 89.2 | Confident | 84.8 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -54.8 | -38 | 173.7 | 176.1 | 144.4 | 0 | 0 | 0 | 111.9 | F72 Q73 | L69-F72 PolarHBondContact O-N 3.4Å; L69-Q73 HydrophobicContact CD2-CG 4.4Å; L69-Q73 WeakPolarHBondContact O-CB 3.43Å; L69-Q73 WeakPolarHBondContact O-CG 3.34Å; L69-Q73 PolarHBondContact O-N 3.44Å |
| 70 | S | 92.3 | Very high | 85.7 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 53% | 0.531 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | S68 F72 A74 | S68-S70 PolarHBondContact O-N 2.86Å; S68-S70 PolarHBondContact OG-OG 3.49Å; S70-F72 VanDerWaalsContact C-N 3.34Å; S70-A74 PolarHBondContact O-N 2.85Å |
| 71 | Q | 89.2 | Confident | 86.3 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.6 | -73.7 | 163.8 | -2.5 | 0 | 0 | 111.2 | R67 S68 L75 | R67-Q71 HydrophobicContact CB-CB 4.21Å; S68-Q71 PolarHBondContact O-N 3.16Å; S68-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 WeakPolarHBondContact OG-CB 3.49Å; S68-Q71 WeakPolarHBondContact OG-CG 3.41Å; S68-Q71 PolarHBondContact OG-N 3.36Å; S68-Q71 VanDerWaalsContact OG-N 3.12Å; Q71-L75 WeakPolarHBondContact O-CG 3.37Å; Q71-L75 PolarHBondContact O-N 3.13Å |
| 72 | F | 88.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 176.4 | -174.9 | -105.6 | 0 | 0 | 0 | 112.1 | F59 S68 L69 S70 A74 L75 Q76 | F59-F72 AromaticContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CZ 4.27Å; F59-F72 AromaticContact CE2-CE2 3.59Å; F59-F72 HydrophobicContact CE2-CE2 3.59Å; F59-F72 AromaticContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CG-CE2 4.48Å; F59-F72 HydrophobicContact CZ-CE2 4.16Å; F59-F72 HydrophobicContact CZ-CZ 4.08Å; S68-F72 PolarHBondContact O-N 3.18Å; L69-F72 PolarHBondContact O-N 3.4Å; S70-F72 VanDerWaalsContact C-N 3.34Å; F72-A74 PolarHBondContact O-N 3.39Å; F72-L75 WeakPolarHBondContact O-CB 3.46Å; F72-L75 PolarHBondContact O-N 2.82Å; F72-L75 VanDerWaalsContact O-N 3.15Å; F72-Q76 HydrophobicContact CD1-CG 4.2Å; F72-Q76 HydrophobicContact CE1-CG 3.92Å; F72-Q76 VanDerWaalsContact CE1-NE2 3.26Å; F72-Q76 HydrophobicContact CZ-CG 4.25Å; F72-Q76 WeakPolarHBondContact O-CG 3.39Å; F72-Q76 PolarHBondContact O-N 2.75Å |
| 73 | Q | 91 | Very high | 87 | Confident | 96 Ų | 96 | 79.1 Ų | 79.1 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 173.3 | -77.1 | 173.1 | -32 | 0 | 0 | 111.8 | L69 L75 Q76 D77 | L69-Q73 HydrophobicContact CD2-CG 4.4Å; L69-Q73 WeakPolarHBondContact O-CB 3.43Å; L69-Q73 WeakPolarHBondContact O-CG 3.34Å; L69-Q73 PolarHBondContact O-N 3.44Å; Q73-L75 VanDerWaalsContact C-N 3.28Å; Q73-L75 PolarHBondContact O-N 2.82Å; Q73-Q76 WeakPolarHBondContact O-CB 3.32Å; Q73-Q76 PolarHBondContact O-N 3.29Å; Q73-D77 PolarHBondContact O-N 3.05Å |
| 74 | A | 89.9 | Confident | 87.5 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S70 F72 G78 | S70-A74 PolarHBondContact O-N 2.85Å; F72-A74 PolarHBondContact O-N 3.39Å; A74-G78 PolarHBondContact O-N 3.07Å |
| 75 | L | 88.4 | Confident | 87.8 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 25% | 0.251 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 172.6 | -69.3 | 173.2 | 0 | 0 | 0 | 112.1 | F59 Q62 A63 Q71 F72 Q73 E79 | F59-L75 HydrophobicContact CD1-CB 4.04Å; F59-L75 HydrophobicContact CE1-CB 4.39Å; Q62-L75 HydrophobicContact CB-CD2 4.33Å; A63-L75 HydrophobicContact CB-CD1 4.2Å; Q71-L75 WeakPolarHBondContact O-CG 3.37Å; Q71-L75 PolarHBondContact O-N 3.13Å; F72-L75 WeakPolarHBondContact O-CB 3.46Å; F72-L75 PolarHBondContact O-N 2.82Å; F72-L75 VanDerWaalsContact O-N 3.15Å; Q73-L75 VanDerWaalsContact C-N 3.28Å; Q73-L75 PolarHBondContact O-N 2.82Å; L75-E79 WeakPolarHBondContact O-CB 3.32Å; L75-E79 PolarHBondContact O-N 3.27Å |
| 76 | Q | 86.8 | Confident | 88 | Confident | 69 Ų | 69 | 79.2 Ų | 79.2 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.6 | -63.9 | -152.1 | -34.5 | 0 | 0 | 112.4 | F59 F72 Q73 E79 K80 | F59-Q76 HydrophobicContact CE1-CG 4.04Å; F59-Q76 HydrophobicContact CZ-CG 3.76Å; F72-Q76 HydrophobicContact CD1-CG 4.2Å; F72-Q76 HydrophobicContact CE1-CG 3.92Å; F72-Q76 VanDerWaalsContact CE1-NE2 3.26Å; F72-Q76 HydrophobicContact CZ-CG 4.25Å; F72-Q76 WeakPolarHBondContact O-CG 3.39Å; F72-Q76 PolarHBondContact O-N 2.75Å; Q73-Q76 WeakPolarHBondContact O-CB 3.32Å; Q73-Q76 PolarHBondContact O-N 3.29Å; Q76-E79 PolarHBondContact O-N 3.42Å; Q76-K80 VanDerWaalsContact O-CG 3.25Å; Q76-K80 WeakPolarHBondContact O-CG 3.43Å; Q76-K80 PolarHBondContact O-N 3.36Å |
| 77 | D | 88.3 | Confident | 87.9 | Confident | 76 Ų | 76 | 78 Ų | 78 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.9 | -39.7 | -177 | -63.5 | -30.2 | 0 | 0 | 0 | 110.8 | Q73 E79 K80 E81 | Q73-D77 PolarHBondContact O-N 3.05Å; D77-E79 PolarHBondContact O-N 3.03Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 IonicContact OD1-NZ 2.78Å; D77-K80 PolarHBondContact OD1-NZ 3.27Å; D77-E81 WeakPolarHBondContact O-CG 3.5Å; D77-E81 PolarHBondContact O-N 3.2Å |
| 78 | G | 88.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114 | A74 E81 L82 | A74-G78 PolarHBondContact O-N 3.07Å; G78-E81 PolarHBondContact O-N 3.03Å; G78-L82 WeakPolarHBondContact O-CB 3.35Å; G78-L82 WeakPolarHBondContact O-CG 3.48Å; G78-L82 PolarHBondContact O-N 2.89Å |
| 79 | E | 86.2 | Confident | 87.5 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 174.2 | -172.6 | 176.2 | -129 | 0 | 0 | 111.7 | Y56 F59 L75 Q76 D77 E81 L82 V83 | Y56-E79 PolarHBondContact OH-OE2 3.36Å; F59-E79 HydrophobicContact CE1-CB 4.33Å; F59-E79 VanDerWaalsContact CE1-OE2 3.26Å; F59-E79 WeakPolarHBondContact CE1-OE2 3.41Å; L75-E79 WeakPolarHBondContact O-CB 3.32Å; L75-E79 PolarHBondContact O-N 3.27Å; Q76-E79 PolarHBondContact O-N 3.42Å; D77-E79 PolarHBondContact O-N 3.03Å; E79-E81 PolarHBondContact O-N 3.04Å; E79-L82 PolarHBondContact O-N 3.34Å; E79-V83 HydrophobicContact CG-CG2 4.49Å; E79-V83 WeakPolarHBondContact O-CG2 3.3Å; E79-V83 PolarHBondContact O-N 3.44Å |
| 80 | K | 87.1 | Confident | 87.3 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 173.8 | -68.4 | 163.7 | -155 | 161.9 | 0 | 111.7 | Q76 D77 V83 A84 | Q76-K80 VanDerWaalsContact O-CG 3.25Å; Q76-K80 WeakPolarHBondContact O-CG 3.43Å; Q76-K80 PolarHBondContact O-N 3.36Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 IonicContact OD1-NZ 2.78Å; D77-K80 PolarHBondContact OD1-NZ 3.27Å; K80-V83 PolarHBondContact O-N 3.01Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.47Å; K80-A84 PolarHBondContact O-N 3.36Å |
| 81 | E | 87.8 | Confident | 87.1 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 176 | -74.1 | -178 | -171.9 | 0 | 0 | 111.8 | D77 G78 E79 A84 L85 | D77-E81 WeakPolarHBondContact O-CG 3.5Å; D77-E81 PolarHBondContact O-N 3.2Å; G78-E81 PolarHBondContact O-N 3.03Å; E79-E81 PolarHBondContact O-N 3.04Å; E81-A84 PolarHBondContact O-N 3.08Å; E81-L85 VanDerWaalsContact O-CG 3.25Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 3.13Å |
| 82 | L | 86.6 | Confident | 87 | Confident | 65 Ų | 65 | 68.7 Ų | 68.7 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 175.7 | -80.6 | 171.9 | 0 | 0 | 0 | 112.4 | G78 E79 L85 Q86 I95 Q99 | G78-L82 WeakPolarHBondContact O-CB 3.35Å; G78-L82 WeakPolarHBondContact O-CG 3.48Å; G78-L82 PolarHBondContact O-N 2.89Å; E79-L82 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 3.03Å; L82-Q86 WeakPolarHBondContact O-CG 3.47Å; L82-Q86 PolarHBondContact O-N 3.32Å; L82-I95 HydrophobicContact CD2-CG2 3.62Å; L82-Q99 VanDerWaalsContact CD2-NE2 3.32Å |
| 83 | V | 85.9 | Confident | 86.8 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.8 | 172 | 0 | 0 | 0 | 0 | 110.7 | E79 K80 L85 Q86 E87 | E79-V83 HydrophobicContact CG-CG2 4.49Å; E79-V83 WeakPolarHBondContact O-CG2 3.3Å; E79-V83 PolarHBondContact O-N 3.44Å; K80-V83 PolarHBondContact O-N 3.01Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 2.96Å; V83-Q86 PolarHBondContact O-N 2.96Å; V83-Q86 VanDerWaalsContact O-N 3.09Å; V83-E87 HydrophobicContact CG1-CG 4.29Å; V83-E87 WeakPolarHBondContact O-CB 3.4Å; V83-E87 WeakPolarHBondContact O-CG 3.48Å; V83-E87 PolarHBondContact O-N 3.48Å |
| 84 | A | 87.1 | Confident | 86.7 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K80 E81 L88 R135 | K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.47Å; K80-A84 PolarHBondContact O-N 3.36Å; E81-A84 PolarHBondContact O-N 3.08Å; A84-L88 WeakPolarHBondContact O-CD1 3.24Å; A84-L88 WeakPolarHBondContact O-CG 3.2Å; A84-L88 PolarHBondContact O-N 3.28Å; A84-R135 PolarHBondContact O-NH1 3.01Å |
| 85 | L | 87.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.9 | -33.3 | 174 | -67.7 | 169.2 | 0 | 0 | 0 | 112.9 | E81 L82 V83 L88 L90 I95 I132 | E81-L85 VanDerWaalsContact O-CG 3.25Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 3.13Å; L82-L85 PolarHBondContact O-N 3.03Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 2.96Å; L85-L88 HydrophobicContact CD2-CD1 4.1Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 PolarHBondContact O-N 3.32Å; L85-L90 HydrophobicContact CB-CD1 4.03Å; L85-L90 HydrophobicContact CD2-CD1 3.56Å; L85-L90 HydrophobicContact CG-CD1 4.38Å; L85-L90 VanDerWaalsContact O-CB 3.3Å; L85-L90 WeakPolarHBondContact O-CB 3.06Å; L85-L90 WeakPolarHBondContact O-CG 3.45Å; L85-L90 PolarHBondContact O-N 3.46Å; L85-I95 HydrophobicContact CB-CD1 4.07Å; L85-I95 HydrophobicContact CB-CG1 4.04Å; L85-I95 HydrophobicContact CD1-CG2 4.13Å; L85-I132 HydrophobicContact CD2-CD1 4.48Å |
| 86 | Q | 86.6 | Confident | 86.6 | Confident | 103 Ų | 103 | 66.2 Ų | 66.2 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 173.2 | -72.9 | 178.7 | -16.8 | 0 | 0 | 112.1 | L82 V83 L88 G89 I95 | L82-Q86 WeakPolarHBondContact O-CG 3.47Å; L82-Q86 PolarHBondContact O-N 3.32Å; V83-Q86 PolarHBondContact O-N 2.96Å; V83-Q86 VanDerWaalsContact O-N 3.09Å; Q86-L88 PolarHBondContact O-N 2.63Å; Q86-G89 WeakPolarHBondContact O-CA 3.45Å; Q86-G89 PolarHBondContact O-N 2.94Å; Q86-I95 HydrophobicContact CG-CD1 3.63Å |
| 87 | E | 84.5 | Confident | 86.6 | Confident | 120 Ų | 120 | 64.6 Ų | 64.6 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.5 | -24.1 | 173.1 | -72.7 | 177.8 | 169.2 | 0 | 0 | 113.3 | V83 G89 R135 | V83-E87 HydrophobicContact CG1-CG 4.29Å; V83-E87 WeakPolarHBondContact O-CB 3.4Å; V83-E87 WeakPolarHBondContact O-CG 3.48Å; V83-E87 PolarHBondContact O-N 3.48Å; E87-G89 PolarHBondContact O-N 2.88Å; E87-R135 VanDerWaalsContact CB-NH1 3.29Å; E87-R135 IonicContact OE2-CZ 2.82Å; E87-R135 IonicContact OE2-NH1 3.72Å; E87-R135 PolarHBondContact OE2-NH1 3.15Å; E87-R135 VanDerWaalsContact OE2-NH1 3.13Å; E87-R135 IonicContact OE2-NH2 3.04Å; E87-R135 PolarHBondContact OE2-NH2 2.89Å |
| 88 | L | 83.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.9 | 169.3 | -85.1 | 158.3 | 0 | 0 | 0 | 113.5 | A84 L85 Q86 L90 K131 I132 R135 | A84-L88 WeakPolarHBondContact O-CD1 3.24Å; A84-L88 WeakPolarHBondContact O-CG 3.2Å; A84-L88 PolarHBondContact O-N 3.28Å; L85-L88 HydrophobicContact CD2-CD1 4.1Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 PolarHBondContact O-N 3.32Å; Q86-L88 PolarHBondContact O-N 2.63Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 HydrophobicContact CB-CD1 4.24Å; L88-L90 HydrophobicContact CB-CG 4.06Å; L88-K131 WeakPolarHBondContact CD2-O 3.41Å; L88-I132 HydrophobicContact CD1-CG1 3.67Å; L88-I132 HydrophobicContact CD2-CG1 4.35Å; L88-R135 HydrophobicContact CD2-CB 3.39Å; L88-R135 HydrophobicContact CD2-CG 3.96Å |
| 89 | G | 82.2 | Confident | 86.6 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 56% | 0.557 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 28.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q86 E87 | Q86-G89 WeakPolarHBondContact O-CA 3.45Å; Q86-G89 PolarHBondContact O-N 2.94Å; E87-G89 PolarHBondContact O-N 2.88Å |
| 90 | L | 86 | Confident | 86.5 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | trans | -81.2 | 137.7 | 172.1 | -60.1 | 172.4 | 0 | 0 | 0 | 110.2 | L85 L88 E94 I95 I128 K131 | L85-L90 HydrophobicContact CB-CD1 4.03Å; L85-L90 HydrophobicContact CD2-CD1 3.56Å; L85-L90 HydrophobicContact CG-CD1 4.38Å; L85-L90 VanDerWaalsContact O-CB 3.3Å; L85-L90 WeakPolarHBondContact O-CB 3.06Å; L85-L90 WeakPolarHBondContact O-CG 3.45Å; L85-L90 PolarHBondContact O-N 3.46Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 HydrophobicContact CB-CD1 4.24Å; L88-L90 HydrophobicContact CB-CG 4.06Å; L90-E94 HydrophobicContact CB-CB 4.24Å; L90-E94 HydrophobicContact CD2-CB 4.24Å; L90-I95 HydrophobicContact CB-CD1 4.22Å; L90-I95 HydrophobicContact CB-CG1 3.7Å; L90-I95 HydrophobicContact CD1-CG1 4.5Å; L90-I128 HydrophobicContact CD1-CG2 3.95Å; L90-I128 HydrophobicContact CD2-CB 4.48Å; L90-I128 HydrophobicContact CD2-CG1 4.06Å; L90-I128 HydrophobicContact CD2-CG2 4.12Å; L90-K131 HydrophobicContact CD2-CD 3.41Å; L90-K131 VanDerWaalsContact CD2-CD 3.41Å | ||
| 91 | T | 87.8 | Confident | 86.4 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | trans | -74.6 | 154.1 | 171.2 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | A93 E94 I95 | T91-A93 PolarHBondContact O-N 2.73Å; T91-E94 PolarHBondContact N-OE2 3.4Å; T91-E94 WeakPolarHBondContact O-CA 3.4Å; T91-E94 WeakPolarHBondContact O-CB 3.45Å; T91-E94 PolarHBondContact O-N 2.66Å; T91-E94 VanDerWaalsContact OG1-CG 3.32Å; T91-E94 WeakPolarHBondContact OG1-CG 3.26Å; T91-E94 PolarHBondContact OG1-N 3.27Å; T91-E94 PolarHBondContact OG1-OE2 3.48Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 3.07Å | ||
| 92 | D | 86.6 | Confident | 85.8 | Confident | 107 Ų | 107 | 67.8 Ų | 67.8 | 57% | 0.572 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -54.7 | -32.6 | -179.6 | -58.7 | -45.4 | 0 | 0 | 0 | 112.9 | I95 Q96 | D92-I95 PolarHBondContact O-N 2.94Å; D92-Q96 WeakPolarHBondContact O-CB 3.28Å; D92-Q96 VanDerWaalsContact O-CG 3.26Å; D92-Q96 WeakPolarHBondContact O-CG 3.46Å; D92-Q96 PolarHBondContact O-N 3.39Å |
| 93 | A | 85.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.5 | -35.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T91 L97 | T91-A93 PolarHBondContact O-N 2.73Å; A93-L97 WeakPolarHBondContact O-CB 3.11Å; A93-L97 PolarHBondContact O-N 2.76Å; A93-L97 VanDerWaalsContact O-N 3.13Å |
| 94 | E | 89 | Confident | 84.3 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 170.9 | -72.7 | 168 | 122.1 | 0 | 0 | 111 | L90 T91 L97 W98 I128 K131 | L90-E94 HydrophobicContact CB-CB 4.24Å; L90-E94 HydrophobicContact CD2-CB 4.24Å; T91-E94 PolarHBondContact N-OE2 3.4Å; T91-E94 WeakPolarHBondContact O-CA 3.4Å; T91-E94 WeakPolarHBondContact O-CB 3.45Å; T91-E94 PolarHBondContact O-N 2.66Å; T91-E94 VanDerWaalsContact OG1-CG 3.32Å; T91-E94 WeakPolarHBondContact OG1-CG 3.26Å; T91-E94 PolarHBondContact OG1-N 3.27Å; T91-E94 PolarHBondContact OG1-OE2 3.48Å; E94-L97 PolarHBondContact O-N 3.47Å; E94-W98 WeakPolarHBondContact O-CB 3.2Å; E94-W98 PolarHBondContact O-N 2.76Å; E94-I128 HydrophobicContact CB-CD1 3.9Å; E94-I128 HydrophobicContact CB-CG1 4.23Å; E94-I128 HydrophobicContact CG-CD1 4.32Å; E94-I128 HydrophobicContact CG-CG1 4.45Å; E94-I128 WeakPolarHBondContact O-CD1 3.4Å; E94-K131 IonicContact OE1-NZ 2.69Å; E94-K131 PolarHBondContact OE1-NZ 2.96Å; E94-K131 IonicContact OE2-NZ 2.66Å; E94-K131 PolarHBondContact OE2-NZ 3.47Å |
| 95 | I | 87.9 | Confident | 83 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.026 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.7 | -63.9 | 177.5 | 0 | 0 | 0 | 110.8 | L82 L85 Q86 L90 T91 D92 L97 W98 Q99 | L82-I95 HydrophobicContact CD2-CG2 3.62Å; L85-I95 HydrophobicContact CB-CD1 4.07Å; L85-I95 HydrophobicContact CB-CG1 4.04Å; L85-I95 HydrophobicContact CD1-CG2 4.13Å; Q86-I95 HydrophobicContact CG-CD1 3.63Å; L90-I95 HydrophobicContact CB-CD1 4.22Å; L90-I95 HydrophobicContact CB-CG1 3.7Å; L90-I95 HydrophobicContact CD1-CG1 4.5Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 3.07Å; D92-I95 PolarHBondContact O-N 2.94Å; I95-L97 VanDerWaalsContact C-N 3.31Å; I95-L97 PolarHBondContact O-N 2.91Å; I95-W98 WeakPolarHBondContact O-CB 2.92Å; I95-W98 PolarHBondContact O-N 2.73Å; I95-W98 VanDerWaalsContact O-N 3.17Å; I95-Q99 WeakPolarHBondContact O-CG 3.39Å; I95-Q99 PolarHBondContact O-N 3.5Å |
| 96 | Q | 87.5 | Confident | 81.5 | Confident | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.542 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 174.9 | -73.4 | 172.2 | 8.4 | 0 | 0 | 112.2 | D92 W98 N100 | D92-Q96 WeakPolarHBondContact O-CB 3.28Å; D92-Q96 VanDerWaalsContact O-CG 3.26Å; D92-Q96 WeakPolarHBondContact O-CG 3.46Å; D92-Q96 PolarHBondContact O-N 3.39Å; Q96-W98 VanDerWaalsContact C-N 3.34Å; Q96-N100 WeakPolarHBondContact O-CB 3.4Å; Q96-N100 PolarHBondContact O-N 2.93Å; Q96-N100 VanDerWaalsContact O-N 3.1Å; Q96-N100 PolarHBondContact O-ND2 2.87Å |
| 97 | L | 87.1 | Confident | 79.7 | Confident | 35 Ų | 35 | 81 Ų | 81 | 18% | 0.183 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69 | -32.5 | 176.6 | 179.7 | 147.1 | 0 | 0 | 0 | 112.1 | A93 E94 I95 N100 R101 R124 L125 I128 | A93-L97 WeakPolarHBondContact O-CB 3.11Å; A93-L97 PolarHBondContact O-N 2.76Å; A93-L97 VanDerWaalsContact O-N 3.13Å; E94-L97 PolarHBondContact O-N 3.47Å; I95-L97 VanDerWaalsContact C-N 3.31Å; I95-L97 PolarHBondContact O-N 2.91Å; L97-N100 CarbonylContact O-C 3.59Å; L97-R101 PolarHBondContact O-N 3.35Å; L97-R124 HydrophobicContact CD1-CB 4.19Å; L97-R124 HydrophobicContact CD2-CB 4.11Å; L97-L125 HydrophobicContact CD2-CD2 3.59Å; L97-L125 HydrophobicContact CD2-CG 3.79Å; L97-I128 HydrophobicContact CD2-CD1 3.62Å |
| 98 | W | 88.6 | Confident | 78 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -71.8 | -42.7 | 174.5 | -176.3 | -111.1 | 0 | 0 | 0 | 112.9 | E94 I95 Q96 N100 R101 L125 I128 R129 I132 | E94-W98 WeakPolarHBondContact O-CB 3.2Å; E94-W98 PolarHBondContact O-N 2.76Å; I95-W98 WeakPolarHBondContact O-CB 2.92Å; I95-W98 PolarHBondContact O-N 2.73Å; I95-W98 VanDerWaalsContact O-N 3.17Å; Q96-W98 VanDerWaalsContact C-N 3.34Å; W98-N100 VanDerWaalsContact C-N 3.3Å; W98-N100 PolarHBondContact O-N 3.48Å; W98-R101 VanDerWaalsContact O-CB 3.26Å; W98-R101 WeakPolarHBondContact O-CB 3.36Å; W98-R101 WeakPolarHBondContact O-CD 3.47Å; W98-R101 VanDerWaalsContact O-CG 3.28Å; W98-R101 WeakPolarHBondContact O-CG 3.3Å; W98-R101 PolarHBondContact O-N 2.92Å; W98-L125 HydrophobicContact CE3-CD2 3.97Å; W98-L125 HydrophobicContact CZ3-CD2 4.45Å; W98-I128 HydrophobicContact CB-CD1 4.38Å; W98-I128 HydrophobicContact CB-CG2 4.3Å; W98-I128 HydrophobicContact CD2-CG2 3.68Å; W98-I128 HydrophobicContact CE3-CB 4Å; W98-I128 HydrophobicContact CE3-CG2 3.41Å; W98-I128 VanDerWaalsContact CE3-CG2 3.41Å; W98-I128 HydrophobicContact CG-CG2 4.09Å; W98-I128 HydrophobicContact CZ3-CB 4.36Å; W98-I128 HydrophobicContact CZ3-CG2 3.95Å; W98-R129 HydrophobicContact CH2-CG 3.72Å; W98-R129 HydrophobicContact CZ3-CG 3.71Å; W98-I132 HydrophobicContact CD2-CD1 4.35Å; W98-I132 HydrophobicContact CH2-CD1 3.77Å; W98-I132 HydrophobicContact CZ2-CD1 3.38Å; W98-I132 HydrophobicContact CZ3-CD1 4.39Å |
| 99 | Q | 87.2 | Confident | 76 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 174.6 | -72.8 | 176.1 | -24.1 | 0 | 0 | 111.5 | L82 I95 R101 | L82-Q99 VanDerWaalsContact CD2-NE2 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.39Å; I95-Q99 PolarHBondContact O-N 3.5Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.82Å |
| 100 | N | 84.3 | Confident | 74.5 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 25.4 | 178.1 | -63.8 | -59.3 | 0 | 0 | 0 | 113.5 | Q96 L97 W98 A103 R121 | Q96-N100 WeakPolarHBondContact O-CB 3.4Å; Q96-N100 PolarHBondContact O-N 2.93Å; Q96-N100 VanDerWaalsContact O-N 3.1Å; Q96-N100 PolarHBondContact O-ND2 2.87Å; L97-N100 CarbonylContact O-C 3.59Å; W98-N100 VanDerWaalsContact C-N 3.3Å; W98-N100 PolarHBondContact O-N 3.48Å; N100-A103 HydrophobicContact CB-CB 4.31Å; N100-R121 PolarHBondContact O-NH2 2.93Å |
| 101 | R | 85.1 | Confident | 72.8 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 42% | 0.415 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.3 | -179.8 | 73.2 | -169.6 | -179.9 | -140.3 | -10 | 113.3 | L97 W98 Q99 L125 | L97-R101 PolarHBondContact O-N 3.35Å; W98-R101 VanDerWaalsContact O-CB 3.26Å; W98-R101 WeakPolarHBondContact O-CB 3.36Å; W98-R101 WeakPolarHBondContact O-CD 3.47Å; W98-R101 VanDerWaalsContact O-CG 3.28Å; W98-R101 WeakPolarHBondContact O-CG 3.3Å; W98-R101 PolarHBondContact O-N 2.92Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.82Å; R101-L125 HydrophobicContact CB-CD1 4.29Å; R101-L125 HydrophobicContact CB-CD2 3.65Å |
| 102 | D | 74.4 | Confident | 70.9 | Confident | 124 Ų | 124 | 95.4 Ų | 95.4 | 66% | 0.663 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -99.1 | -2.7 | -175.2 | -59.3 | -51.2 | 0 | 0 | 0 | 112.2 | ||
| 103 | A | 76.7 | Confident | 69.1 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 35% | 0.347 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -68 | 121.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N100 R121 | N100-A103 HydrophobicContact CB-CB 4.31Å; A103-R121 PolarHBondContact O-NH2 2.94Å |
| 104 | P | 65.2 | Low | 67.6 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 67% | 0.669 | 56% | 0.563 | S | S | * | * | trans | -64.8 | 145.8 | 177.9 | 27.8 | -34.4 | 0 | 0 | 0 | 110.4 | M106 | P104-M106 HydrophobicContact CB-CB 4.5Å; P104-M106 HydrophobicContact CB-CG 4.23Å; P104-M106 PolarHBondContact O-N 2.76Å | ||
| 105 | D | 60.6 | Low | 66.2 | Low | 137 Ų | 137 | 100.7 Ų | 100.7 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | trans | -72.9 | 55.9 | 175.9 | -74.1 | -37.1 | 0 | 0 | 0 | 112 | R121 | D105-R121 IonicContact OD1-CZ 2.67Å; D105-R121 IonicContact OD1-NH1 3.77Å; D105-R121 PolarHBondContact OD1-NH1 2.69Å; D105-R121 IonicContact OD2-NH1 3.7Å; D105-R121 PolarHBondContact OD2-NH1 2.91Å; D105-R121 VanDerWaalsContact OD2-NH1 3.14Å | ||
| 106 | M | 55.7 | Low | 65.1 | Low | 154 Ų | 154 | 103.1 Ų | 103.1 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | trans | -112.7 | 114.5 | -175.8 | -78.9 | -65.6 | -167.4 | 0 | 0 | 111.3 | P104 | P104-M106 HydrophobicContact CB-CB 4.5Å; P104-M106 HydrophobicContact CB-CG 4.23Å; P104-M106 PolarHBondContact O-N 2.76Å | ||
| 107 | S | 48 | Very low | 64.5 | Low | 124 Ų | 124 | 100.4 Ų | 100.4 | 87% | 0.867 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 75.5 | 131.7 | 175.4 | 77.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 108 | G | 49.6 | Very low | 64.2 | Low | 71 Ų | 71 | 102.5 Ų | 102.5 | 73% | 0.732 | 63% | 0.626 | S | S | * | * | trans | -78.6 | 122.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | K110 | G108-K110 PolarHBondContact O-N 2.83Š| ||
| 109 | D | 41.4 | Very low | 63.9 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | trans | -66.2 | 121.9 | 161.6 | -166.9 | -23.6 | 0 | 0 | 0 | 109 | S111 | D109-S111 VanDerWaalsContact CG-OG 3.23Å; D109-S111 PolarHBondContact O-N 3.45Å; D109-S111 PolarHBondContact OD1-OG 3.04Å | ||
| 110 | K | 49.9 | Very low | 63.7 | Low | 219 Ų | 219 | 101.4 Ų | 101.4 | 95% | 0.952 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 21.3 | -169.4 | -67.3 | -177.5 | 176.8 | 176.9 | 0 | 113.7 | G108 | G108-K110 PolarHBondContact O-N 2.83Š|
| 111 | S | 50 | Low | 63.8 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -14 | -167.1 | 59 | 0 | 0 | 0 | 0 | 115.4 | D109 | D109-S111 VanDerWaalsContact CG-OG 3.23Å; D109-S111 PolarHBondContact O-N 3.45Å; D109-S111 PolarHBondContact OD1-OG 3.04Å |
| 112 | S | 47.8 | Very low | 63.9 | Low | 84 Ų | 84 | 102.2 Ų | 102.2 | 59% | 0.587 | 63% | 0.627 | S | S | * | * | trans | -141.4 | 106.4 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | V114 | S112-V114 PolarHBondContact O-N 3.5Š| ||
| 113 | G | 49.3 | Very low | 64.7 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 91% | 0.907 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -73.6 | 11.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 114 | V | 54.8 | Low | 65.3 | Low | 125 Ų | 125 | 108 Ų | 108 | 76% | 0.758 | 64% | 0.636 | S | S | * | * | trans | -141.6 | 95.8 | 176.1 | -174 | 0 | 0 | 0 | 0 | 109.8 | S112 A116 | S112-V114 PolarHBondContact O-N 3.5Å; V114-A116 PolarHBondContact O-N 3.05Å | ||
| 115 | C | 58.8 | Low | 66.5 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.5 | 164.6 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 116 | A | 65.4 | Low | 68 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 142.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V114 | V114-A116 PolarHBondContact O-N 3.05Š|
| 117 | A | 74.9 | Confident | 69.6 | Low | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 143.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D119 A120 R121 | A117-D119 PolarHBondContact O-N 3.07Å; A117-D119 VanDerWaalsContact O-N 3.1Å; A117-A120 HydrophobicContact CB-CB 4.45Å; A117-A120 WeakPolarHBondContact O-CA 3.49Å; A117-A120 WeakPolarHBondContact O-CB 3.45Å; A117-A120 PolarHBondContact O-N 3.24Å; A117-R121 PolarHBondContact O-N 3.25Å; A117-R121 VanDerWaalsContact O-N 3.14Å |
| 118 | P | 80.8 | Confident | 71.7 | Confident | 79 Ų | 79 | 90.3 Ų | 90.3 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.7 | -34.4 | -174.5 | 21.3 | -33.2 | 0 | 0 | 0 | 112.4 | R121 R122 | P118-R121 PolarHBondContact O-N 3.38Å; P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 3.17Å |
| 119 | D | 82.4 | Confident | 73.7 | Confident | 86 Ų | 86 | 93 Ų | 93 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.3 | -31.6 | 176.9 | -56.6 | -44.1 | 0 | 0 | 0 | 113 | A117 R122 Q123 | A117-D119 PolarHBondContact O-N 3.07Å; A117-D119 VanDerWaalsContact O-N 3.1Å; D119-R122 PolarHBondContact O-N 3.28Å; D119-R122 IonicContact OD1-CZ 3.14Å; D119-R122 IonicContact OD1-NH1 2.62Å; D119-R122 PolarHBondContact OD1-NH1 3.03Å; D119-Q123 WeakPolarHBondContact O-CB 3.38Å; D119-Q123 VanDerWaalsContact O-CG 3.24Å; D119-Q123 WeakPolarHBondContact O-CG 3.25Å; D119-Q123 PolarHBondContact O-N 2.82Å |
| 120 | A | 83.3 | Confident | 76.1 | Confident | 32 Ų | 32 | 90.3 Ų | 90.3 | 26% | 0.264 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A117 R124 | A117-A120 HydrophobicContact CB-CB 4.45Å; A117-A120 WeakPolarHBondContact O-CA 3.49Å; A117-A120 WeakPolarHBondContact O-CB 3.45Å; A117-A120 PolarHBondContact O-N 3.24Å; A120-R124 VanDerWaalsContact O-CG 3.32Å; A120-R124 WeakPolarHBondContact O-CG 3.42Å; A120-R124 PolarHBondContact O-N 3.06Å; A120-R124 VanDerWaalsContact O-N 3.12Å |
| 121 | R | 85 | Confident | 78.1 | Confident | 55 Ų | 55 | 83.5 Ų | 83.5 | 21% | 0.208 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 170.8 | -177.3 | -179.3 | 175.8 | -168.8 | 4.3 | 111.1 | N100 A103 D105 A117 P118 R124 L125 | N100-R121 PolarHBondContact O-NH2 2.93Å; A103-R121 PolarHBondContact O-NH2 2.94Å; D105-R121 IonicContact OD1-CZ 2.67Å; D105-R121 IonicContact OD1-NH1 3.77Å; D105-R121 PolarHBondContact OD1-NH1 2.69Å; D105-R121 IonicContact OD2-NH1 3.7Å; D105-R121 PolarHBondContact OD2-NH1 2.91Å; D105-R121 VanDerWaalsContact OD2-NH1 3.14Å; A117-R121 PolarHBondContact O-N 3.25Å; A117-R121 VanDerWaalsContact O-N 3.14Å; P118-R121 PolarHBondContact O-N 3.38Å; R121-R124 PolarHBondContact O-N 3.15Å; R121-L125 HydrophobicContact CG-CD1 4.34Å; R121-L125 PolarHBondContact O-N 2.97Å |
| 122 | R | 88.1 | Confident | 80 | Confident | 162 Ų | 162 | 81.5 Ų | 81.5 | 61% | 0.611 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 176.4 | -71.6 | 166.4 | 177.1 | 168.3 | -6.4 | 112.2 | P118 D119 R124 L125 Q126 | P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 3.17Å; D119-R122 PolarHBondContact O-N 3.28Å; D119-R122 IonicContact OD1-CZ 3.14Å; D119-R122 IonicContact OD1-NH1 2.62Å; D119-R122 PolarHBondContact OD1-NH1 3.03Å; R122-R124 PolarHBondContact O-N 2.95Å; R122-L125 PolarHBondContact O-N 2.94Å; R122-Q126 PolarHBondContact O-N 3.5Å |
| 123 | Q | 90.4 | Very high | 82.1 | Confident | 138 Ų | 138 | 84 Ų | 84 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 176 | -74.3 | 169.1 | 5.9 | 0 | 0 | 112.2 | D119 Q126 A127 | D119-Q123 WeakPolarHBondContact O-CB 3.38Å; D119-Q123 VanDerWaalsContact O-CG 3.24Å; D119-Q123 WeakPolarHBondContact O-CG 3.25Å; D119-Q123 PolarHBondContact O-N 2.82Å; Q123-Q126 PolarHBondContact O-N 3.27Å; Q123-A127 PolarHBondContact O-N 3.38Å |
| 124 | R | 89.3 | Confident | 83.9 | Confident | 149 Ų | 149 | 82 Ų | 82 | 56% | 0.562 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 174.8 | -72.4 | 174.6 | -176.4 | -171.8 | 0.9 | 112.2 | L97 A120 R121 R122 Q126 A127 I128 | L97-R124 HydrophobicContact CD1-CB 4.19Å; L97-R124 HydrophobicContact CD2-CB 4.11Å; A120-R124 VanDerWaalsContact O-CG 3.32Å; A120-R124 WeakPolarHBondContact O-CG 3.42Å; A120-R124 PolarHBondContact O-N 3.06Å; A120-R124 VanDerWaalsContact O-N 3.12Å; R121-R124 PolarHBondContact O-N 3.15Å; R122-R124 PolarHBondContact O-N 2.95Å; R124-Q126 VanDerWaalsContact C-N 3.3Å; R124-Q126 PolarHBondContact O-N 3.16Å; R124-A127 PolarHBondContact O-N 3Å; R124-I128 VanDerWaalsContact O-CG1 3.29Å; R124-I128 WeakPolarHBondContact O-CG1 3.19Å; R124-I128 PolarHBondContact O-N 3.25Å; R124-I128 VanDerWaalsContact O-N 3.1Å |
| 125 | L | 90.2 | Very high | 85.4 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 174.2 | -76.7 | 171.5 | 0 | 0 | 0 | 112.2 | L97 W98 R101 R121 R122 I128 R129 | L97-L125 HydrophobicContact CD2-CD2 3.59Å; L97-L125 HydrophobicContact CD2-CG 3.79Å; W98-L125 HydrophobicContact CE3-CD2 3.97Å; W98-L125 HydrophobicContact CZ3-CD2 4.45Å; R101-L125 HydrophobicContact CB-CD1 4.29Å; R101-L125 HydrophobicContact CB-CD2 3.65Å; R121-L125 HydrophobicContact CG-CD1 4.34Å; R121-L125 PolarHBondContact O-N 2.97Å; R122-L125 PolarHBondContact O-N 2.94Å; L125-I128 PolarHBondContact O-N 3.31Å; L125-R129 WeakPolarHBondContact O-CG 3.47Å; L125-R129 PolarHBondContact O-N 2.91Å; L125-R129 VanDerWaalsContact O-N 3.08Å |
| 126 | Q | 92.1 | Very high | 86.6 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 176.2 | -169.6 | 58.7 | 39.7 | 0 | 0 | 111.2 | R122 Q123 R124 I128 R129 D130 | R122-Q126 PolarHBondContact O-N 3.5Å; Q123-Q126 PolarHBondContact O-N 3.27Å; R124-Q126 VanDerWaalsContact C-N 3.3Å; R124-Q126 PolarHBondContact O-N 3.16Å; Q126-I128 PolarHBondContact O-N 3.18Å; Q126-I128 VanDerWaalsContact O-N 3.13Å; Q126-R129 CarbonylContact O-C 3.58Å; Q126-R129 WeakPolarHBondContact O-CA 3.34Å; Q126-R129 WeakPolarHBondContact O-CB 3.46Å; Q126-R129 PolarHBondContact O-N 3.28Å; Q126-D130 PolarHBondContact NE2-OD1 3.38Å; Q126-D130 PolarHBondContact O-N 3Å |
| 127 | A | 90.8 | Very high | 87.7 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 35% | 0.347 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58 | -30.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q123 R124 K131 | Q123-A127 PolarHBondContact O-N 3.38Å; R124-A127 PolarHBondContact O-N 3Å; A127-K131 WeakPolarHBondContact O-CG 3.33Å; A127-K131 PolarHBondContact O-N 2.98Å; A127-K131 VanDerWaalsContact O-N 3.14Å |
| 128 | I | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72 | -40.1 | 172.9 | -64.1 | 163.3 | 0 | 0 | 0 | 111.2 | L90 E94 L97 W98 R124 L125 Q126 K131 I132 | L90-I128 HydrophobicContact CD1-CG2 3.95Å; L90-I128 HydrophobicContact CD2-CB 4.48Å; L90-I128 HydrophobicContact CD2-CG1 4.06Å; L90-I128 HydrophobicContact CD2-CG2 4.12Å; E94-I128 HydrophobicContact CB-CD1 3.9Å; E94-I128 HydrophobicContact CB-CG1 4.23Å; E94-I128 HydrophobicContact CG-CD1 4.32Å; E94-I128 HydrophobicContact CG-CG1 4.45Å; E94-I128 WeakPolarHBondContact O-CD1 3.4Å; L97-I128 HydrophobicContact CD2-CD1 3.62Å; W98-I128 HydrophobicContact CB-CD1 4.38Å; W98-I128 HydrophobicContact CB-CG2 4.3Å; W98-I128 HydrophobicContact CD2-CG2 3.68Å; W98-I128 HydrophobicContact CE3-CB 4Å; W98-I128 HydrophobicContact CE3-CG2 3.41Å; W98-I128 VanDerWaalsContact CE3-CG2 3.41Å; W98-I128 HydrophobicContact CG-CG2 4.09Å; W98-I128 HydrophobicContact CZ3-CB 4.36Å; W98-I128 HydrophobicContact CZ3-CG2 3.95Å; R124-I128 VanDerWaalsContact O-CG1 3.29Å; R124-I128 WeakPolarHBondContact O-CG1 3.19Å; R124-I128 PolarHBondContact O-N 3.25Å; R124-I128 VanDerWaalsContact O-N 3.1Å; L125-I128 PolarHBondContact O-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.18Å; Q126-I128 VanDerWaalsContact O-N 3.13Å; I128-K131 PolarHBondContact O-N 3.37Å; I128-I132 HydrophobicContact CG2-CD1 3.95Å; I128-I132 WeakPolarHBondContact O-CD1 3.2Å; I128-I132 VanDerWaalsContact O-CG1 3.29Å; I128-I132 WeakPolarHBondContact O-CG1 3.39Å; I128-I132 PolarHBondContact O-N 3.07Å |
| 129 | R | 92.2 | Very high | 87.9 | Confident | 127 Ų | 127 | 83 Ų | 83 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 172.2 | -69.4 | 170.3 | 178.3 | 178.7 | -4.5 | 111.3 | W98 L125 Q126 K131 I132 E133 | W98-R129 HydrophobicContact CH2-CG 3.72Å; W98-R129 HydrophobicContact CZ3-CG 3.71Å; L125-R129 WeakPolarHBondContact O-CG 3.47Å; L125-R129 PolarHBondContact O-N 2.91Å; L125-R129 VanDerWaalsContact O-N 3.08Å; Q126-R129 CarbonylContact O-C 3.58Å; Q126-R129 WeakPolarHBondContact O-CA 3.34Å; Q126-R129 WeakPolarHBondContact O-CB 3.46Å; Q126-R129 PolarHBondContact O-N 3.28Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-I132 WeakPolarHBondContact O-CA 3.35Å; R129-I132 WeakPolarHBondContact O-CB 3.21Å; R129-I132 PolarHBondContact O-N 3.21Å; R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 PolarHBondContact O-N 2.93Å |
| 130 | D | 92.9 | Very high | 87.7 | Confident | 77 Ų | 77 | 83.3 Ų | 83.3 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | -179.6 | -51.8 | -21.8 | 0 | 0 | 0 | 110.9 | Q126 A134 | Q126-D130 PolarHBondContact NE2-OD1 3.38Å; Q126-D130 PolarHBondContact O-N 3Å; D130-A134 VanDerWaalsContact O-CB 3.23Å; D130-A134 WeakPolarHBondContact O-CB 3.48Å; D130-A134 PolarHBondContact O-N 3.09Å |
| 131 | K | 91.2 | Very high | 87.5 | Confident | 75 Ų | 75 | 88.4 Ų | 88.4 | 33% | 0.326 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 171.9 | -76.6 | 174.4 | 176.6 | -176.4 | 0 | 112.7 | L88 L90 E94 A127 I128 R129 R135 | L88-K131 WeakPolarHBondContact CD2-O 3.41Å; L90-K131 HydrophobicContact CD2-CD 3.41Å; L90-K131 VanDerWaalsContact CD2-CD 3.41Å; E94-K131 IonicContact OE1-NZ 2.69Å; E94-K131 PolarHBondContact OE1-NZ 2.96Å; E94-K131 IonicContact OE2-NZ 2.66Å; E94-K131 PolarHBondContact OE2-NZ 3.47Å; A127-K131 WeakPolarHBondContact O-CG 3.33Å; A127-K131 PolarHBondContact O-N 2.98Å; A127-K131 VanDerWaalsContact O-N 3.14Å; I128-K131 PolarHBondContact O-N 3.37Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 3.33Å; K131-R135 PolarHBondContact O-N 3.4Å; K131-R135 VanDerWaalsContact O-N 3.13Å |
| 132 | I | 89 | Confident | 87 | Confident | 52 Ų | 52 | 91 Ų | 91 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 178 | -69.2 | 162 | 0 | 0 | 0 | 110.4 | L85 L88 W98 I128 R129 R135 A136 | L85-I132 HydrophobicContact CD2-CD1 4.48Å; L88-I132 HydrophobicContact CD1-CG1 3.67Å; L88-I132 HydrophobicContact CD2-CG1 4.35Å; W98-I132 HydrophobicContact CD2-CD1 4.35Å; W98-I132 HydrophobicContact CH2-CD1 3.77Å; W98-I132 HydrophobicContact CZ2-CD1 3.38Å; W98-I132 HydrophobicContact CZ3-CD1 4.39Å; I128-I132 HydrophobicContact CG2-CD1 3.95Å; I128-I132 WeakPolarHBondContact O-CD1 3.2Å; I128-I132 VanDerWaalsContact O-CG1 3.29Å; I128-I132 WeakPolarHBondContact O-CG1 3.39Å; I128-I132 PolarHBondContact O-N 3.07Å; R129-I132 WeakPolarHBondContact O-CA 3.35Å; R129-I132 WeakPolarHBondContact O-CB 3.21Å; R129-I132 PolarHBondContact O-N 3.21Å; I132-R135 PolarHBondContact O-N 3.16Å; I132-A136 WeakPolarHBondContact O-CB 3.38Å; I132-A136 PolarHBondContact O-N 2.8Å |
| 133 | E | 91.8 | Very high | 85.9 | Confident | 136 Ų | 136 | 92.8 Ų | 92.8 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63 | -46.6 | 179.4 | -173.7 | 168.1 | -166.6 | 0 | 0 | 111.4 | R129 R135 A136 E137 | R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 PolarHBondContact O-N 2.93Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 3.25Å; E133-A136 WeakPolarHBondContact O-CB 3.15Å; E133-A136 PolarHBondContact O-N 2.9Å; E133-A136 VanDerWaalsContact O-N 3.13Å; E133-E137 WeakPolarHBondContact O-CB 3.27Å; E133-E137 PolarHBondContact O-N 2.99Å |
| 134 | A | 88.5 | Confident | 84.8 | Confident | 46 Ų | 46 | 91.9 Ų | 91.9 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D130 L138 | D130-A134 VanDerWaalsContact O-CB 3.23Å; D130-A134 WeakPolarHBondContact O-CB 3.48Å; D130-A134 PolarHBondContact O-N 3.09Å; A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 VanDerWaalsContact O-CG 3.27Å; A134-L138 WeakPolarHBondContact O-CG 3.38Å; A134-L138 PolarHBondContact O-N 2.88Å |
| 135 | R | 85.1 | Confident | 83.6 | Confident | 70 Ų | 70 | 90.4 Ų | 90.4 | 26% | 0.264 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 173.6 | -171.5 | -176.8 | 178.4 | -158.2 | -1.2 | 111.7 | A84 E87 L88 K131 I132 E133 E137 L138 L139 | A84-R135 PolarHBondContact O-NH1 3.01Å; E87-R135 VanDerWaalsContact CB-NH1 3.29Å; E87-R135 IonicContact OE2-CZ 2.82Å; E87-R135 IonicContact OE2-NH1 3.72Å; E87-R135 PolarHBondContact OE2-NH1 3.15Å; E87-R135 VanDerWaalsContact OE2-NH1 3.13Å; E87-R135 IonicContact OE2-NH2 3.04Å; E87-R135 PolarHBondContact OE2-NH2 2.89Å; L88-R135 HydrophobicContact CD2-CB 3.39Å; L88-R135 HydrophobicContact CD2-CG 3.96Å; K131-R135 PolarHBondContact O-N 3.4Å; K131-R135 VanDerWaalsContact O-N 3.13Å; I132-R135 PolarHBondContact O-N 3.16Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 3.25Å; R135-E137 VanDerWaalsContact C-N 3.31Å; R135-L138 PolarHBondContact O-N 3.49Å; R135-L139 HydrophobicContact CG-CD1 4.05Å; R135-L139 HydrophobicContact CG-CG 4.36Å; R135-L139 WeakPolarHBondContact O-CB 3.42Å; R135-L139 VanDerWaalsContact O-CG 3.32Å; R135-L139 WeakPolarHBondContact O-CG 3.42Å; R135-L139 PolarHBondContact O-N 3.5Å |
| 136 | A | 85.4 | Confident | 82.4 | Confident | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | I132 E133 L139 S140 | I132-A136 WeakPolarHBondContact O-CB 3.38Å; I132-A136 PolarHBondContact O-N 2.8Å; E133-A136 WeakPolarHBondContact O-CB 3.15Å; E133-A136 PolarHBondContact O-N 2.9Å; E133-A136 VanDerWaalsContact O-N 3.13Å; A136-L139 PolarHBondContact O-N 2.8Å; A136-S140 WeakPolarHBondContact O-CB 3.36Å; A136-S140 PolarHBondContact O-N 2.84Å |
| 137 | E | 88.3 | Confident | 81.3 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 172.7 | -161 | -148.2 | 131.1 | 0 | 0 | 110.9 | E133 R135 L139 S140 R141 | E133-E137 WeakPolarHBondContact O-CB 3.27Å; E133-E137 PolarHBondContact O-N 2.99Å; R135-E137 VanDerWaalsContact C-N 3.31Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.32Å; E137-S140 PolarHBondContact O-N 3.21Å; E137-S140 VanDerWaalsContact O-N 3.1Å; E137-S140 PolarHBondContact O-OG 3.19Å; E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE1-CZ 2.73Å; E137-R141 IonicContact OE1-NE 2.76Å; E137-R141 PolarHBondContact OE1-NE 3.48Å; E137-R141 IonicContact OE1-NH2 3.51Å; E137-R141 PolarHBondContact OE1-NH2 3.15Å |
| 138 | L | 81.8 | Confident | 80.4 | Confident | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.7 | -35.4 | 177.1 | -74.7 | 171.7 | 0 | 0 | 0 | 113.9 | A134 R135 | A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 VanDerWaalsContact O-CG 3.27Å; A134-L138 WeakPolarHBondContact O-CG 3.38Å; A134-L138 PolarHBondContact O-N 2.88Å; R135-L138 PolarHBondContact O-N 3.49Å |
| 139 | L | 77.1 | Confident | 79.6 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.1 | -25 | 176.1 | -71 | 172.7 | 0 | 0 | 0 | 113 | R135 A136 E137 R141 | R135-L139 HydrophobicContact CG-CD1 4.05Å; R135-L139 HydrophobicContact CG-CG 4.36Å; R135-L139 WeakPolarHBondContact O-CB 3.42Å; R135-L139 VanDerWaalsContact O-CG 3.32Å; R135-L139 WeakPolarHBondContact O-CG 3.42Å; R135-L139 PolarHBondContact O-N 3.5Å; A136-L139 PolarHBondContact O-N 2.8Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.32Å; L139-R141 VanDerWaalsContact C-N 3.32Å |
| 140 | S | 78.5 | Confident | 79.1 | Confident | 93 Ų | 93 | 98 Ų | 98 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76 | -20.5 | 175.1 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | A136 E137 | A136-S140 WeakPolarHBondContact O-CB 3.36Å; A136-S140 PolarHBondContact O-N 2.84Å; E137-S140 PolarHBondContact O-N 3.21Å; E137-S140 VanDerWaalsContact O-N 3.1Å; E137-S140 PolarHBondContact O-OG 3.19Å |
| 141 | R | 80.1 | Confident | 78.6 | Confident | 139 Ų | 139 | 95.2 Ų | 95.2 | 53% | 0.525 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -66.9 | 141.7 | 175.2 | -68.3 | 171.7 | -175.6 | -155.9 | 1.5 | 110.1 | E137 L139 Q143 | E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE1-CZ 2.73Å; E137-R141 IonicContact OE1-NE 2.76Å; E137-R141 PolarHBondContact OE1-NE 3.48Å; E137-R141 IonicContact OE1-NH2 3.51Å; E137-R141 PolarHBondContact OE1-NH2 3.15Å; L139-R141 VanDerWaalsContact C-N 3.32Å; R141-Q143 PolarHBondContact O-N 3.06Å |
| 142 | P | 73.3 | Confident | 78.3 | Confident | 108 Ų | 108 | 94.7 Ų | 94.7 | 70% | 0.701 | 51% | 0.509 | S | S | * | . | trans | -51.9 | 124.1 | 178.9 | -27.8 | 34.7 | 0 | 0 | 0 | 112.2 | R144 | P142-R144 PolarHBondContact O-N 2.87Š| ||
| 143 | Q | 64.7 | Low | 78 | Confident | 201 Ų | 201 | 101 Ų | 101 | 94% | 0.939 | 53% | 0.53 | S | S | * | . | trans | -74.7 | 89.2 | -174.8 | -168.4 | 173.6 | 9.8 | 0 | 0 | 110.8 | R141 | R141-Q143 PolarHBondContact O-N 3.06Š| ||
| 144 | R | 68.4 | Low | 77.6 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | trans | -71.7 | 140.6 | -179.9 | -67.2 | 178 | -177.9 | -175.1 | 1.1 | 111.2 | P142 H177 D179 | P142-R144 PolarHBondContact O-N 2.87Å; R144-H177 PolarHBondContact NH1-CD2 2.94Å; R144-H177 PolarHBondContact NH1-NE2 2.87Å; R144-H177 VanDerWaalsContact NH1-NE2 3.11Å; R144-D179 IonicContact NH1-OD1 2.95Å; R144-D179 PolarHBondContact NH1-OD1 3.44Å | ||
| 145 | F | 64.7 | Low | 77.5 | Confident | 118 Ų | 118 | 100.8 Ų | 100.8 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | trans | -58.1 | 139.6 | 166.2 | -76.7 | -78.5 | 0 | 0 | 0 | 110 | A147 S148 M195 | F145-A147 PolarHBondContact O-N 2.94Å; F145-A147 VanDerWaalsContact O-N 3.09Å; F145-S148 VanDerWaalsContact O-CB 3.31Å; F145-S148 WeakPolarHBondContact O-CB 3.41Å; F145-S148 PolarHBondContact O-N 3.4Å; F145-S148 PolarHBondContact O-OG 3.29Å; F145-M195 HydrophobicContact CE2-SD 4.12Å; F145-M195 HydrophobicContact CZ-SD 4.22Å | ||
| 146 | S | 64.4 | Low | 77.4 | Confident | 136 Ų | 136 | 99.6 Ų | 99.6 | 95% | 0.951 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.8 | -176.5 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 147 | A | 67.5 | Low | 77.3 | Confident | 84 Ų | 84 | 101.3 Ų | 101.3 | 69% | 0.694 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -2.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F145 | F145-A147 PolarHBondContact O-N 2.94Å; F145-A147 VanDerWaalsContact O-N 3.09Å |
| 148 | S | 72.8 | Confident | 77.1 | Confident | 23 Ų | 23 | 97.4 Ų | 97.4 | 16% | 0.161 | 49% | 0.493 | C | S | . | . | trans | -70.3 | 140.9 | -178.8 | 68 | 0 | 0 | 0 | 0 | 111.7 | F145 L175 H177 | F145-S148 VanDerWaalsContact O-CB 3.31Å; F145-S148 WeakPolarHBondContact O-CB 3.41Å; F145-S148 PolarHBondContact O-N 3.4Å; F145-S148 PolarHBondContact O-OG 3.29Å; S148-L175 WeakPolarHBondContact CA-O 3.25Å; S148-L175 WeakPolarHBondContact CB-O 3.46Å; S148-H177 PolarHBondContact O-CE1 3.29Å; S148-H177 PolarHBondContact OG-ND1 3.18Å | ||
| 149 | R | 74.6 | Confident | 77.1 | Confident | 141 Ų | 141 | 92.8 Ų | 92.8 | 53% | 0.532 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.7 | -173.1 | -173.4 | -178.8 | 168.5 | 137.7 | -6.6 | 110.8 | Y176 H177 | R149-Y176 WeakPolarHBondContact O-CA 3.36Å; R149-H177 PolarHBondContact O-N 3.18Å; R149-H177 VanDerWaalsContact O-N 3.09Å |
| 150 | P | 81.8 | Confident | 77.2 | Confident | 50 Ų | 50 | 91.7 Ų | 91.7 | 33% | 0.325 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 138.1 | 172.8 | 28.2 | -33.6 | 0 | 0 | 0 | 111.1 | H177 D179 | P150-H177 VanDerWaalsContact CA-CD2 3.43Å; P150-H177 WeakPolarHBondContact CA-CD2 3.02Å; P150-H177 WeakPolarHBondContact CA-O 3.24Å; P150-H177 VanDerWaalsContact CD-NE2 3.34Å; P150-H177 WeakPolarHBondContact CD-NE2 3.34Å; P150-D179 HydrophobicContact CB-CB 4.33Å; P150-D179 WeakPolarHBondContact CB-OD2 3.41Å |
| 151 | L | 81.1 | Confident | 77.4 | Confident | 18 Ų | 18 | 90.4 Ų | 90.4 | 9% | 0.094 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -72 | 125.1 | 173.3 | -61.7 | -176.8 | 0 | 0 | 0 | 110.9 | E21 E155 M156 E159 Y176 H177 | E21-L151 HydrophobicContact CB-CD2 3.56Å; E21-L151 HydrophobicContact CG-CD2 3.45Å; E21-L151 VanDerWaalsContact CG-CD2 3.45Å; L151-E155 HydrophobicContact CB-CB 4.49Å; L151-E155 HydrophobicContact CD2-CB 4.42Å; L151-M156 HydrophobicContact CB-CG 3.56Å; L151-M156 HydrophobicContact CD1-CG 3.86Å; L151-M156 HydrophobicContact CG-CG 4.4Å; L151-E159 HydrophobicContact CD1-CG 4.23Å; L151-E159 HydrophobicContact CD2-CG 4.47Å; L151-Y176 HydrophobicContact CD1-CD2 3.65Å; L151-Y176 HydrophobicContact CD1-CE2 3.65Å; L151-Y176 HydrophobicContact CD1-CG 4.3Å; L151-Y176 HydrophobicContact CD2-CD1 4.11Å; L151-Y176 HydrophobicContact CD2-CD2 3.92Å; L151-Y176 HydrophobicContact CD2-CE2 4.45Å; L151-Y176 HydrophobicContact CD2-CG 3.71Å; L151-Y176 HydrophobicContact CG-CD2 3.8Å; L151-Y176 HydrophobicContact CG-CE2 4.31Å; L151-Y176 HydrophobicContact CG-CG 4.08Å; L151-H177 PolarHBondContact N-O 2.99Å |
| 152 | S | 84.7 | Confident | 77.2 | Confident | 64 Ų | 64 | 87.8 Ų | 87.8 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 157.9 | 162.7 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | R154 E155 M156 | S152-R154 VanDerWaalsContact C-N 3.31Å; S152-R154 PolarHBondContact O-N 2.95Å; S152-E155 VanDerWaalsContact CB-CD 3.41Å; S152-E155 WeakPolarHBondContact CB-OE2 3.37Å; S152-E155 PolarHBondContact N-OE2 3.41Å; S152-E155 CarbonylContact O-C 3.53Å; S152-E155 WeakPolarHBondContact O-CA 3.28Å; S152-E155 WeakPolarHBondContact O-CB 3.32Å; S152-E155 PolarHBondContact O-N 2.65Å; S152-M156 PolarHBondContact O-N 2.78Å |
| 153 | R | 83.4 | Confident | 77.1 | Confident | 183 Ų | 183 | 85.3 Ų | 85.3 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -53.9 | -45.5 | 177.4 | 178.4 | 178.1 | 169.2 | 167.4 | 2.1 | 113 | E155 M156 E157 | R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 2.69Å; R153-M156 HydrophobicContact CB-CE 4.27Å; R153-M156 PolarHBondContact O-N 3.41Å; R153-E157 WeakPolarHBondContact CG-OE1 3.44Å; R153-E157 IonicContact CZ-OE1 3.31Å; R153-E157 IonicContact NE-OE1 2.69Å; R153-E157 PolarHBondContact NE-OE1 2.92Å; R153-E157 IonicContact NH2-OE1 3.12Å; R153-E157 PolarHBondContact NH2-OE1 2.79Å; R153-E157 WeakPolarHBondContact O-CG 3.47Å; R153-E157 PolarHBondContact O-N 3.13Å |
| 154 | R | 84.4 | Confident | 77.1 | Confident | 152 Ų | 152 | 83.1 Ų | 83.1 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.2 | -42.7 | 175.2 | 176.4 | 179.1 | 176.5 | -96.2 | 3.6 | 110.8 | S152 E157 I158 | S152-R154 VanDerWaalsContact C-N 3.31Å; S152-R154 PolarHBondContact O-N 2.95Å; R154-E157 PolarHBondContact O-N 3.41Å; R154-I158 HydrophobicContact CG-CD1 3.87Å; R154-I158 HydrophobicContact CG-CG1 4.48Å; R154-I158 WeakPolarHBondContact O-CG1 3.1Å; R154-I158 PolarHBondContact O-N 2.88Å |
| 155 | E | 85.3 | Confident | 76.7 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | -176.9 | -60.4 | 167.1 | -175.2 | 0 | 0 | 110.8 | E21 L151 S152 R153 E157 I158 E159 | E21-E155 VanDerWaalsContact CD-CD 3.48Å; E21-E155 HydrophobicContact CG-CB 3.67Å; E21-E155 HydrophobicContact CG-CG 3.99Å; E21-E155 WeakPolarHBondContact OE1-CG 3.14Å; L151-E155 HydrophobicContact CB-CB 4.49Å; L151-E155 HydrophobicContact CD2-CB 4.42Å; S152-E155 VanDerWaalsContact CB-CD 3.41Å; S152-E155 WeakPolarHBondContact CB-OE2 3.37Å; S152-E155 PolarHBondContact N-OE2 3.41Å; S152-E155 CarbonylContact O-C 3.53Å; S152-E155 WeakPolarHBondContact O-CA 3.28Å; S152-E155 WeakPolarHBondContact O-CB 3.32Å; S152-E155 PolarHBondContact O-N 2.65Å; R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 2.69Å; E155-E157 PolarHBondContact O-N 2.98Å; E155-I158 PolarHBondContact O-N 2.75Å; E155-E159 WeakPolarHBondContact O-CG 3.36Å; E155-E159 PolarHBondContact O-N 2.72Å |
| 156 | M | 82.5 | Confident | 76.6 | Confident | 45 Ų | 45 | 80 Ų | 80 | 22% | 0.222 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 169.7 | -66.1 | -166.7 | -71.6 | 0 | 0 | 113.1 | L151 S152 R153 I158 Q160 R178 | L151-M156 HydrophobicContact CB-CG 3.56Å; L151-M156 HydrophobicContact CD1-CG 3.86Å; L151-M156 HydrophobicContact CG-CG 4.4Å; S152-M156 PolarHBondContact O-N 2.78Å; R153-M156 HydrophobicContact CB-CE 4.27Å; R153-M156 PolarHBondContact O-N 3.41Å; M156-I158 PolarHBondContact O-N 2.92Å; M156-Q160 WeakPolarHBondContact O-CB 2.89Å; M156-Q160 VanDerWaalsContact O-CG 3.28Å; M156-Q160 WeakPolarHBondContact O-CG 3.42Å; M156-Q160 PolarHBondContact O-N 3.19Å; M156-R178 HydrophobicContact SD-CG 3.61Å; M156-R178 PolarHBondContact SD-NE 3.48Å |
| 157 | E | 84.2 | Confident | 76.3 | Confident | 93 Ų | 93 | 81.9 Ų | 81.9 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -30.3 | 178.2 | -71.3 | 167.3 | -173.3 | 0 | 0 | 111.2 | R153 R154 E155 A161 | R153-E157 WeakPolarHBondContact CG-OE1 3.44Å; R153-E157 IonicContact CZ-OE1 3.31Å; R153-E157 IonicContact NE-OE1 2.69Å; R153-E157 PolarHBondContact NE-OE1 2.92Å; R153-E157 IonicContact NH2-OE1 3.12Å; R153-E157 PolarHBondContact NH2-OE1 2.79Å; R153-E157 WeakPolarHBondContact O-CG 3.47Å; R153-E157 PolarHBondContact O-N 3.13Å; R154-E157 PolarHBondContact O-N 3.41Å; E155-E157 PolarHBondContact O-N 2.98Å; E157-A161 WeakPolarHBondContact O-CB 3.17Å; E157-A161 PolarHBondContact O-N 2.98Å |
| 158 | I | 83.6 | Confident | 75.7 | Confident | 17 Ų | 17 | 88.8 Ų | 88.8 | 9% | 0.087 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -76.1 | -50 | 176.5 | -65.7 | 173 | 0 | 0 | 0 | 112 | Q18 R154 E155 M156 Q160 A161 L162 | Q18-I158 HydrophobicContact CG-CD1 4.39Å; Q18-I158 HydrophobicContact CG-CG2 4.07Å; Q18-I158 VanDerWaalsContact NE2-CD1 3.33Å; Q18-I158 VanDerWaalsContact NE2-CG1 3.26Å; R154-I158 HydrophobicContact CG-CD1 3.87Å; R154-I158 HydrophobicContact CG-CG1 4.48Å; R154-I158 WeakPolarHBondContact O-CG1 3.1Å; R154-I158 PolarHBondContact O-N 2.88Å; E155-I158 PolarHBondContact O-N 2.75Å; M156-I158 PolarHBondContact O-N 2.92Å; I158-Q160 PolarHBondContact O-N 3.22Å; I158-A161 PolarHBondContact O-N 2.78Å; I158-L162 HydrophobicContact CG2-CD1 3.57Å; I158-L162 HydrophobicContact CG2-CG 4.34Å; I158-L162 WeakPolarHBondContact O-CB 3.47Å; I158-L162 WeakPolarHBondContact O-CG 3.13Å; I158-L162 PolarHBondContact O-N 2.76Å |
| 159 | E | 82.4 | Confident | 75 | Confident | 12 Ų | 12 | 88.7 Ų | 88.7 | 6% | 0.056 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -53.1 | -45.8 | 173 | -69.1 | -78.6 | 165.9 | 0 | 0 | 110.4 | T20 E21 G22 L151 E155 F163 Y176 | T20-E159 WeakPolarHBondContact CB-OE1 3.25Å; T20-E159 HydrophobicContact CG2-CG 4.41Å; E21-E159 WeakPolarHBondContact CA-OE1 3.14Å; E21-E159 WeakPolarHBondContact CB-OE1 3.29Å; E21-E159 PolarHBondContact N-OE1 3.41Å; G22-E159 PolarHBondContact N-OE1 3.01Å; L151-E159 HydrophobicContact CD1-CG 4.23Å; L151-E159 HydrophobicContact CD2-CG 4.47Å; E155-E159 WeakPolarHBondContact O-CG 3.36Å; E155-E159 PolarHBondContact O-N 2.72Å; E159-F163 PolarHBondContact O-N 3.2Å; E159-Y176 VanDerWaalsContact CD-OH 3.25Å; E159-Y176 HydrophobicContact CG-CE1 4.34Å; E159-Y176 VanDerWaalsContact OE1-CE1 3.24Å; E159-Y176 WeakPolarHBondContact OE1-CE1 3.47Å; E159-Y176 WeakPolarHBondContact OE2-CE1 3.24Å; E159-Y176 PolarHBondContact OE2-OH 2.79Å |
| 160 | Q | 79.4 | Confident | 74.5 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -53.4 | 175 | -75.3 | 179.6 | -26 | 0 | 0 | 111.7 | M156 I158 L162 F163 Q164 | M156-Q160 WeakPolarHBondContact O-CB 2.89Å; M156-Q160 VanDerWaalsContact O-CG 3.28Å; M156-Q160 WeakPolarHBondContact O-CG 3.42Å; M156-Q160 PolarHBondContact O-N 3.19Å; I158-Q160 PolarHBondContact O-N 3.22Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.39Å; Q160-F163 PolarHBondContact O-N 3.33Å; Q160-Q164 WeakPolarHBondContact O-CG 3.27Å; Q160-Q164 PolarHBondContact O-N 3.34Å |
| 161 | A | 82 | Confident | 73.9 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E157 I158 | E157-A161 WeakPolarHBondContact O-CB 3.17Å; E157-A161 PolarHBondContact O-N 2.98Å; I158-A161 PolarHBondContact O-N 2.78Å |
| 162 | L | 76.5 | Confident | 73.7 | Confident | 84 Ų | 84 | 86.7 Ų | 86.7 | 44% | 0.44 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -81.6 | -22.2 | -176.2 | -66.9 | 171.3 | 0 | 0 | 0 | 113.7 | Q18 T20 I158 Q160 | Q18-L162 WeakPolarHBondContact O-CD1 3.48Å; T20-L162 HydrophobicContact CG2-CB 4.46Å; T20-L162 HydrophobicContact CG2-CD1 3.83Å; I158-L162 HydrophobicContact CG2-CD1 3.57Å; I158-L162 HydrophobicContact CG2-CG 4.34Å; I158-L162 WeakPolarHBondContact O-CB 3.47Å; I158-L162 WeakPolarHBondContact O-CG 3.13Å; I158-L162 PolarHBondContact O-N 2.76Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.39Å |
| 163 | F | 70 | Confident | 73.2 | Confident | 57 Ų | 57 | 86.7 Ų | 86.7 | 25% | 0.25 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -128.6 | 23.7 | -171.2 | -68.2 | -88.3 | 0 | 0 | 0 | 114.9 | T20 E159 Q160 G165 T166 L169 | T20-F163 HydrophobicContact CG2-CD2 3.89Å; T20-F163 HydrophobicContact CG2-CE2 3.52Å; E159-F163 PolarHBondContact O-N 3.2Å; Q160-F163 PolarHBondContact O-N 3.33Å; F163-G165 PolarHBondContact O-N 3.06Å; F163-G165 VanDerWaalsContact O-N 3.08Å; F163-T166 PolarHBondContact O-N 2.89Å; F163-T166 PolarHBondContact O-OG1 2.95Å; F163-L169 HydrophobicContact CB-CD1 3.77Å; F163-L169 HydrophobicContact CD1-CD1 3.5Å; F163-L169 VanDerWaalsContact CD1-CD1 3.5Å; F163-L169 HydrophobicContact CD1-CD2 4.17Å; F163-L169 HydrophobicContact CD1-CG 3.67Å; F163-L169 HydrophobicContact CD2-CD1 3.46Å; F163-L169 VanDerWaalsContact CD2-CD1 3.46Å; F163-L169 HydrophobicContact CD2-CG 4.49Å; F163-L169 HydrophobicContact CE1-CD1 3.89Å; F163-L169 HydrophobicContact CE1-CD2 3.87Å; F163-L169 HydrophobicContact CE1-CG 3.92Å; F163-L169 HydrophobicContact CE2-CD1 3.89Å; F163-L169 HydrophobicContact CG-CD1 3.26Å; F163-L169 HydrophobicContact CG-CG 3.98Å; F163-L169 HydrophobicContact CZ-CD1 4.07Å; F163-L169 HydrophobicContact CZ-CD2 4.16Å; F163-L169 HydrophobicContact CZ-CG 4.44Å |
| 164 | Q | 65.7 | Low | 72.8 | Confident | 155 Ų | 155 | 78.9 Ų | 78.9 | 72% | 0.724 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 118.1 | 173.2 | -54.7 | -165.4 | 0.2 | 0 | 0 | 110.9 | Q160 T166 | Q160-Q164 WeakPolarHBondContact O-CG 3.27Å; Q160-Q164 PolarHBondContact O-N 3.34Å; Q164-T166 PolarHBondContact O-N 2.81Å |
| 165 | G | 60.3 | Low | 72.6 | Confident | 89 Ų | 89 | 73 Ų | 73 | 92% | 0.918 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 14.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F163 | F163-G165 PolarHBondContact O-N 3.06Å; F163-G165 VanDerWaalsContact O-N 3.08Å |
| 166 | T | 61.5 | Low | 72.3 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | trans | -115.4 | 116.1 | 172.7 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | F163 Q164 R168 | F163-T166 PolarHBondContact O-N 2.89Å; F163-T166 PolarHBondContact O-OG1 2.95Å; Q164-T166 PolarHBondContact O-N 2.81Å; T166-R168 PolarHBondContact O-N 3.42Å | ||
| 167 | D | 58 | Low | 72 | Confident | 176 Ų | 176 | 72.4 Ų | 72.4 | 94% | 0.941 | 40% | 0.397 | S | S | * | . | trans | -76.2 | 19.6 | -171.5 | -147 | 18.7 | 0 | 0 | 0 | 114.2 | ||||
| 168 | R | 55.9 | Low | 71.7 | Confident | 229 Ų | 229 | 73 Ų | 73 | 86% | 0.864 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 16.1 | -161.7 | -132.1 | -178.5 | -167.1 | -156 | 2 | 115.2 | T166 | T166-R168 PolarHBondContact O-N 3.42Š|
| 169 | L | 57.2 | Low | 70.6 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 2.8 | -172 | -72.6 | -166.4 | 0 | 0 | 0 | 116.7 | F163 F171 L172 T173 | F163-L169 HydrophobicContact CB-CD1 3.77Å; F163-L169 HydrophobicContact CD1-CD1 3.5Å; F163-L169 VanDerWaalsContact CD1-CD1 3.5Å; F163-L169 HydrophobicContact CD1-CD2 4.17Å; F163-L169 HydrophobicContact CD1-CG 3.67Å; F163-L169 HydrophobicContact CD2-CD1 3.46Å; F163-L169 VanDerWaalsContact CD2-CD1 3.46Å; F163-L169 HydrophobicContact CD2-CG 4.49Å; F163-L169 HydrophobicContact CE1-CD1 3.89Å; F163-L169 HydrophobicContact CE1-CD2 3.87Å; F163-L169 HydrophobicContact CE1-CG 3.92Å; F163-L169 HydrophobicContact CE2-CD1 3.89Å; F163-L169 HydrophobicContact CG-CD1 3.26Å; F163-L169 HydrophobicContact CG-CG 3.98Å; F163-L169 HydrophobicContact CZ-CD1 4.07Å; F163-L169 HydrophobicContact CZ-CD2 4.16Å; F163-L169 HydrophobicContact CZ-CG 4.44Å; L169-F171 CarbonylContact O-C 3.58Å; L169-F171 PolarHBondContact O-N 2.83Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L169-L172 HydrophobicContact CD2-CD1 3.78Å; L169-L172 HydrophobicContact CD2-CG 4.17Å; L169-L172 PolarHBondContact O-N 2.94Å; L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 2.93Å |
| 170 | G | 63.4 | Low | 69.4 | Low | 48 Ų | 48 | 79.1 Ų | 79.1 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -48.7 | -34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A174 | G170-A174 PolarHBondContact O-N 3.17Å |
| 171 | F | 71.1 | Confident | 68 | Low | 100 Ų | 100 | 80.3 Ų | 80.3 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 172.3 | 172.4 | -110.6 | 0 | 0 | 0 | 114.9 | L26 L169 T173 A174 L198 | L26-F171 HydrophobicContact CD1-CE1 3.95Å; L26-F171 HydrophobicContact CD1-CZ 4.02Å; L26-F171 HydrophobicContact CD2-CE1 4.25Å; L169-F171 CarbonylContact O-C 3.58Å; L169-F171 PolarHBondContact O-N 2.83Å; F171-T173 VanDerWaalsContact C-N 3.34Å; F171-A174 WeakPolarHBondContact O-CB 3.34Å; F171-A174 PolarHBondContact O-N 3.12Å; F171-L198 HydrophobicContact CB-CD1 4.29Å; F171-L198 HydrophobicContact CB-CD2 4.15Å; F171-L198 HydrophobicContact CD2-CD1 4.01Å; F171-L198 HydrophobicContact CD2-CD2 3.97Å; F171-L198 HydrophobicContact CG-CD2 4.43Å |
| 172 | L | 75.7 | Confident | 66.4 | Low | 19 Ų | 19 | 83.3 Ų | 83.3 | 10% | 0.099 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -73.7 | -29.3 | -179.5 | -66.3 | -168.4 | 0 | 0 | 0 | 111.7 | Q23 L26 L169 A174 L175 Y176 | Q23-L172 HydrophobicContact CG-CD1 3.93Å; L26-L172 HydrophobicContact CB-CD2 4.04Å; L26-L172 HydrophobicContact CD2-CD2 4.01Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L169-L172 HydrophobicContact CD2-CD1 3.78Å; L169-L172 HydrophobicContact CD2-CG 4.17Å; L169-L172 PolarHBondContact O-N 2.94Å; L172-A174 PolarHBondContact O-N 3.08Å; L172-L175 HydrophobicContact CD2-CD1 3.73Å; L172-L175 WeakPolarHBondContact O-CB 3.43Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-Y176 WeakPolarHBondContact O-CD1 3.33Å |
| 173 | T | 74.9 | Confident | 64.9 | Low | 65 Ų | 65 | 86.5 Ų | 86.5 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.3 | -32.1 | 170.6 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | L169 F171 L175 Y176 | L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 2.93Å; F171-T173 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 3.33Å; T173-Y176 HydrophobicContact CG2-CE2 3.91Å; T173-Y176 PolarHBondContact O-N 3.09Å |
| 174 | A | 75.4 | Confident | 63.7 | Low | 18 Ų | 18 | 91.6 Ų | 91.6 | 15% | 0.149 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G170 F171 L172 | G170-A174 PolarHBondContact O-N 3.17Å; F171-A174 WeakPolarHBondContact O-CB 3.34Å; F171-A174 PolarHBondContact O-N 3.12Å; L172-A174 PolarHBondContact O-N 3.08Å |
| 175 | L | 79.6 | Confident | 62.1 | Low | 28 Ų | 28 | 90 Ų | 90 | 15% | 0.147 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -26.6 | 177.7 | -55.5 | 179.1 | 0 | 0 | 0 | 112.2 | G22 Q25 L26 S148 L172 T173 | G22-L175 WeakPolarHBondContact O-CD1 3.43Å; Q25-L175 HydrophobicContact CB-CB 4.09Å; Q25-L175 HydrophobicContact CB-CD1 4.22Å; Q25-L175 PolarHBondContact OE1-O 3.21Å; L26-L175 HydrophobicContact CB-CD1 3.91Å; S148-L175 WeakPolarHBondContact CA-O 3.25Å; S148-L175 WeakPolarHBondContact CB-O 3.46Å; L172-L175 HydrophobicContact CD2-CD1 3.73Å; L172-L175 WeakPolarHBondContact O-CB 3.43Å; L172-L175 PolarHBondContact O-N 2.94Å; T173-L175 PolarHBondContact O-N 3.33Å |
| 176 | Y | 79.1 | Confident | 61.3 | Low | 33 Ų | 33 | 93.5 Ų | 93.5 | 13% | 0.129 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 175.3 | -179.9 | 56.1 | -112.8 | 0 | 0 | 0 | 112.5 | E21 R149 L151 E159 L172 T173 | E21-Y176 HydrophobicContact CB-CD1 4.23Å; R149-Y176 WeakPolarHBondContact O-CA 3.36Å; L151-Y176 HydrophobicContact CD1-CD2 3.65Å; L151-Y176 HydrophobicContact CD1-CE2 3.65Å; L151-Y176 HydrophobicContact CD1-CG 4.3Å; L151-Y176 HydrophobicContact CD2-CD1 4.11Å; L151-Y176 HydrophobicContact CD2-CD2 3.92Å; L151-Y176 HydrophobicContact CD2-CE2 4.45Å; L151-Y176 HydrophobicContact CD2-CG 3.71Å; L151-Y176 HydrophobicContact CG-CD2 3.8Å; L151-Y176 HydrophobicContact CG-CE2 4.31Å; L151-Y176 HydrophobicContact CG-CG 4.08Å; E159-Y176 VanDerWaalsContact CD-OH 3.25Å; E159-Y176 HydrophobicContact CG-CE1 4.34Å; E159-Y176 VanDerWaalsContact OE1-CE1 3.24Å; E159-Y176 WeakPolarHBondContact OE1-CE1 3.47Å; E159-Y176 WeakPolarHBondContact OE2-CE1 3.24Å; E159-Y176 PolarHBondContact OE2-OH 2.79Å; L172-Y176 WeakPolarHBondContact O-CD1 3.33Å; T173-Y176 HydrophobicContact CG2-CE2 3.91Å; T173-Y176 PolarHBondContact O-N 3.09Å |
| 177 | H | 76.3 | Confident | 60 | Low | 28 Ų | 28 | 98.5 Ų | 98.5 | 13% | 0.13 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 155.7 | 172.7 | 50.2 | -101.9 | 0 | 0 | 0 | 112.3 | R144 S148 R149 P150 L151 D179 | R144-H177 PolarHBondContact NH1-CD2 2.94Å; R144-H177 PolarHBondContact NH1-NE2 2.87Å; R144-H177 VanDerWaalsContact NH1-NE2 3.11Å; S148-H177 PolarHBondContact O-CE1 3.29Å; S148-H177 PolarHBondContact OG-ND1 3.18Å; R149-H177 PolarHBondContact O-N 3.18Å; R149-H177 VanDerWaalsContact O-N 3.09Å; P150-H177 VanDerWaalsContact CA-CD2 3.43Å; P150-H177 WeakPolarHBondContact CA-CD2 3.02Å; P150-H177 WeakPolarHBondContact CA-O 3.24Å; P150-H177 VanDerWaalsContact CD-NE2 3.34Å; P150-H177 WeakPolarHBondContact CD-NE2 3.34Å; L151-H177 PolarHBondContact N-O 2.99Å; H177-D179 IonicContact CD2-OD1 3.56Å; H177-D179 PolarHBondContact CD2-OD1 3.28Å; H177-D179 IonicContact NE2-OD1 2.63Å |
| 178 | R | 76.6 | Confident | 59.1 | Low | 105 Ų | 105 | 94.8 Ų | 94.8 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | trans | -94.3 | 114.9 | 173.3 | -137.6 | 172.8 | -159.6 | 149.1 | 9 | 108.3 | M156 G180 | M156-R178 HydrophobicContact SD-CG 3.61Å; M156-R178 PolarHBondContact SD-NE 3.48Å; R178-G180 VanDerWaalsContact C-N 3.27Å; R178-G180 PolarHBondContact O-N 2.79Å | ||
| 179 | D | 60.9 | Low | 58 | Low | 111 Ų | 111 | 88.2 Ų | 88.2 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 87.3 | 168.9 | -79.9 | -11.5 | 0 | 0 | 0 | 107.9 | R144 P150 H177 | R144-D179 IonicContact NH1-OD1 2.95Å; R144-D179 PolarHBondContact NH1-OD1 3.44Å; P150-D179 HydrophobicContact CB-CB 4.33Å; P150-D179 WeakPolarHBondContact CB-OD2 3.41Å; H177-D179 IonicContact CD2-OD1 3.56Å; H177-D179 PolarHBondContact CD2-OD1 3.28Å; H177-D179 IonicContact NE2-OD1 2.63Å |
| 180 | G | 57.2 | Low | 57.1 | Low | 47 Ų | 47 | 92 Ų | 92 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -175.8 | -21.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R178 T182 | R178-G180 VanDerWaalsContact C-N 3.27Å; R178-G180 PolarHBondContact O-N 2.79Å; G180-T182 PolarHBondContact O-N 2.94Å |
| 181 | D | 50.7 | Low | 56.1 | Low | 126 Ų | 126 | 95.5 Ų | 95.5 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 33.6 | -176.3 | -49.2 | -34.2 | 0 | 0 | 0 | 113.9 | ||
| 182 | T | 49.1 | Very low | 54.7 | Low | 129 Ų | 129 | 93 Ų | 93 | 79% | 0.791 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -21.7 | 168.4 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | G180 | G180-T182 PolarHBondContact O-N 2.94Š|
| 183 | E | 43.8 | Very low | 53.8 | Low | 152 Ų | 152 | 96.6 Ų | 96.6 | 71% | 0.71 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -110.3 | 132 | -177.4 | -62.8 | -62.5 | 147.1 | 0 | 0 | 111.9 | ||
| 184 | E | 44.3 | Very low | 52.8 | Low | 163 Ų | 163 | 97 Ų | 97 | 76% | 0.762 | 58% | 0.575 | S | S | * | * | trans | -30.7 | 131 | -173.3 | -55.8 | -177.6 | 135.5 | 0 | 0 | 118.5 | ||||
| 185 | S | 32.6 | Very low | 52 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 85% | 0.846 | 58% | 0.58 | S | S | * | * | trans | -144.1 | 80.9 | 150.3 | -79.3 | 0 | 0 | 0 | 0 | 110.7 | Q187 | S185-Q187 VanDerWaalsContact C-N 3.31Å; S185-Q187 PolarHBondContact O-N 2.73Å | ||
| 186 | Q | 44.4 | Very low | 51.1 | Low | 164 Ų | 164 | 100.6 Ų | 100.6 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | trans | -71.8 | 80.4 | 171.5 | -66.8 | -176.1 | 14.6 | 0 | 0 | 111.4 | ||||
| 187 | Q | 33.1 | Very low | 50.3 | Low | 187 Ų | 187 | 101.8 Ų | 101.8 | 87% | 0.874 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -150.4 | 95 | 159.7 | -110.6 | 117 | 68.6 | 0 | 0 | 113 | S185 A189 | S185-Q187 VanDerWaalsContact C-N 3.31Å; S185-Q187 PolarHBondContact O-N 2.73Å; Q187-A189 PolarHBondContact O-N 3.15Å; Q187-A189 VanDerWaalsContact O-N 3.13Å |
| 188 | G | 39.6 | Very low | 49.4 | Very low | 97 Ų | 97 | 102.4 Ų | 102.4 | 100% | 1 | 61% | 0.608 | S | S | * | * | trans | 54 | 44.9 | 137.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 189 | A | 33.4 | Very low | 48.8 | Very low | 92 Ų | 92 | 104.2 Ų | 104.2 | 76% | 0.76 | 62% | 0.616 | S | S | * | * | trans | -124.5 | 133.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q187 S191 | Q187-A189 PolarHBondContact O-N 3.15Å; Q187-A189 VanDerWaalsContact O-N 3.13Å; A189-S191 PolarHBondContact O-N 3.04Å | ||
| 190 | S | 37.5 | Very low | 49.3 | Very low | 98 Ų | 98 | 105 Ų | 105 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | trans | -49.2 | 132.2 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | S192 | S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-N 3.44Å | ||
| 191 | S | 41.9 | Very low | 49.6 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 86% | 0.86 | 61% | 0.606 | S | S | * | * | trans | -73 | 52 | 167.6 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | A189 D193 | A189-S191 PolarHBondContact O-N 3.04Å; S191-D193 PolarHBondContact O-N 3.26Å | ||
| 192 | S | 43.1 | Very low | 50.3 | Low | 46 Ų | 46 | 104.5 Ų | 104.5 | 32% | 0.322 | 60% | 0.599 | S | S | . | * | trans | -71.7 | 122.1 | 165.3 | 47.3 | 0 | 0 | 0 | 0 | 107.6 | S190 | S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-N 3.44Å | ||
| 193 | D | 56.3 | Low | 51.3 | Low | 95 Ų | 95 | 102.7 Ų | 102.7 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | trans | -41.5 | 127.3 | 156.8 | 174 | -1.9 | 0 | 0 | 0 | 108.4 | S191 M195 D196 | S191-D193 PolarHBondContact O-N 3.26Å; D193-M195 PolarHBondContact O-N 3.08Å; D193-M195 WeakPolarHBondContact OD1-CB 3.32Å; D193-M195 PolarHBondContact OD1-N 3.09Å; D193-D196 HydrophobicContact CB-CB 4.14Å; D193-D196 WeakPolarHBondContact O-CB 3.15Å; D193-D196 PolarHBondContact O-N 3.36Å | ||
| 194 | P | 54.6 | Low | 52.4 | Low | 74 Ų | 74 | 103.4 Ų | 103.4 | 48% | 0.481 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -54.9 | -26.7 | 178.5 | 21.4 | -33.3 | 0 | 0 | 0 | 112.6 | L198 | P194-L198 PolarHBondContact O-N 3.19Å |
| 195 | M | 57.8 | Low | 52.8 | Low | 53 Ų | 53 | 100.2 Ų | 100.2 | 26% | 0.261 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.1 | -31 | 172.3 | -65.3 | -58.9 | -54.2 | 0 | 0 | 113.4 | F145 D193 L198 Y199 | F145-M195 HydrophobicContact CE2-SD 4.12Å; F145-M195 HydrophobicContact CZ-SD 4.22Å; D193-M195 PolarHBondContact O-N 3.08Å; D193-M195 WeakPolarHBondContact OD1-CB 3.32Å; D193-M195 PolarHBondContact OD1-N 3.09Å; M195-L198 HydrophobicContact CE-CD1 4.46Å; M195-L198 VanDerWaalsContact O-CB 3.27Å; M195-L198 WeakPolarHBondContact O-CB 3.48Å; M195-L198 PolarHBondContact O-N 3.41Å; M195-L198 HydrophobicContact SD-CD1 4.02Å; M195-Y199 HydrophobicContact CB-CD2 4.43Å; M195-Y199 HydrophobicContact CE-CD2 4.47Å; M195-Y199 HydrophobicContact CE-CE2 4.04Å; M195-Y199 VanDerWaalsContact O-CD2 3.26Å; M195-Y199 WeakPolarHBondContact O-CD2 3.41Å; M195-Y199 PolarHBondContact O-N 2.96Å |
| 196 | D | 61.1 | Low | 53.7 | Low | 68 Ų | 68 | 100.7 Ų | 100.7 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.7 | -27.5 | -178.9 | 179.1 | 55.5 | 0 | 0 | 0 | 112.8 | D193 R200 | D193-D196 HydrophobicContact CB-CB 4.14Å; D193-D196 WeakPolarHBondContact O-CB 3.15Å; D193-D196 PolarHBondContact O-N 3.36Å; D196-R200 WeakPolarHBondContact O-CB 3.43Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 VanDerWaalsContact O-N 3.16Å; D196-R200 PolarHBondContact O-NE 3.22Å; D196-R200 IonicContact OD2-CZ 2.65Å; D196-R200 IonicContact OD2-NE 3.35Å; D196-R200 IonicContact OD2-NH2 2.69Å; D196-R200 PolarHBondContact OD2-NH2 2.76Å |
| 197 | S | 61.2 | Low | 54 | Low | 58 Ų | 58 | 101.4 Ų | 101.4 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -45.3 | 166.9 | -162.5 | 0 | 0 | 0 | 0 | 111 | R200 D201 | S197-R200 PolarHBondContact O-N 3.11Å; S197-D201 PolarHBondContact O-N 2.89Å |
| 198 | L | 57.6 | Low | 54.6 | Low | 41 Ų | 41 | 100.8 Ų | 100.8 | 22% | 0.215 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -57.7 | -49.9 | 176.3 | -104.2 | 154.2 | 0 | 0 | 0 | 112.8 | F171 P194 M195 R200 D201 V202 | F171-L198 HydrophobicContact CB-CD1 4.29Å; F171-L198 HydrophobicContact CB-CD2 4.15Å; F171-L198 HydrophobicContact CD2-CD1 4.01Å; F171-L198 HydrophobicContact CD2-CD2 3.97Å; F171-L198 HydrophobicContact CG-CD2 4.43Å; P194-L198 PolarHBondContact O-N 3.19Å; M195-L198 HydrophobicContact CE-CD1 4.46Å; M195-L198 VanDerWaalsContact O-CB 3.27Å; M195-L198 WeakPolarHBondContact O-CB 3.48Å; M195-L198 PolarHBondContact O-N 3.41Å; M195-L198 HydrophobicContact SD-CD1 4.02Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.9Å; L198-D201 PolarHBondContact O-N 3.49Å; L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L198-V202 PolarHBondContact O-N 2.92Å |
| 199 | Y | 65.7 | Low | 54.9 | Low | 144 Ų | 144 | 103 Ų | 103 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 176.2 | -88.9 | -71.4 | 0 | 0 | 0 | 111 | M195 D201 L203 | M195-Y199 HydrophobicContact CB-CD2 4.43Å; M195-Y199 HydrophobicContact CE-CD2 4.47Å; M195-Y199 HydrophobicContact CE-CE2 4.04Å; M195-Y199 VanDerWaalsContact O-CD2 3.26Å; M195-Y199 WeakPolarHBondContact O-CD2 3.41Å; M195-Y199 PolarHBondContact O-N 2.96Å; Y199-D201 PolarHBondContact O-N 3.33Å; Y199-L203 WeakPolarHBondContact O-CB 3.37Å; Y199-L203 WeakPolarHBondContact O-CD1 3.3Å; Y199-L203 WeakPolarHBondContact O-CG 3.31Å; Y199-L203 PolarHBondContact O-N 2.65Å |
| 200 | R | 69.9 | Low | 54.9 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.6 | -90.8 | -174.6 | -88.7 | -171.7 | -3.6 | 113.6 | D196 S197 L198 R204 | D196-R200 WeakPolarHBondContact O-CB 3.43Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 VanDerWaalsContact O-N 3.16Å; D196-R200 PolarHBondContact O-NE 3.22Å; D196-R200 IonicContact OD2-CZ 2.65Å; D196-R200 IonicContact OD2-NE 3.35Å; D196-R200 IonicContact OD2-NH2 2.69Å; D196-R200 PolarHBondContact OD2-NH2 2.76Å; S197-R200 PolarHBondContact O-N 3.11Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.9Å; R200-R204 WeakPolarHBondContact O-CB 3.21Å; R200-R204 WeakPolarHBondContact O-CG 3.19Å; R200-R204 PolarHBondContact O-N 3.35Å |
| 201 | D | 63.4 | Low | 55 | Low | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.7 | -38.4 | -178 | -70.4 | -30 | 0 | 0 | 0 | 112.5 | S197 L198 Y199 R204 C205 | S197-D201 PolarHBondContact O-N 2.89Å; L198-D201 PolarHBondContact O-N 3.49Å; Y199-D201 PolarHBondContact O-N 3.33Å; D201-R204 WeakPolarHBondContact O-CB 3.44Å; D201-R204 PolarHBondContact O-N 2.93Å; D201-R204 IonicContact OD1-NH1 2.72Å; D201-R204 PolarHBondContact OD1-NH1 3.5Å; D201-C205 PolarHBondContact O-N 2.87Å; D201-C205 PolarHBondContact O-SG 2.97Å |
| 202 | V | 66.4 | Low | 54.6 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 171.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L198 R204 C205 Q206 | L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L198-V202 PolarHBondContact O-N 2.92Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.29Å; V202-C205 PolarHBondContact O-N 3.39Å; V202-Q206 PolarHBondContact O-N 3.38Å; V202-Q206 VanDerWaalsContact O-N 3.08Å |
| 203 | L | 68.8 | Low | 54 | Low | 92 Ų | 92 | 112.9 Ų | 112.9 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.8 | -27.7 | 178 | -68.3 | 169.7 | 0 | 0 | 0 | 112.9 | Y199 K207 | Y199-L203 WeakPolarHBondContact O-CB 3.37Å; Y199-L203 WeakPolarHBondContact O-CD1 3.3Å; Y199-L203 WeakPolarHBondContact O-CG 3.31Å; Y199-L203 PolarHBondContact O-N 2.65Å; L203-K207 PolarHBondContact O-N 2.88Å |
| 204 | R | 67.5 | Low | 53.1 | Low | 166 Ų | 166 | 113.6 Ų | 113.6 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.9 | -48.8 | 168.8 | -87.5 | 176.2 | 174.5 | 153.8 | -7 | 111.6 | R200 D201 V202 Q206 K207 | R200-R204 WeakPolarHBondContact O-CB 3.21Å; R200-R204 WeakPolarHBondContact O-CG 3.19Å; R200-R204 PolarHBondContact O-N 3.35Å; D201-R204 WeakPolarHBondContact O-CB 3.44Å; D201-R204 PolarHBondContact O-N 2.93Å; D201-R204 IonicContact OD1-NH1 2.72Å; D201-R204 PolarHBondContact OD1-NH1 3.5Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.29Å; R204-Q206 PolarHBondContact O-N 2.89Å; R204-K207 PolarHBondContact O-N 3.32Å |
| 205 | C | 53 | Low | 52.1 | Low | 96 Ų | 96 | 119.4 Ų | 119.4 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.8 | -34.8 | 177.5 | -69.7 | 0 | 0 | 0 | 0 | 112 | D201 V202 K207 H208 | D201-C205 PolarHBondContact O-N 2.87Å; D201-C205 PolarHBondContact O-SG 2.97Å; V202-C205 PolarHBondContact O-N 3.39Å; C205-K207 VanDerWaalsContact C-N 3.34Å; C205-K207 PolarHBondContact O-N 2.96Å; C205-H208 PolarHBondContact O-N 3.28Å |
| 206 | Q | 51 | Low | 50.8 | Low | 132 Ų | 132 | 119.9 Ų | 119.9 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72 | -23.5 | 179.8 | -158.4 | 157.7 | 42.3 | 0 | 0 | 113.9 | V202 R204 H208 I209 | V202-Q206 PolarHBondContact O-N 3.38Å; V202-Q206 VanDerWaalsContact O-N 3.08Å; R204-Q206 PolarHBondContact O-N 2.89Å; Q206-H208 PolarHBondContact O-N 3.38Å; Q206-I209 PolarHBondContact O-N 2.99Å |
| 207 | K | 50.2 | Low | 49.3 | Very low | 179 Ų | 179 | 126.4 Ų | 126.4 | 78% | 0.778 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -9.5 | 175.7 | -79.3 | -175.7 | 176 | -175.1 | 0 | 114.9 | L203 R204 C205 I209 | L203-K207 PolarHBondContact O-N 2.88Å; R204-K207 PolarHBondContact O-N 3.32Å; C205-K207 VanDerWaalsContact C-N 3.34Å; C205-K207 PolarHBondContact O-N 2.96Å; K207-I209 VanDerWaalsContact C-N 3.33Å |
| 208 | H | 47 | Very low | 47.8 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 80% | 0.801 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 5.6 | 174.4 | -77.2 | -78.2 | 0 | 0 | 0 | 113.9 | C205 Q206 | C205-H208 PolarHBondContact O-N 3.28Å; Q206-H208 PolarHBondContact O-N 3.38Å |
| 209 | I | 45.9 | Very low | 46.4 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -126.7 | 84 | 175.7 | -50 | 177.9 | 0 | 0 | 0 | 109.1 | Q206 K207 | Q206-I209 PolarHBondContact O-N 2.99Å; K207-I209 VanDerWaalsContact C-N 3.33Å | ||
| 210 | S | 33.3 | Very low | 44.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | -147.2 | 139.5 | 162.1 | -71.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 211 | P | 39.8 | Very low | 42.6 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -76.1 | 131.4 | -172.8 | 30.6 | -33.7 | 0 | 0 | 0 | 110.8 | ||||
| 212 | E | 31.9 | Very low | 40.9 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -85.2 | 108.9 | 163.4 | -65.2 | -160.3 | 140.7 | 0 | 0 | 108.8 | ||||
| 213 | D | 30.9 | Very low | 39.1 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -80.9 | 148.6 | 160.3 | -91 | -46.2 | 0 | 0 | 0 | 110 | ||||
| 214 | S | 38.8 | Very low | 37.1 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -70.4 | 149.2 | -165.3 | -61.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 215 | E | 32.8 | Very low | 35.2 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | 178.7 | 134.8 | 96.9 | -91.6 | -168.4 | 149.7 | 0 | 0 | 114.1 | |||||
| 216 | G | 29.7 | Very low | 34.2 | Very low | 62 Ų | 62 | 136.9 Ų | 136.9 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | 92.3 | 87.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 217 | Q | 31.2 | Very low | 33.3 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | -165.7 | 167.4 | 123.5 | -106.9 | 151.1 | 92.6 | 0 | 0 | 114.3 | |||||
| 218 | Q | 28.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -96 | 161.5 | -157.9 | -61.9 | 168.4 | -27.3 | 0 | 0 | 114.4 | ||||
| 219 | A | 28 | Very low | 31.7 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 70.2 | 143.1 | 153 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 220 | V | 27.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | cis | -160.6 | 157.3 | 0.5 | -110.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 221 | G | 27.6 | Very low | 30.8 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 107.7 | 95.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 222 | S | 28.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | 64.7 | 98.5 | 127.7 | -53.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 223 | A | 28 | Very low | 30.3 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | 77.6 | 129.5 | 115.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 224 | S | 28.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 82 | 98.9 | 150.9 | 70.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 225 | G | 26.8 | Very low | 29.7 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -105.8 | 165.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 226 | Q | 32.6 | Very low | 29.4 | Very low | 201 Ų | 201 | 125.7 Ų | 125.7 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -114.9 | 143.4 | 162.9 | -77 | -172 | -11.4 | 0 | 0 | 110.4 | ||||
| 227 | S | 32 | Very low | 29.4 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -51.9 | 176.6 | 175 | -25.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 228 | D | 29.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | cis | -148.1 | 134 | 18.6 | -100.8 | -48.4 | 0 | 0 | 0 | 109.7 | ||||
| 229 | Q | 33.2 | Very low | 29.5 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | 68.5 | 127 | 89.9 | -74.2 | -165.3 | 84.5 | 0 | 0 | 118.1 | |||||
| 230 | S | 29 | Very low | 29.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -147.3 | 122.8 | 153 | -66.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 231 | Q | 31.4 | Very low | 29.4 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -89.8 | 141.5 | -175.8 | -64.6 | -177.9 | 1.5 | 0 | 0 | 109.8 | ||||
| 232 | S | 28.3 | Very low | 29.5 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 60 | 136.4 | 78.9 | 130.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 233 | S | 32.4 | Very low | 29.3 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | cis | -167.2 | 156 | 13.9 | -91.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | Q | 31 | Very low | 29.3 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 49.4 | 157.6 | 132.5 | -59.3 | 176.3 | 43.6 | 0 | 0 | 121.3 | ||||
| 235 | S | 26.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | cis | -175.4 | 178 | -18.2 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 236 | L | 27.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | 88.6 | 139.5 | 162.4 | -50.4 | 178.7 | 0 | 0 | 0 | 120.5 | ||||
| 237 | S | 29.3 | Very low | 28.9 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -113.7 | 163.3 | 173 | 55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 238 | P | 35.4 | Very low | 28.5 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | -150.6 | -158.1 | 113.2 | 37.4 | -17.4 | 0 | 0 | 0 | 115.6 | |||||
| 239 | R | 27.3 | Very low | 28.3 | Very low | 220 Ų | 220 | 134.8 Ų | 134.8 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -111.5 | 178.8 | -156.2 | -64 | 177.5 | 161 | -143.4 | -0 | 116.5 | ||||
| 240 | H | 29.6 | Very low | 28 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 83 | 146.4 | 166.4 | -60.3 | 63.3 | 0 | 0 | 0 | 115.1 | ||||
| 241 | G | 23.9 | Very low | 27.8 | Very low | 58 Ų | 58 | 135.3 Ų | 135.3 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | cis | 154.7 | 151.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 242 | S | 28.6 | Very low | 27.5 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | 69.2 | 156.3 | 173.7 | 86.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 243 | D | 24.9 | Very low | 27.5 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -167.8 | 170.7 | -20.2 | -137.7 | -46.5 | 0 | 0 | 0 | 110.4 | ||||
| 244 | L | 27.4 | Very low | 27.3 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 61.1 | 163.1 | 159 | -60.9 | 164.5 | 0 | 0 | 0 | 119.2 | ||||
| 245 | Q | 26.4 | Very low | 27 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | cis | -169.4 | 169.4 | -42.1 | -153.4 | 170.4 | 34.7 | 0 | 0 | 107.8 | ||||
| 246 | S | 27.1 | Very low | 26.9 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 78.9 | 151.2 | 161.2 | -56 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 247 | K | 26.1 | Very low | 26.9 | Very low | 180 Ų | 180 | 136 Ų | 136 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | cis | -170.8 | 178.7 | -33.7 | -137.8 | -177.7 | 175.6 | -164.9 | 0 | 109.3 | ||||
| 248 | D | 23.4 | Very low | 26.8 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | trans | 72.6 | 145.6 | 161.2 | -61 | -3.8 | 0 | 0 | 0 | 118.2 | ||||
| 249 | T | 25.3 | Very low | 26.3 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | cis | 149.4 | 125 | -30.4 | 42.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 250 | S | 27.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 178.9 | 111.9 | 147.6 | 17.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 251 | E | 25.3 | Very low | 26.7 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 78.5 | 100.8 | 54.3 | -68.8 | -160.4 | 152.9 | 0 | 0 | 115.2 | |||||
| 252 | H | 25.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | 179.8 | 127.1 | 112.3 | -94.3 | 61.5 | 0 | 0 | 0 | 108 | |||||
| 253 | Q | 28 | Very low | 27.6 | Very low | 139 Ų | 139 | 135 Ų | 135 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 77.3 | 131.2 | 56.3 | -167 | 179.1 | 107.7 | 0 | 0 | 110.8 | |||||
| 254 | Q | 26.8 | Very low | 27.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -160.6 | 160.6 | -9.5 | -119.2 | 163.7 | 1.4 | 0 | 0 | 107.5 | ||||
| 255 | D | 26.1 | Very low | 28.2 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | -178.5 | 150.3 | 123.5 | -100.8 | -21.4 | 0 | 0 | 0 | 110.5 | |||||
| 256 | G | 24.1 | Very low | 28.6 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -141.5 | 172.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 257 | A | 27 | Very low | 28.6 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -152.3 | 128.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 258 | E | 27.2 | Very low | 29.4 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -78.6 | 147.2 | 177.9 | -59.3 | 173.9 | 112.3 | 0 | 0 | 111.8 | ||||
| 259 | T | 25.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -155.8 | 145.9 | 143.4 | -63.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 260 | N | 31.3 | Very low | 30.5 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 156.1 | -169.8 | -71.1 | -60.7 | 0 | 0 | 0 | 116.9 | ||
| 261 | P | 33.5 | Very low | 30.7 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 139.2 | -174.5 | 30 | -36.2 | 0 | 0 | 0 | 113.1 | ||
| 262 | P | 33.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 146 | 170.1 | 30.1 | -32.8 | 0 | 0 | 0 | 111.6 | ||
| 263 | A | 36.4 | Very low | 32.2 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 156.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 264 | P | 32.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.8 | -176.2 | 26 | -36 | 0 | 0 | 0 | 112.4 | E266 | P264-E266 PolarHBondContact O-N 3.13Š|
| 265 | P | 34.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -67 | 129.2 | -178.7 | 26.7 | -33.9 | 0 | 0 | 0 | 111.7 | R267 | P265-R267 PolarHBondContact O-N 2.94Š|
| 266 | E | 35.3 | Very low | 33.5 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 119.2 | 176.8 | -65 | 175.2 | 128.7 | 0 | 0 | 109.9 | P264 K355 | P264-E266 PolarHBondContact O-N 3.13Å; E266-K355 IonicContact OE2-NZ 3.55Å; E266-K355 PolarHBondContact OE2-NZ 2.88Å |
| 267 | R | 27 | Very low | 33.9 | Very low | 233 Ų | 233 | 134.7 Ų | 134.7 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 129.5 | 175.7 | -66.2 | -180 | 175.2 | -171.1 | -2.2 | 109.6 | P265 | P265-R267 PolarHBondContact O-N 2.94Š|
| 268 | I | 42.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -121.5 | 114.1 | 175.7 | -55.8 | 179.8 | 0 | 0 | 0 | 108.9 | ||||
| 269 | D | 34.1 | Very low | 34 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -107.5 | 118.6 | -173 | -83.9 | -45.8 | 0 | 0 | 0 | 112.1 | ||||
| 270 | L | 38.5 | Very low | 34.4 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 39% | 0.393 | 73% | 0.73 | S | S | . | * | trans | -150.4 | 125.8 | 172.2 | -71.4 | 178.1 | 0 | 0 | 0 | 113.7 | L288 T290 P359 | L270-L288 CarbonylContact C-O 3.48Å; L270-L288 VanDerWaalsContact C-O 3.29Å; L270-L288 HydrophobicContact CB-CD2 3.87Å; L270-L288 HydrophobicContact CD1-CD2 3.99Å; L270-L288 HydrophobicContact CG-CD2 4.44Å; L270-T290 VanDerWaalsContact O-CA 3.31Å; L270-T290 WeakPolarHBondContact O-CA 3.5Å; L270-T290 WeakPolarHBondContact O-CB 3.29Å; L270-T290 VanDerWaalsContact O-CG2 3.24Å; L270-T290 WeakPolarHBondContact O-CG2 3.21Å; L270-T290 PolarHBondContact O-N 2.92Å; L270-T290 VanDerWaalsContact O-N 3.09Å; L270-T290 PolarHBondContact O-OG1 3.3Å; L270-P359 HydrophobicContact CD1-CB 4.32Å; L270-P359 HydrophobicContact CD1-CG 4.2Å | ||
| 271 | N | 31.2 | Very low | 34.2 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 53% | 0.529 | 73% | 0.731 | S | S | . | * | trans | -118.8 | 131 | -161.5 | -107.7 | -69 | 0 | 0 | 0 | 117.9 | L288 | N271-L288 CarbonylContact C-O 3.59Å; N271-L288 WeakPolarHBondContact CA-O 3.44Å; N271-L288 PolarHBondContact N-O 3.1Å; N271-L288 VanDerWaalsContact N-O 3.07Å; N271-L288 CarbonylContact O-C 3.56Å; N271-L288 PolarHBondContact O-N 3Å | ||
| 272 | Q | 46.2 | Very low | 34.1 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 39% | 0.388 | 73% | 0.732 | S | S | . | * | trans | 103.5 | 94.9 | 143.2 | 45.2 | 152.8 | -41.9 | 0 | 0 | 126.1 | K287 L288 L289 | Q272-K287 HydrophobicContact CB-CD 4.36Å; Q272-K287 CarbonylContact O-C 3.57Å; Q272-K287 VanDerWaalsContact O-CA 3.28Å; Q272-K287 WeakPolarHBondContact O-CA 3.29Å; Q272-K287 WeakPolarHBondContact O-CB 3.31Å; Q272-K287 VanDerWaalsContact O-CD 3.24Å; Q272-K287 WeakPolarHBondContact O-CD 3.08Å; Q272-K287 WeakPolarHBondContact O-CG 3.01Å; Q272-L288 PolarHBondContact N-O 2.88Å; Q272-L288 PolarHBondContact O-N 3.07Å; Q272-L288 VanDerWaalsContact O-N 3.1Å; Q272-L289 HydrophobicContact CB-CD2 4.23Å; Q272-L289 HydrophobicContact CB-CG 3.98Å; Q272-L289 VanDerWaalsContact N-CA 3.3Å | ||
| 273 | Q | 36.1 | Very low | 33.9 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | 99 | -175.5 | 140.1 | -124.9 | 149.7 | -2.2 | 0 | 0 | 120.9 | K287 L289 | Q273-K287 HydrophobicContact CB-CD 4.42Å; Q273-L289 VanDerWaalsContact N-CD1 3.3Å | ||
| 274 | I | 42.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -141.1 | 135.1 | -163.6 | -63.7 | 165.5 | 0 | 0 | 0 | 111.6 | ||||
| 275 | G | 33 | Very low | 34.2 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | -89 | 125.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 276 | R | 33.3 | Very low | 34.2 | Very low | 245 Ų | 245 | 134 Ų | 134 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -72 | 149.5 | 159.9 | -88.4 | -177.3 | 171.2 | -174.7 | -2.1 | 110.3 | ||||
| 277 | L | 31.5 | Very low | 34.2 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 93% | 0.927 | 74% | 0.739 | S | S | * | * | trans | -84.1 | 114.6 | 164.3 | -65.1 | 175.1 | 0 | 0 | 0 | 109.8 | ||||
| 278 | S | 28.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -140.1 | 153.2 | 161 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 279 | G | 29.6 | Very low | 34.3 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | -63 | 157.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 280 | A | 32.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 90% | 0.901 | 69% | 0.691 | S | S | * | * | trans | -57.1 | 132 | -169 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 281 | S | 27.8 | Very low | 34.4 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | -162.8 | 131.3 | 123.3 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 282 | A | 31.8 | Very low | 34.4 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | trans | 41.8 | 146.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 283 | A | 28.1 | Very low | 34.4 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | 80.1 | 96.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 284 | K | 40.6 | Very low | 34.6 | Very low | 215 Ų | 215 | 121 Ų | 121 | 94% | 0.935 | 73% | 0.727 | S | S | * | * | trans | -8.4 | 116.1 | 151.9 | -62.5 | 173.6 | 176.2 | 179.1 | 0 | 117.8 | ||||
| 285 | S | 35.8 | Very low | 35.3 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | -173.9 | 96.4 | 121.9 | -169 | 0 | 0 | 0 | 0 | 109.7 | K287 | S285-K287 PolarHBondContact O-N 3.41Š| |||
| 286 | E | 33.4 | Very low | 36.7 | Very low | 200 Ų | 200 | 121.2 Ų | 121.2 | 94% | 0.935 | 70% | 0.704 | S | S | * | * | trans | -81.2 | 108.8 | 168.9 | -71.1 | -165.5 | 154.8 | 0 | 0 | 108.8 | ||||
| 287 | K | 35.7 | Very low | 38.2 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 45% | 0.448 | 69% | 0.69 | S | S | . | * | trans | -90.7 | 145.8 | -177.1 | -162.6 | -158 | 167.9 | -168.5 | 0 | 107.2 | Q272 Q273 S285 | Q272-K287 HydrophobicContact CB-CD 4.36Å; Q272-K287 CarbonylContact O-C 3.57Å; Q272-K287 VanDerWaalsContact O-CA 3.28Å; Q272-K287 WeakPolarHBondContact O-CA 3.29Å; Q272-K287 WeakPolarHBondContact O-CB 3.31Å; Q272-K287 VanDerWaalsContact O-CD 3.24Å; Q272-K287 WeakPolarHBondContact O-CD 3.08Å; Q272-K287 WeakPolarHBondContact O-CG 3.01Å; Q273-K287 HydrophobicContact CB-CD 4.42Å; S285-K287 PolarHBondContact O-N 3.41Å | ||
| 288 | L | 33.7 | Very low | 40.2 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 42% | 0.424 | 65% | 0.653 | S | S | . | * | trans | -135.9 | 100.6 | -155.2 | -170.5 | 139.1 | 0 | 0 | 0 | 115.2 | L270 N271 Q272 | L270-L288 CarbonylContact C-O 3.48Å; L270-L288 VanDerWaalsContact C-O 3.29Å; L270-L288 HydrophobicContact CB-CD2 3.87Å; L270-L288 HydrophobicContact CD1-CD2 3.99Å; L270-L288 HydrophobicContact CG-CD2 4.44Å; N271-L288 CarbonylContact C-O 3.59Å; N271-L288 WeakPolarHBondContact CA-O 3.44Å; N271-L288 PolarHBondContact N-O 3.1Å; N271-L288 VanDerWaalsContact N-O 3.07Å; N271-L288 CarbonylContact O-C 3.56Å; N271-L288 PolarHBondContact O-N 3Å; Q272-L288 PolarHBondContact N-O 2.88Å; Q272-L288 PolarHBondContact O-N 3.07Å; Q272-L288 VanDerWaalsContact O-N 3.1Å | ||
| 289 | L | 37.1 | Very low | 42.8 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | trans | -63.7 | 133.3 | -168 | -110.8 | 158.1 | 0 | 0 | 0 | 117.5 | Q272 Q273 | Q272-L289 HydrophobicContact CB-CD2 4.23Å; Q272-L289 HydrophobicContact CB-CG 3.98Å; Q272-L289 VanDerWaalsContact N-CA 3.3Å; Q273-L289 VanDerWaalsContact N-CD1 3.3Å | ||
| 290 | T | 36.3 | Very low | 45.2 | Very low | 57 Ų | 57 | 105.6 Ų | 105.6 | 35% | 0.35 | 62% | 0.622 | S | S | . | * | trans | -78.6 | 148 | 170 | -8 | 0 | 0 | 0 | 0 | 112.1 | L270 | L270-T290 VanDerWaalsContact O-CA 3.31Å; L270-T290 WeakPolarHBondContact O-CA 3.5Å; L270-T290 WeakPolarHBondContact O-CB 3.29Å; L270-T290 VanDerWaalsContact O-CG2 3.24Å; L270-T290 WeakPolarHBondContact O-CG2 3.21Å; L270-T290 PolarHBondContact O-N 2.92Å; L270-T290 VanDerWaalsContact O-N 3.09Å; L270-T290 PolarHBondContact O-OG1 3.3Å | ||
| 291 | V | 38 | Very low | 47.5 | Very low | 58 Ų | 58 | 107.4 Ų | 107.4 | 35% | 0.352 | 61% | 0.612 | S | S | . | * | trans | -109 | 115.1 | 157.7 | 176.8 | 0 | 0 | 0 | 0 | 107.1 | I295 I342 A343 | V291-I295 HydrophobicContact CG1-CD1 4.24Å; V291-I342 HydrophobicContact CG2-CB 4.43Å; V291-I342 HydrophobicContact CG2-CG2 3.99Å; V291-A343 HydrophobicContact CG1-CB 3.93Å | ||
| 292 | S | 30.2 | Very low | 50.2 | Low | 124 Ų | 124 | 105.8 Ų | 105.8 | 87% | 0.867 | 59% | 0.591 | S | S | * | * | trans | -102.1 | 128.4 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 293 | G | 46.2 | Very low | 52.7 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 57% | 0.567 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 162.1 | 163.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I295 | G293-I295 PolarHBondContact O-N 2.54Š|
| 294 | E | 42.2 | Very low | 55.4 | Low | 183 Ų | 183 | 101.2 Ų | 101.2 | 86% | 0.855 | 54% | 0.539 | S | S | * | . | trans | -70.1 | 89.8 | 173.4 | -67.4 | -178.8 | 176.6 | 0 | 0 | 110.5 | K296 | E294-K296 PolarHBondContact O-N 3.09Å; E294-K296 VanDerWaalsContact O-N 3.12Å | ||
| 295 | I | 56.3 | Low | 57.5 | Low | 57 Ų | 57 | 97.3 Ų | 97.3 | 29% | 0.292 | 53% | 0.529 | S | S | . | . | trans | -80.3 | 96 | 176.3 | -54.3 | -175.4 | 0 | 0 | 0 | 108.8 | V291 G293 T297 V346 A347 | V291-I295 HydrophobicContact CG1-CD1 4.24Å; G293-I295 PolarHBondContact O-N 2.54Å; I295-T297 PolarHBondContact O-N 3.41Å; I295-T297 VanDerWaalsContact O-N 3.17Å; I295-V346 HydrophobicContact CD1-CB 4.01Å; I295-V346 HydrophobicContact CD1-CG1 3.48Å; I295-V346 VanDerWaalsContact CD1-CG1 3.48Å; I295-A347 HydrophobicContact CG2-CB 3.81Å | ||
| 296 | K | 61.6 | Low | 59.9 | Low | 170 Ų | 170 | 95.6 Ų | 95.6 | 74% | 0.739 | 51% | 0.511 | S | S | * | . | trans | -62.8 | 113.8 | 168.4 | -64.2 | -178 | -179.4 | -178.8 | 0 | 109 | E294 L298 | E294-K296 PolarHBondContact O-N 3.09Å; E294-K296 VanDerWaalsContact O-N 3.12Å; K296-L298 PolarHBondContact O-N 3.22Å | ||
| 297 | T | 64.9 | Low | 62.6 | Low | 100 Ų | 100 | 89.7 Ų | 89.7 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 117.1 | 174.8 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | I295 | I295-T297 PolarHBondContact O-N 3.41Å; I295-T297 VanDerWaalsContact O-N 3.17Å |
| 298 | L | 74.6 | Confident | 65.1 | Low | 29 Ų | 29 | 86.5 Ų | 86.5 | 15% | 0.152 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 125.3 | 179.1 | -62.9 | 170.7 | 0 | 0 | 0 | 109.9 | K296 E302 I303 L348 R351 | K296-L298 PolarHBondContact O-N 3.22Å; L298-E302 WeakPolarHBondContact CD2-OE2 3.36Å; L298-I303 HydrophobicContact CB-CG1 4.45Å; L298-L348 HydrophobicContact CD1-CD2 3.81Å; L298-L348 HydrophobicContact CD1-CG 4.39Å; L298-R351 PolarHBondContact O-NH1 2.9Å; L298-R351 PolarHBondContact O-NH2 2.82Å |
| 299 | P | 81 | Confident | 67.7 | Low | 74 Ų | 74 | 85.1 Ų | 85.1 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 154.9 | 178.8 | 28 | -34.5 | 0 | 0 | 0 | 111.7 | E301 E302 I303 | P299-E301 VanDerWaalsContact C-N 3.25Å; P299-E301 PolarHBondContact O-N 3.4Å; P299-E302 WeakPolarHBondContact CD-OE2 3.39Å; P299-E302 HydrophobicContact CG-CB 3.88Å; P299-E302 PolarHBondContact O-N 2.91Å; P299-E302 VanDerWaalsContact O-N 3.13Å; P299-I303 PolarHBondContact O-N 3.2Å |
| 300 | D | 80.9 | Confident | 70 | Confident | 80 Ų | 80 | 82.8 Ų | 82.8 | 43% | 0.428 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.6 | -38.1 | -177.8 | -69.4 | -17.2 | 0 | 0 | 0 | 112.1 | E302 I303 L304 R351 L389 | D300-E302 VanDerWaalsContact C-N 3.34Å; D300-E302 PolarHBondContact O-N 2.92Å; D300-I303 PolarHBondContact O-N 2.83Å; D300-L304 WeakPolarHBondContact O-CG 3.42Å; D300-L304 PolarHBondContact O-N 3.42Å; D300-R351 IonicContact OD1-CZ 3.35Å; D300-R351 IonicContact OD1-NH1 3.55Å; D300-R351 PolarHBondContact OD1-NH1 3.43Å; D300-L389 HydrophobicContact CB-CD1 4.26Å |
| 301 | E | 81.2 | Confident | 72.3 | Confident | 148 Ų | 148 | 86.4 Ų | 86.4 | 69% | 0.692 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | 177 | -61 | -173 | -178.2 | 0 | 0 | 112.7 | P299 I303 L304 N305 | P299-E301 VanDerWaalsContact C-N 3.25Å; P299-E301 PolarHBondContact O-N 3.4Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.94Å; E301-L304 PolarHBondContact O-N 2.98Å; E301-N305 VanDerWaalsContact O-CB 3.27Å; E301-N305 WeakPolarHBondContact O-CB 3.41Å; E301-N305 PolarHBondContact O-N 3.46Å; E301-N305 PolarHBondContact O-ND2 3.36Å; E301-N305 VanDerWaalsContact O-ND2 3.08Å |
| 302 | E | 83.5 | Confident | 74.6 | Confident | 80 Ų | 80 | 84.4 Ų | 84.4 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 178.8 | -174.5 | 179.8 | 172.6 | 0 | 0 | 111.6 | L298 P299 D300 N306 | L298-E302 WeakPolarHBondContact CD2-OE2 3.36Å; P299-E302 WeakPolarHBondContact CD-OE2 3.39Å; P299-E302 HydrophobicContact CG-CB 3.88Å; P299-E302 PolarHBondContact O-N 2.91Å; P299-E302 VanDerWaalsContact O-N 3.13Å; D300-E302 VanDerWaalsContact C-N 3.34Å; D300-E302 PolarHBondContact O-N 2.92Å; E302-N306 WeakPolarHBondContact O-CB 3.36Å; E302-N306 PolarHBondContact O-N 3.17Å; E302-N306 PolarHBondContact O-ND2 3.1Å |
| 303 | I | 84.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 175.9 | -67.6 | -176.2 | 0 | 0 | 0 | 111 | L298 P299 D300 E301 N306 R307 L348 R351 L389 Y393 | L298-I303 HydrophobicContact CB-CG1 4.45Å; P299-I303 PolarHBondContact O-N 3.2Å; D300-I303 PolarHBondContact O-N 2.83Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.94Å; I303-N306 CarbonylContact O-C 3.51Å; I303-N306 PolarHBondContact O-N 3.11Å; I303-R307 PolarHBondContact O-N 3.09Å; I303-L348 HydrophobicContact CD1-CD2 3.57Å; I303-L348 HydrophobicContact CG1-CD2 4.1Å; I303-R351 VanDerWaalsContact CD1-CZ 3.43Å; I303-R351 VanDerWaalsContact CD1-NH2 3.26Å; I303-L389 HydrophobicContact CB-CD2 4.27Å; I303-L389 HydrophobicContact CD1-CD2 3.8Å; I303-L389 HydrophobicContact CG2-CD2 3.87Å; I303-L389 VanDerWaalsContact CG2-O 3.32Å; I303-L389 WeakPolarHBondContact CG2-O 3.41Å; I303-Y393 HydrophobicContact CB-CD2 4.1Å; I303-Y393 HydrophobicContact CB-CE2 4.46Å; I303-Y393 HydrophobicContact CG1-CD2 4.04Å; I303-Y393 HydrophobicContact CG1-CE2 4.04Å; I303-Y393 HydrophobicContact CG2-CD2 3.86Å; I303-Y393 HydrophobicContact CG2-CG 4.34Å |
| 304 | L | 84.4 | Confident | 79.3 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 179.4 | -67.3 | 172.7 | 0 | 0 | 0 | 111.7 | D300 E301 N306 R307 | D300-L304 WeakPolarHBondContact O-CG 3.42Å; D300-L304 PolarHBondContact O-N 3.42Å; E301-L304 PolarHBondContact O-N 2.98Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.32Å; L304-R307 WeakPolarHBondContact O-CB 3.48Å; L304-R307 PolarHBondContact O-N 3.06Å |
| 305 | N | 85 | Confident | 81.6 | Confident | 133 Ų | 133 | 77.3 Ų | 77.3 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68 | -28.1 | 177.8 | -70.9 | -27.2 | 0 | 0 | 0 | 113.4 | E301 | E301-N305 VanDerWaalsContact O-CB 3.27Å; E301-N305 WeakPolarHBondContact O-CB 3.41Å; E301-N305 PolarHBondContact O-N 3.46Å; E301-N305 PolarHBondContact O-ND2 3.36Å; E301-N305 VanDerWaalsContact O-ND2 3.08Å |
| 306 | N | 86.7 | Confident | 83 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 15.2 | 179.1 | -71.1 | -73.1 | 0 | 0 | 0 | 113.7 | E302 I303 L304 Y393 R394 | E302-N306 WeakPolarHBondContact O-CB 3.36Å; E302-N306 PolarHBondContact O-N 3.17Å; E302-N306 PolarHBondContact O-ND2 3.1Å; I303-N306 CarbonylContact O-C 3.51Å; I303-N306 PolarHBondContact O-N 3.11Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.32Å; N306-Y393 HydrophobicContact CB-CD2 4.18Å; N306-Y393 HydrophobicContact CB-CE2 3.93Å; N306-R394 WeakPolarHBondContact O-CB 3.37Å; N306-R394 WeakPolarHBondContact O-CG 3.43Å; N306-R394 PolarHBondContact O-N 3.3Å |
| 307 | R | 90.1 | Very high | 84.1 | Confident | 76 Ų | 76 | 73 Ų | 73 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 135.4 | 179.4 | 173.2 | 170.6 | 175.8 | 163.1 | 2.9 | 111.8 | I303 L304 D310 R388 H391 | I303-R307 PolarHBondContact O-N 3.09Å; L304-R307 WeakPolarHBondContact O-CB 3.48Å; L304-R307 PolarHBondContact O-N 3.06Å; R307-D310 IonicContact CZ-OD1 2.96Å; R307-D310 IonicContact NH2-OD1 2.65Å; R307-D310 PolarHBondContact NH2-OD1 3.18Å; R307-R388 PolarHBondContact NH1-O 3.16Å; R307-H391 WeakPolarHBondContact CD-O 3.19Å; R307-H391 WeakPolarHBondContact CG-O 3.42Å; R307-H391 VanDerWaalsContact CZ-O 3.26Å; R307-H391 PolarHBondContact NE-O 2.83Å |
| 308 | E | 89.3 | Confident | 85.1 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 16% | 0.164 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 140.9 | 164.6 | -172.8 | 54.7 | -100 | 0 | 0 | 111.8 | I313 G392 R394 P399 | E308-I313 HydrophobicContact CB-CG1 4.22Å; E308-I313 HydrophobicContact CG-CG1 3.96Å; E308-G392 WeakPolarHBondContact CB-O 3.11Å; E308-G392 PolarHBondContact N-O 2.92Å; E308-R394 HydrophobicContact CB-CG 4.5Å; E308-R394 IonicContact OE2-CZ 3.33Å; E308-R394 VanDerWaalsContact OE2-CZ 3.31Å; E308-R394 IonicContact OE2-NE 3.21Å; E308-R394 PolarHBondContact OE2-NE 3.4Å; E308-R394 VanDerWaalsContact OE2-NE 3.12Å; E308-R394 IonicContact OE2-NH2 3.77Å; E308-R394 PolarHBondContact OE2-NH2 3.21Å; E308-P399 HydrophobicContact CB-CB 3.63Å; E308-P399 HydrophobicContact CB-CG 4.43Å; E308-P399 HydrophobicContact CG-CB 4.11Å; E308-P399 HydrophobicContact CG-CG 4.41Å |
| 309 | S | 88.3 | Confident | 85.7 | Confident | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 147.3 | 173.4 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | E311 G312 I313 | S309-E311 PolarHBondContact O-N 2.9Å; S309-G312 WeakPolarHBondContact O-CA 3.01Å; S309-G312 PolarHBondContact O-N 3.12Å; S309-G312 WeakPolarHBondContact OG-CA 2.92Å; S309-G312 PolarHBondContact OG-N 2.89Å; S309-I313 WeakPolarHBondContact O-CG1 3.24Å; S309-I313 PolarHBondContact O-N 3.13Å |
| 310 | D | 84.9 | Confident | 86 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.5 | -30.6 | 177.4 | -74.3 | 17.2 | 0 | 0 | 0 | 110.7 | R307 R314 H391 | R307-D310 IonicContact CZ-OD1 2.96Å; R307-D310 IonicContact NH2-OD1 2.65Å; R307-D310 PolarHBondContact NH2-OD1 3.18Å; D310-R314 WeakPolarHBondContact O-CB 3.31Å; D310-R314 VanDerWaalsContact O-CG 3.29Å; D310-R314 WeakPolarHBondContact O-CG 3.24Å; D310-R314 PolarHBondContact O-N 2.9Å; D310-H391 IonicContact OD1-CD2 2.67Å |
| 311 | E | 84.3 | Confident | 86.3 | Confident | 133 Ų | 133 | 83.3 Ų | 83.3 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.5 | -46.1 | 169.6 | -65 | 66.8 | -145.4 | 0 | 0 | 111.9 | S309 I313 R314 S315 | S309-E311 PolarHBondContact O-N 2.9Å; E311-I313 VanDerWaalsContact C-N 3.31Å; E311-I313 PolarHBondContact O-N 3.28Å; E311-R314 PolarHBondContact O-N 3.08Å; E311-S315 PolarHBondContact O-N 2.92Å |
| 312 | G | 85.9 | Confident | 86.6 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S309 S315 | S309-G312 WeakPolarHBondContact O-CA 3.01Å; S309-G312 PolarHBondContact O-N 3.12Å; S309-G312 WeakPolarHBondContact OG-CA 2.92Å; S309-G312 PolarHBondContact OG-N 2.89Å; G312-S315 WeakPolarHBondContact O-CB 3.38Å; G312-S315 PolarHBondContact O-N 2.89Å; G312-S315 PolarHBondContact O-OG 3.42Å |
| 313 | I | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 173.9 | -62.8 | 168.5 | 0 | 0 | 0 | 110.9 | E308 S309 E311 S315 M316 F319 H391 V401 | E308-I313 HydrophobicContact CB-CG1 4.22Å; E308-I313 HydrophobicContact CG-CG1 3.96Å; S309-I313 WeakPolarHBondContact O-CG1 3.24Å; S309-I313 PolarHBondContact O-N 3.13Å; E311-I313 VanDerWaalsContact C-N 3.31Å; E311-I313 PolarHBondContact O-N 3.28Å; I313-S315 VanDerWaalsContact C-N 3.27Å; I313-S315 PolarHBondContact O-N 3.27Å; I313-M316 WeakPolarHBondContact O-CB 3.28Å; I313-M316 WeakPolarHBondContact O-CG 3.11Å; I313-M316 PolarHBondContact O-N 3.05Å; I313-M316 VanDerWaalsContact O-N 3.16Å; I313-F319 HydrophobicContact CG2-CB 4.23Å; I313-H391 VanDerWaalsContact CD1-CE1 3.42Å; I313-H391 WeakPolarHBondContact CD1-CE1 3.38Å; I313-V401 HydrophobicContact CG2-CG2 3.76Å |
| 314 | R | 87.8 | Confident | 86.7 | Confident | 121 Ų | 121 | 83 Ų | 83 | 46% | 0.457 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -25.8 | 177.6 | -73.5 | 173.1 | -176.4 | 168.8 | 6.8 | 113.3 | D310 E311 M316 Q320 | D310-R314 WeakPolarHBondContact O-CB 3.31Å; D310-R314 VanDerWaalsContact O-CG 3.29Å; D310-R314 WeakPolarHBondContact O-CG 3.24Å; D310-R314 PolarHBondContact O-N 2.9Å; E311-R314 PolarHBondContact O-N 3.08Å; R314-M316 PolarHBondContact O-N 3.26Å; R314-Q320 WeakPolarHBondContact O-CA 3.39Å; R314-Q320 VanDerWaalsContact O-CG 3.27Å; R314-Q320 WeakPolarHBondContact O-CG 3.27Å |
| 315 | S | 88.9 | Confident | 86.9 | Confident | 91 Ų | 91 | 80.8 Ų | 80.8 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.4 | -27 | 174.1 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | E311 G312 I313 A317 | E311-S315 PolarHBondContact O-N 2.92Å; G312-S315 WeakPolarHBondContact O-CB 3.38Å; G312-S315 PolarHBondContact O-N 2.89Å; G312-S315 PolarHBondContact O-OG 3.42Å; I313-S315 VanDerWaalsContact C-N 3.27Å; I313-S315 PolarHBondContact O-N 3.27Å; S315-A317 PolarHBondContact O-N 2.86Å |
| 316 | M | 87.5 | Confident | 87.1 | Confident | 55 Ų | 55 | 80 Ų | 80 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -69.5 | 122.3 | 178.6 | -54.6 | -172.2 | 78.3 | 0 | 0 | 110.4 | I313 R314 R318 F319 Q320 P399 | I313-M316 WeakPolarHBondContact O-CB 3.28Å; I313-M316 WeakPolarHBondContact O-CG 3.11Å; I313-M316 PolarHBondContact O-N 3.05Å; I313-M316 VanDerWaalsContact O-N 3.16Å; R314-M316 PolarHBondContact O-N 3.26Å; M316-R318 PolarHBondContact O-N 3.46Å; M316-F319 HydrophobicContact CB-CB 4.47Å; M316-F319 HydrophobicContact CB-CD2 3.96Å; M316-F319 CarbonylContact O-C 3.54Å; M316-F319 PolarHBondContact O-N 3.29Å; M316-F319 HydrophobicContact SD-CD2 3.96Å; M316-F319 HydrophobicContact SD-CE2 4.35Å; M316-Q320 PolarHBondContact O-N 3.39Å; M316-P399 HydrophobicContact SD-CG 4.02Å |
| 317 | A | 82.9 | Confident | 87.3 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 68% | 0.678 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S315 | S315-A317 PolarHBondContact O-N 2.86Š|
| 318 | R | 86.6 | Confident | 87.4 | Confident | 210 Ų | 210 | 77.8 Ų | 77.8 | 79% | 0.792 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.5 | 177.2 | -71 | -174.2 | -76.6 | -126.9 | -2.8 | 114.7 | M316 | M316-R318 PolarHBondContact O-N 3.46Š|
| 319 | F | 88.1 | Confident | 87.5 | Confident | 23 Ų | 23 | 80 Ų | 80 | 10% | 0.101 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 10.8 | -172.8 | -56.2 | -61.7 | 0 | 0 | 0 | 113.6 | I313 M316 N321 Y322 K334 N335 V401 | I313-F319 HydrophobicContact CG2-CB 4.23Å; M316-F319 HydrophobicContact CB-CB 4.47Å; M316-F319 HydrophobicContact CB-CD2 3.96Å; M316-F319 CarbonylContact O-C 3.54Å; M316-F319 PolarHBondContact O-N 3.29Å; M316-F319 HydrophobicContact SD-CD2 3.96Å; M316-F319 HydrophobicContact SD-CE2 4.35Å; F319-N321 PolarHBondContact O-N 2.89Å; F319-Y322 WeakPolarHBondContact O-CB 3.38Å; F319-Y322 PolarHBondContact O-N 3.42Å; F319-K334 HydrophobicContact CE1-CB 4.31Å; F319-K334 HydrophobicContact CE1-CD 4.36Å; F319-K334 HydrophobicContact CZ-CB 4.42Å; F319-N335 HydrophobicContact CE2-CB 3.82Å; F319-N335 HydrophobicContact CZ-CB 3.82Å; F319-V401 HydrophobicContact CD1-CB 4.31Å; F319-V401 HydrophobicContact CD1-CG1 3.91Å; F319-V401 HydrophobicContact CD1-CG2 4.09Å; F319-V401 HydrophobicContact CD2-CG2 3.86Å; F319-V401 HydrophobicContact CE1-CB 4.15Å; F319-V401 HydrophobicContact CE1-CG1 4.1Å; F319-V401 HydrophobicContact CE1-CG2 4.11Å; F319-V401 HydrophobicContact CE2-CG2 3.89Å; F319-V401 HydrophobicContact CG-CG1 4.42Å; F319-V401 HydrophobicContact CG-CG2 3.97Å; F319-V401 HydrophobicContact CZ-CB 4.37Å; F319-V401 HydrophobicContact CZ-CG2 4.03Å |
| 320 | Q | 86.9 | Confident | 87.6 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -41.4 | 174.8 | -71.1 | 174.7 | -8.1 | 0 | 0 | 113 | R314 M316 | R314-Q320 WeakPolarHBondContact O-CA 3.39Å; R314-Q320 VanDerWaalsContact O-CG 3.27Å; R314-Q320 WeakPolarHBondContact O-CG 3.27Å; M316-Q320 PolarHBondContact O-N 3.39Å |
| 321 | N | 87.4 | Confident | 88.1 | Confident | 153 Ų | 153 | 76.2 Ų | 76.2 | 82% | 0.818 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 28.2 | 178.6 | -61.5 | -44.7 | 0 | 0 | 0 | 112.8 | F319 Q323 | F319-N321 PolarHBondContact O-N 2.89Å; N321-Q323 PolarHBondContact O-N 3.37Å |
| 322 | Y | 88.1 | Confident | 88.5 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 7% | 0.071 | 38% | 0.375 | C | S | . | . | trans | -61.2 | 130.6 | 177.9 | 162.8 | -102.4 | 0 | 0 | 0 | 111.3 | F319 P324 H391 V401 V402 E403 | F319-Y322 WeakPolarHBondContact O-CB 3.38Å; F319-Y322 PolarHBondContact O-N 3.42Å; Y322-P324 HydrophobicContact CE1-CG 4.27Å; Y322-H391 AromaticContact CD1-NE2 3.98Å; Y322-H391 AromaticContact CE1-CE1 3.53Å; Y322-H391 AromaticContact CE1-NE2 3.1Å; Y322-H391 WeakPolarHBondContact CE1-NE2 3.47Å; Y322-H391 AromaticContact CE2-CE1 3.94Å; Y322-H391 AromaticContact CZ-CE1 3.32Å; Y322-H391 AromaticContact CZ-NE2 3.3Å; Y322-H391 VanDerWaalsContact CZ-NE2 3.3Å; Y322-H391 PolarHBondContact OH-CE1 2.93Å; Y322-H391 VanDerWaalsContact OH-CE1 3.27Å; Y322-H391 PolarHBondContact OH-NE2 2.98Å; Y322-V401 HydrophobicContact CD2-CG1 3.47Å; Y322-V401 VanDerWaalsContact CD2-CG1 3.47Å; Y322-V401 HydrophobicContact CE2-CG1 3.66Å; Y322-V401 HydrophobicContact CG-CG1 4.24Å; Y322-V402 PolarHBondContact OH-O 2.86Å; Y322-E403 HydrophobicContact CD2-CG 3.92Å; Y322-E403 HydrophobicContact CE2-CG 3.57Å | ||
| 323 | Q | 85.6 | Confident | 88.8 | Confident | 150 Ų | 150 | 69.6 Ų | 69.6 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | trans | -136.1 | 132.6 | 172.8 | -65.5 | -176.5 | -5.8 | 0 | 0 | 108.1 | N321 G325 | N321-Q323 PolarHBondContact O-N 3.37Å; Q323-G325 PolarHBondContact O-N 2.95Å; Q323-G325 VanDerWaalsContact O-N 3.13Å | ||
| 324 | P | 84.6 | Confident | 89 | Confident | 53 Ų | 53 | 72 Ų | 72 | 34% | 0.344 | 38% | 0.378 | S | S | . | . | trans | -57 | -27.9 | 178.1 | -27.6 | 34.8 | 0 | 0 | 0 | 114.1 | Y322 L387 F404 | Y322-P324 HydrophobicContact CE1-CG 4.27Å; P324-L387 HydrophobicContact CB-CD1 4.17Å; P324-L387 HydrophobicContact CB-CD2 4.38Å; P324-F404 HydrophobicContact CB-CD2 4.3Å; P324-F404 HydrophobicContact CB-CE2 4.39Å; P324-F404 WeakPolarHBondContact O-CB 3.4Å; P324-F404 VanDerWaalsContact O-CD2 3.28Å; P324-F404 WeakPolarHBondContact O-CD2 3.3Å; P324-F404 PolarHBondContact O-N 2.88Å | ||
| 325 | G | 88.6 | Confident | 89.2 | Confident | 51 Ų | 51 | 67 Ų | 67 | 53% | 0.526 | 36% | 0.36 | S | S | . | . | trans | 88.3 | -169.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q323 | Q323-G325 PolarHBondContact O-N 2.95Å; Q323-G325 VanDerWaalsContact O-N 3.13Å | ||
| 326 | K | 89.3 | Confident | 89.4 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -73.9 | 140.3 | 174.2 | -73.5 | -178.4 | 167.4 | -172.7 | 0 | 110.2 | S328 F404 E410 | K326-S328 PolarHBondContact O-N 3.32Å; K326-F404 WeakPolarHBondContact O-CB 3.41Å; K326-F404 WeakPolarHBondContact O-CD2 3.43Å; K326-F404 WeakPolarHBondContact O-CG 3.47Å; K326-E410 WeakPolarHBondContact CD-OE1 3.28Å; K326-E410 IonicContact NZ-OE1 2.89Å; K326-E410 PolarHBondContact NZ-OE1 3.3Å; K326-E410 IonicContact NZ-OE2 3.91Å; K326-E410 PolarHBondContact NZ-OE2 3.08Å |
| 327 | P | 91 | Very high | 89.4 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | trans | -57 | 134.2 | 176.6 | 25.5 | -34.3 | 0 | 0 | 0 | 111.5 | F404 | P327-F404 HydrophobicContact CB-CE1 4.49Å; P327-F404 HydrophobicContact CB-CE2 4.34Å; P327-F404 HydrophobicContact CB-CZ 4.19Å | ||
| 328 | S | 91.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | trans | -151.9 | 150.5 | -174.4 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | K326 V330 A383 F404 G405 | K326-S328 PolarHBondContact O-N 3.32Å; S328-V330 PolarHBondContact O-N 2.75Å; S328-V330 PolarHBondContact OG-N 2.86Å; S328-A383 WeakPolarHBondContact O-CB 3.44Å; S328-F404 VanDerWaalsContact N-CD1 3.34Å; S328-F404 WeakPolarHBondContact O-CD1 3.43Å; S328-G405 WeakPolarHBondContact CB-O 3.49Å; S328-G405 PolarHBondContact OG-O 2.91Å | ||
| 329 | K | 90.6 | Very high | 89.3 | Confident | 82 Ų | 82 | 58 Ų | 58 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -67.8 | -16.9 | 174.3 | 69.2 | -166.4 | 174 | -154 | 0 | 113.1 | T376 L377 T380 E407 | K329-T376 HydrophobicContact CG-CG2 4.46Å; K329-L377 PolarHBondContact O-N 3.13Å; K329-T380 HydrophobicContact CB-CG2 4.31Å; K329-E407 VanDerWaalsContact CE-OE1 3.25Å; K329-E407 WeakPolarHBondContact CE-OE1 3.38Å; K329-E407 IonicContact NZ-OE1 3.43Å; K329-E407 PolarHBondContact NZ-OE1 3.38Å |
| 330 | V | 91.8 | Very high | 89.1 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 17% | 0.17 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.1 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | S328 F374 I375 T376 G405 | S328-V330 PolarHBondContact O-N 2.75Å; S328-V330 PolarHBondContact OG-N 2.86Å; V330-F374 HydrophobicContact CG1-CB 4.43Å; V330-F374 HydrophobicContact CG1-CD1 4.14Å; V330-I375 CarbonylContact C-O 2.75Å; V330-I375 WeakPolarHBondContact CA-O 3.41Å; V330-T376 HydrophobicContact CG2-CG2 4.2Å; V330-G405 PolarHBondContact O-N 3.3Å |
| 331 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.7 | 169.8 | -61.9 | -179.5 | 0 | 0 | 0 | 110.6 | F349 F374 I375 L377 A383 A386 L387 V402 E403 F404 | L331-F349 HydrophobicContact CD1-CE1 3.92Å; L331-F374 CarbonylContact O-C 3.53Å; L331-F374 VanDerWaalsContact O-CA 3.27Å; L331-F374 WeakPolarHBondContact O-CA 3.38Å; L331-I375 PolarHBondContact N-O 3.14Å; L331-I375 PolarHBondContact O-N 3.45Å; L331-L377 HydrophobicContact CD1-CD1 3.65Å; L331-L377 HydrophobicContact CG-CD1 4.23Å; L331-A383 HydrophobicContact CD2-CB 4.18Å; L331-A383 HydrophobicContact CG-CB 4.23Å; L331-A386 HydrophobicContact CD1-CB 3.94Å; L331-L387 HydrophobicContact CD2-CB 4.17Å; L331-L387 HydrophobicContact CD2-CD1 4.12Å; L331-V402 HydrophobicContact CB-CG1 4.18Å; L331-V402 HydrophobicContact CD1-CG1 4.08Å; L331-V402 HydrophobicContact CD2-CG1 4.27Å; L331-V402 HydrophobicContact CG-CG1 4.42Å; L331-E403 CarbonylContact C-O 3.59Å; L331-E403 WeakPolarHBondContact CA-O 3.41Å; L331-F404 HydrophobicContact CD2-CD1 3.58Å; L331-F404 HydrophobicContact CD2-CE1 3.86Å; L331-F404 HydrophobicContact CD2-CG 4.45Å |
| 332 | C | 92.8 | Very high | 89 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.4 | 171.3 | -174 | 0 | 0 | 0 | 0 | 108.7 | A373 F374 E403 | C332-A373 CarbonylContact C-O 3.6Å; C332-A373 WeakPolarHBondContact CA-O 3.46Å; C332-F374 HydrophobicContact CB-CD1 3.91Å; C332-F374 HydrophobicContact CB-CE1 3.68Å; C332-F374 VanDerWaalsContact SG-CE1 3.56Å; C332-E403 HydrophobicContact CB-CB 4.49Å; C332-E403 PolarHBondContact N-O 3.09Å; C332-E403 PolarHBondContact O-N 2.93Å |
| 333 | V | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.3 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | L336 F349 Q372 A373 I375 L400 V402 | V333-L336 HydrophobicContact CB-CD1 4.32Å; V333-L336 HydrophobicContact CG1-CD1 4.04Å; V333-L336 HydrophobicContact CG1-CD2 4.16Å; V333-L336 HydrophobicContact CG1-CG 4Å; V333-F349 HydrophobicContact CG2-CE2 4.35Å; V333-F349 HydrophobicContact CG2-CZ 4.11Å; V333-Q372 CarbonylContact O-C 3.55Å; V333-Q372 VanDerWaalsContact O-CA 3.25Å; V333-Q372 WeakPolarHBondContact O-CA 3.34Å; V333-A373 HydrophobicContact CB-CB 4.45Å; V333-A373 PolarHBondContact N-O 3.39Å; V333-A373 PolarHBondContact O-N 3.32Å; V333-I375 HydrophobicContact CG2-CD1 3.78Å; V333-I375 HydrophobicContact CG2-CG1 4.29Å; V333-L400 HydrophobicContact CG1-CB 4.29Å; V333-L400 HydrophobicContact CG1-CD1 4.26Å; V333-L400 HydrophobicContact CG1-CD2 4.15Å; V333-L400 HydrophobicContact CG1-CG 4.46Å; V333-V402 HydrophobicContact CG1-CG2 4.47Å; V333-V402 HydrophobicContact CG2-CG2 4.39Å |
| 334 | K | 92.4 | Very high | 88.9 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 168.9 | -179.8 | -58.7 | 179.5 | -172.3 | 172.7 | 0 | 110.6 | F319 L336 V401 E403 | F319-K334 HydrophobicContact CE1-CB 4.31Å; F319-K334 HydrophobicContact CE1-CD 4.36Å; F319-K334 HydrophobicContact CZ-CB 4.42Å; K334-L336 PolarHBondContact O-N 3.35Å; K334-V401 HydrophobicContact CB-CB 4.27Å; K334-V401 PolarHBondContact N-O 2.92Å; K334-V401 PolarHBondContact O-N 3.31Å; K334-V401 VanDerWaalsContact O-N 3.09Å; K334-E403 WeakPolarHBondContact CE-OE1 3.43Å; K334-E403 WeakPolarHBondContact CE-OE2 3.43Å; K334-E403 IonicContact NZ-OE1 3.32Å; K334-E403 PolarHBondContact NZ-OE1 3.25Å; K334-E403 IonicContact NZ-OE2 3.38Å; K334-E403 PolarHBondContact NZ-OE2 3.02Å |
| 335 | N | 92.5 | Very high | 89 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 64.3 | 18.4 | -179.2 | -160 | 35.3 | 0 | 0 | 0 | 115.3 | F319 G371 K398 P399 V401 | F319-N335 HydrophobicContact CE2-CB 3.82Å; F319-N335 HydrophobicContact CZ-CB 3.82Å; N335-G371 PolarHBondContact N-O 2.93Å; N335-K398 PolarHBondContact O-NZ 3.29Å; N335-K398 WeakPolarHBondContact OD1-CE 3.24Å; N335-K398 PolarHBondContact OD1-NZ 3.12Å; N335-P399 WeakPolarHBondContact CB-O 3.22Å; N335-P399 PolarHBondContact ND2-O 3.17Å; N335-V401 HydrophobicContact CB-CG2 4.26Å |
| 336 | L | 91.6 | Very high | 89 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -56.9 | 152.4 | 173.7 | -71 | 155.8 | 0 | 0 | 0 | 111.3 | V333 K334 A340 L345 L364 G371 A373 L395 K398 L400 | V333-L336 HydrophobicContact CB-CD1 4.32Å; V333-L336 HydrophobicContact CG1-CD1 4.04Å; V333-L336 HydrophobicContact CG1-CD2 4.16Å; V333-L336 HydrophobicContact CG1-CG 4Å; K334-L336 PolarHBondContact O-N 3.35Å; L336-A340 HydrophobicContact CB-CB 4.44Å; L336-A340 HydrophobicContact CD2-CB 4.27Å; L336-L345 HydrophobicContact CD1-CD1 4.48Å; L336-L345 HydrophobicContact CD2-CD2 3.83Å; L336-L364 HydrophobicContact CD1-CD1 4.11Å; L336-G371 PolarHBondContact N-O 2.89Å; L336-A373 HydrophobicContact CD1-CB 3.7Å; L336-L395 HydrophobicContact CD2-CD2 3.94Å; L336-K398 PolarHBondContact O-NZ 3.32Å; L336-L400 HydrophobicContact CD2-CD2 3.41Å; L336-L400 VanDerWaalsContact CD2-CD2 3.41Å; L336-L400 HydrophobicContact CG-CD2 3.95Å | ||
| 337 | S | 87.8 | Confident | 88.8 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | trans | -67.4 | 147.9 | 170.1 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | Q339 A340 | S337-Q339 PolarHBondContact O-N 3.03Å; S337-Q339 PolarHBondContact OG-N 2.83Å; S337-A340 WeakPolarHBondContact O-CB 3.43Å; S337-A340 PolarHBondContact O-N 3.34Å | ||
| 338 | A | 83.9 | Confident | 88.7 | Confident | 60 Ų | 60 | 35 Ų | 35 | 50% | 0.496 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | K370 | A338-K370 HydrophobicContact CB-CD 4.22Å; A338-K370 WeakPolarHBondContact O-CE 3.32Å; A338-K370 PolarHBondContact O-NZ 3.49Å |
| 339 | Q | 83.5 | Confident | 88.5 | Confident | 167 Ų | 167 | 34.4 Ų | 34.4 | 78% | 0.78 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -2.2 | 173.1 | -66.5 | 174.2 | -18.3 | 0 | 0 | 113.1 | S337 S341 L396 | S337-Q339 PolarHBondContact O-N 3.03Å; S337-Q339 PolarHBondContact OG-N 2.83Å; Q339-S341 PolarHBondContact O-N 2.92Å; Q339-L396 HydrophobicContact CB-CD1 4.25Å |
| 340 | A | 83.9 | Confident | 88.3 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | trans | -67.1 | 129.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L336 S337 L395 L396 | L336-A340 HydrophobicContact CB-CB 4.44Å; L336-A340 HydrophobicContact CD2-CB 4.27Å; S337-A340 WeakPolarHBondContact O-CB 3.43Å; S337-A340 PolarHBondContact O-N 3.34Å; A340-L395 HydrophobicContact CB-CD2 4.16Å; A340-L396 HydrophobicContact CB-CD1 4.44Å | ||
| 341 | S | 85.6 | Confident | 87.8 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 39% | 0.392 | 19% | 0.189 | S | C | . | . | trans | -98.2 | 163.1 | 177 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | Q339 A343 Q344 | Q339-S341 PolarHBondContact O-N 2.92Å; S341-A343 VanDerWaalsContact C-N 3.28Å; S341-A343 PolarHBondContact O-N 3.13Å; S341-Q344 PolarHBondContact O-N 3.33Å | ||
| 342 | I | 86.1 | Confident | 87.4 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 35% | 0.349 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 177.1 | -62.2 | 174 | 0 | 0 | 0 | 110.8 | V291 Q344 L345 V346 L364 | V291-I342 HydrophobicContact CG2-CB 4.43Å; V291-I342 HydrophobicContact CG2-CG2 3.99Å; I342-Q344 PolarHBondContact O-N 3.33Å; I342-L345 WeakPolarHBondContact O-CA 3.33Å; I342-L345 WeakPolarHBondContact O-CB 3.32Å; I342-L345 PolarHBondContact O-N 2.99Å; I342-V346 HydrophobicContact CG2-CG2 4.11Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 3.29Å; I342-L364 HydrophobicContact CD1-CB 4.29Å; I342-L364 HydrophobicContact CG1-CB 3.9Å; I342-L364 HydrophobicContact CG1-CD2 3.87Å |
| 343 | A | 84.8 | Confident | 87 | Confident | 37 Ų | 37 | 38 Ų | 38 | 31% | 0.306 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.7 | -36.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V291 S341 V346 A347 | V291-A343 HydrophobicContact CG1-CB 3.93Å; S341-A343 VanDerWaalsContact C-N 3.28Å; S341-A343 PolarHBondContact O-N 3.13Å; A343-V346 PolarHBondContact O-N 2.81Å; A343-A347 PolarHBondContact O-N 3.32Å |
| 344 | Q | 86.6 | Confident | 86.2 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.8 | -32.3 | 176.5 | -64.9 | -65.2 | -23.1 | 0 | 0 | 112.7 | S341 I342 L348 L395 | S341-Q344 PolarHBondContact O-N 3.33Å; I342-Q344 PolarHBondContact O-N 3.33Å; Q344-L348 WeakPolarHBondContact O-CG 3.32Å; Q344-L348 PolarHBondContact O-N 3.32Å; Q344-L395 HydrophobicContact CB-CD1 4.02Å; Q344-L395 HydrophobicContact CB-CD2 4.15Å; Q344-L395 HydrophobicContact CG-CD1 4.41Å |
| 345 | L | 88.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 171.3 | -67.3 | 174.5 | 0 | 0 | 0 | 111 | L336 I342 A347 L348 F349 Y362 L364 A373 | L336-L345 HydrophobicContact CD1-CD1 4.48Å; L336-L345 HydrophobicContact CD2-CD2 3.83Å; I342-L345 WeakPolarHBondContact O-CA 3.33Å; I342-L345 WeakPolarHBondContact O-CB 3.32Å; I342-L345 PolarHBondContact O-N 2.99Å; L345-A347 PolarHBondContact O-N 3.45Å; L345-L348 PolarHBondContact O-N 2.89Å; L345-F349 WeakPolarHBondContact O-CD2 3.5Å; L345-F349 PolarHBondContact O-N 3.1Å; L345-Y362 HydrophobicContact CB-CD1 4.13Å; L345-Y362 HydrophobicContact CB-CE1 4.35Å; L345-L364 HydrophobicContact CD1-CD1 4.31Å; L345-A373 HydrophobicContact CD1-CB 3.77Å |
| 346 | V | 87.4 | Confident | 84.3 | Confident | 21 Ų | 21 | 55 Ų | 55 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | I295 I342 A343 L348 F349 S350 Y362 | I295-V346 HydrophobicContact CD1-CB 4.01Å; I295-V346 HydrophobicContact CD1-CG1 3.48Å; I295-V346 VanDerWaalsContact CD1-CG1 3.48Å; I342-V346 HydrophobicContact CG2-CG2 4.11Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 3.29Å; A343-V346 PolarHBondContact O-N 2.81Å; V346-L348 PolarHBondContact O-N 3.29Å; V346-F349 PolarHBondContact O-N 2.89Å; V346-S350 WeakPolarHBondContact O-CB 3.44Å; V346-S350 PolarHBondContact O-N 3.2Å; V346-S350 PolarHBondContact O-OG 3.13Å; V346-S350 VanDerWaalsContact O-OG 3.08Å; V346-Y362 HydrophobicContact CG2-CD1 4.33Å; V346-Y362 HydrophobicContact CG2-CD2 4.03Å; V346-Y362 HydrophobicContact CG2-CE1 4.18Å; V346-Y362 HydrophobicContact CG2-CE2 3.9Å; V346-Y362 HydrophobicContact CG2-CG 4.25Å |
| 347 | A | 86.6 | Confident | 83.4 | Confident | 9 Ų | 9 | 56 Ų | 56 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -28.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I295 A343 L345 R351 | I295-A347 HydrophobicContact CG2-CB 3.81Å; A343-A347 PolarHBondContact O-N 3.32Å; L345-A347 PolarHBondContact O-N 3.45Å; A347-R351 PolarHBondContact O-NH2 3.06Å |
| 348 | L | 88.1 | Confident | 83 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -80.9 | -45 | 176.2 | -71.8 | 168.6 | 0 | 0 | 0 | 112.1 | L298 I303 Q344 L345 V346 R351 V390 Y393 L400 | L298-L348 HydrophobicContact CD1-CD2 3.81Å; L298-L348 HydrophobicContact CD1-CG 4.39Å; I303-L348 HydrophobicContact CD1-CD2 3.57Å; I303-L348 HydrophobicContact CG1-CD2 4.1Å; Q344-L348 WeakPolarHBondContact O-CG 3.32Å; Q344-L348 PolarHBondContact O-N 3.32Å; L345-L348 PolarHBondContact O-N 2.89Å; V346-L348 PolarHBondContact O-N 3.29Å; L348-R351 PolarHBondContact O-NE 3.23Å; L348-R351 PolarHBondContact O-NH2 2.68Å; L348-R351 VanDerWaalsContact O-NH2 3.15Å; L348-V390 HydrophobicContact CB-CG1 4.44Å; L348-V390 HydrophobicContact CD1-CG1 4.31Å; L348-Y393 HydrophobicContact CD1-CD1 3.85Å; L348-Y393 HydrophobicContact CD1-CE1 4Å; L348-Y393 HydrophobicContact CD2-CD1 3.71Å; L348-Y393 HydrophobicContact CD2-CD2 4.5Å; L348-Y393 HydrophobicContact CD2-CE1 3.64Å; L348-Y393 HydrophobicContact CD2-CE2 4.42Å; L348-Y393 HydrophobicContact CD2-CG 4.15Å; L348-Y393 HydrophobicContact CG-CD1 4.44Å; L348-Y393 HydrophobicContact CG-CE1 4.35Å; L348-L400 HydrophobicContact CD1-CD1 3.82Å |
| 349 | F | 88.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -102.4 | -11.2 | -167.7 | -70.6 | -91.9 | 0 | 0 | 0 | 115.3 | L331 V333 L345 V346 R351 F352 Y362 I375 A386 V390 | L331-F349 HydrophobicContact CD1-CE1 3.92Å; V333-F349 HydrophobicContact CG2-CE2 4.35Å; V333-F349 HydrophobicContact CG2-CZ 4.11Å; L345-F349 WeakPolarHBondContact O-CD2 3.5Å; L345-F349 PolarHBondContact O-N 3.1Å; V346-F349 PolarHBondContact O-N 2.89Å; F349-R351 PolarHBondContact O-N 2.99Å; F349-R351 VanDerWaalsContact O-N 3.16Å; F349-F352 HydrophobicContact CB-CD2 4.46Å; F349-F352 HydrophobicContact CD1-CD2 4.09Å; F349-F352 HydrophobicContact CD1-CE2 4.4Å; F349-F352 WeakPolarHBondContact O-CB 3.23Å; F349-F352 PolarHBondContact O-N 3.43Å; F349-Y362 HydrophobicContact CB-CE1 3.87Å; F349-Y362 WeakPolarHBondContact CB-OH 3.46Å; F349-I375 HydrophobicContact CD1-CD1 4.11Å; F349-I375 HydrophobicContact CD1-CG2 4.4Å; F349-I375 HydrophobicContact CD2-CD1 3.37Å; F349-I375 HydrophobicContact CE1-CD1 4.07Å; F349-I375 HydrophobicContact CE2-CD1 3.32Å; F349-I375 HydrophobicContact CG-CD1 3.78Å; F349-I375 HydrophobicContact CG-CG2 4.46Å; F349-I375 HydrophobicContact CZ-CD1 3.69Å; F349-A386 HydrophobicContact CD1-CB 4.1Å; F349-A386 HydrophobicContact CE1-CB 4.03Å; F349-V390 HydrophobicContact CE1-CB 4.28Å; F349-V390 HydrophobicContact CE1-CG1 4.44Å; F349-V390 HydrophobicContact CE1-CG2 4.1Å; F349-V390 HydrophobicContact CE2-CB 4.47Å; F349-V390 HydrophobicContact CE2-CG1 3.78Å; F349-V390 HydrophobicContact CE2-CG2 4.49Å; F349-V390 HydrophobicContact CZ-CB 3.91Å; F349-V390 HydrophobicContact CZ-CG1 3.63Å; F349-V390 HydrophobicContact CZ-CG2 4.09Å |
| 350 | S | 84.5 | Confident | 83 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59.2 | -26.5 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | V346 F352 E353 Y362 | V346-S350 WeakPolarHBondContact O-CB 3.44Å; V346-S350 PolarHBondContact O-N 3.2Å; V346-S350 PolarHBondContact O-OG 3.13Å; V346-S350 VanDerWaalsContact O-OG 3.08Å; S350-F352 PolarHBondContact O-N 3.45Å; S350-F352 VanDerWaalsContact O-N 3.09Å; S350-E353 VanDerWaalsContact O-CB 3.24Å; S350-E353 WeakPolarHBondContact O-CB 3.35Å; S350-E353 PolarHBondContact O-N 2.81Å; S350-Y362 PolarHBondContact N-OH 3.47Å |
| 351 | R | 83.2 | Confident | 83.2 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -58.3 | -22 | 173.4 | 86.9 | -172.2 | 75.5 | -123.9 | -27.3 | 113.8 | L298 D300 I303 A347 L348 F349 | L298-R351 PolarHBondContact O-NH1 2.9Å; L298-R351 PolarHBondContact O-NH2 2.82Å; D300-R351 IonicContact OD1-CZ 3.35Å; D300-R351 IonicContact OD1-NH1 3.55Å; D300-R351 PolarHBondContact OD1-NH1 3.43Å; I303-R351 VanDerWaalsContact CD1-CZ 3.43Å; I303-R351 VanDerWaalsContact CD1-NH2 3.26Å; A347-R351 PolarHBondContact O-NH2 3.06Å; L348-R351 PolarHBondContact O-NE 3.23Å; L348-R351 PolarHBondContact O-NH2 2.68Å; L348-R351 VanDerWaalsContact O-NH2 3.15Å; F349-R351 PolarHBondContact O-N 2.99Å; F349-R351 VanDerWaalsContact O-N 3.16Å |
| 352 | F | 85.1 | Confident | 83.3 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -96.8 | 3.3 | -177.6 | -59.4 | -63.3 | 0 | 0 | 0 | 112.7 | F349 S350 L377 T382 A386 L389 V390 | F349-F352 HydrophobicContact CB-CD2 4.46Å; F349-F352 HydrophobicContact CD1-CD2 4.09Å; F349-F352 HydrophobicContact CD1-CE2 4.4Å; F349-F352 WeakPolarHBondContact O-CB 3.23Å; F349-F352 PolarHBondContact O-N 3.43Å; S350-F352 PolarHBondContact O-N 3.45Å; S350-F352 VanDerWaalsContact O-N 3.09Å; F352-L377 HydrophobicContact CB-CD2 3.83Å; F352-T382 HydrophobicContact CB-CG2 3.66Å; F352-T382 HydrophobicContact CD1-CG2 4.35Å; F352-T382 HydrophobicContact CG-CG2 4.35Å; F352-T382 WeakPolarHBondContact O-CG2 3.33Å; F352-A386 HydrophobicContact CD1-CB 4.17Å; F352-A386 HydrophobicContact CD2-CB 3.5Å; F352-A386 HydrophobicContact CE1-CB 4.16Å; F352-A386 HydrophobicContact CE2-CB 3.5Å; F352-A386 VanDerWaalsContact CE2-CB 3.5Å; F352-A386 HydrophobicContact CG-CB 3.88Å; F352-A386 VanDerWaalsContact CZ-CA 3.44Å; F352-A386 HydrophobicContact CZ-CB 3.84Å; F352-L389 HydrophobicContact CZ-CB 4.18Å; F352-L389 HydrophobicContact CZ-CD2 4.16Å; F352-V390 HydrophobicContact CE2-CG2 4.03Å |
| 353 | E | 83.1 | Confident | 83.4 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | trans | -79.4 | 126 | 172.7 | -164.5 | 147.7 | -130.4 | 0 | 0 | 109.6 | S350 P359 V360 | S350-E353 VanDerWaalsContact O-CB 3.24Å; S350-E353 WeakPolarHBondContact O-CB 3.35Å; S350-E353 PolarHBondContact O-N 2.81Å; E353-P359 VanDerWaalsContact OE1-CA 3.29Å; E353-P359 WeakPolarHBondContact OE1-CA 3.46Å; E353-P359 WeakPolarHBondContact OE1-CB 3.49Å; E353-V360 HydrophobicContact CB-CG2 3.91Å; E353-V360 HydrophobicContact CG-CG2 4.11Å; E353-V360 PolarHBondContact OE1-N 3.12Å | ||
| 354 | Q | 76.7 | Confident | 83.6 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | trans | -86.7 | 136.1 | 175.9 | -66.5 | 170.5 | 13.9 | 0 | 0 | 108.9 | D356 G357 D379 | Q354-D356 PolarHBondContact O-N 3.1Å; Q354-G357 PolarHBondContact O-N 3.14Å; Q354-G357 VanDerWaalsContact O-N 3.09Å; Q354-D379 PolarHBondContact NE2-OD2 2.83Å | ||
| 355 | K | 70.9 | Confident | 83.5 | Confident | 174 Ų | 174 | 56.2 Ų | 56.2 | 76% | 0.757 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -34.7 | -178.8 | -70.8 | -163.9 | 165.1 | -136.4 | 0 | 114 | E266 | E266-K355 IonicContact OE2-NZ 3.55Å; E266-K355 PolarHBondContact OE2-NZ 2.88Å |
| 356 | D | 75.3 | Confident | 83.2 | Confident | 171 Ų | 171 | 61.2 Ų | 61.2 | 91% | 0.914 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 8.3 | -179.4 | -54.8 | -65.1 | 0 | 0 | 0 | 113.1 | Q354 | Q354-D356 PolarHBondContact O-N 3.1Š|
| 357 | G | 72.9 | Confident | 83 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -100.6 | 172.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q354 | Q354-G357 PolarHBondContact O-N 3.14Å; Q354-G357 VanDerWaalsContact O-N 3.09Å |
| 358 | P | 78.9 | Confident | 82.6 | Confident | 83 Ų | 83 | 75 Ų | 75 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -67 | 139 | 172.9 | 26.7 | -30.8 | 0 | 0 | 0 | 110.8 | P378 | P358-P378 HydrophobicContact CG-CB 3.81Š|
| 359 | P | 81.2 | Confident | 82.3 | Confident | 66 Ų | 66 | 79.6 Ų | 79.6 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 153.6 | -171.3 | 28.1 | -36.2 | 0 | 0 | 0 | 112.8 | L270 E353 V361 | L270-P359 HydrophobicContact CD1-CB 4.32Å; L270-P359 HydrophobicContact CD1-CG 4.2Å; E353-P359 VanDerWaalsContact OE1-CA 3.29Å; E353-P359 WeakPolarHBondContact OE1-CA 3.46Å; E353-P359 WeakPolarHBondContact OE1-CB 3.49Å; P359-V361 PolarHBondContact O-N 3.33Å |
| 360 | V | 86.1 | Confident | 82.2 | Confident | 11 Ų | 11 | 85.7 Ų | 85.7 | 7% | 0.067 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 121.5 | -179 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | E353 Y362 I375 T376 L377 | E353-V360 HydrophobicContact CB-CG2 3.91Å; E353-V360 HydrophobicContact CG-CG2 4.11Å; E353-V360 PolarHBondContact OE1-N 3.12Å; V360-Y362 HydrophobicContact CB-CE2 3.76Å; V360-Y362 HydrophobicContact CG1-CD2 4.33Å; V360-Y362 HydrophobicContact CG1-CE1 4.16Å; V360-Y362 HydrophobicContact CG1-CE2 3.64Å; V360-Y362 WeakPolarHBondContact O-CD2 3.47Å; V360-Y362 VanDerWaalsContact O-CE2 3.27Å; V360-Y362 WeakPolarHBondContact O-CE2 3.4Å; V360-I375 HydrophobicContact CG1-CG2 3.57Å; V360-T376 WeakPolarHBondContact CA-O 3.32Å; V360-L377 HydrophobicContact CB-CD2 4.42Å; V360-L377 HydrophobicContact CG1-CD2 3.72Å; V360-L377 HydrophobicContact CG1-CG 4.4Å; V360-L377 HydrophobicContact CG2-CD2 3.78Å |
| 361 | V | 86.9 | Confident | 82.3 | Confident | 64 Ų | 64 | 85 Ų | 85 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.9 | -176.4 | -172.6 | 0 | 0 | 0 | 0 | 111 | P359 I375 T376 | P359-V361 PolarHBondContact O-N 3.33Å; V361-I375 CarbonylContact O-C 3.29Å; V361-I375 WeakPolarHBondContact O-CA 3.46Å; V361-T376 PolarHBondContact N-O 2.69Å; V361-T376 PolarHBondContact O-N 3.35Å |
| 362 | Y | 87.8 | Confident | 82.7 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 18% | 0.18 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.1 | -178.8 | -61 | -92.4 | 0 | 0 | 0 | 112.3 | L345 V346 F349 S350 V360 I375 | L345-Y362 HydrophobicContact CB-CD1 4.13Å; L345-Y362 HydrophobicContact CB-CE1 4.35Å; V346-Y362 HydrophobicContact CG2-CD1 4.33Å; V346-Y362 HydrophobicContact CG2-CD2 4.03Å; V346-Y362 HydrophobicContact CG2-CE1 4.18Å; V346-Y362 HydrophobicContact CG2-CE2 3.9Å; V346-Y362 HydrophobicContact CG2-CG 4.25Å; F349-Y362 HydrophobicContact CB-CE1 3.87Å; F349-Y362 WeakPolarHBondContact CB-OH 3.46Å; S350-Y362 PolarHBondContact N-OH 3.47Å; V360-Y362 HydrophobicContact CB-CE2 3.76Å; V360-Y362 HydrophobicContact CG1-CD2 4.33Å; V360-Y362 HydrophobicContact CG1-CE1 4.16Å; V360-Y362 HydrophobicContact CG1-CE2 3.64Å; V360-Y362 WeakPolarHBondContact O-CD2 3.47Å; V360-Y362 VanDerWaalsContact O-CE2 3.27Å; V360-Y362 WeakPolarHBondContact O-CE2 3.4Å; Y362-I375 HydrophobicContact CD1-CD1 4.19Å; Y362-I375 HydrophobicContact CD1-CG1 4.13Å; Y362-I375 HydrophobicContact CD1-CG2 4.24Å; Y362-I375 HydrophobicContact CE1-CD1 4.24Å; Y362-I375 HydrophobicContact CE1-CG2 4.12Å |
| 363 | R | 88.1 | Confident | 83.1 | Confident | 158 Ų | 158 | 83.4 Ų | 83.4 | 60% | 0.596 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 89.7 | 178.6 | -175 | -178 | -178.1 | 166 | 6.1 | 111.6 | L365 A373 F374 | R363-L365 HydrophobicContact CG-CD2 4.34Å; R363-A373 CarbonylContact O-C 2.76Å; R363-A373 VanDerWaalsContact O-CA 3.25Å; R363-A373 WeakPolarHBondContact O-CA 3.27Å; R363-F374 HydrophobicContact CB-CB 4.31Å; R363-F374 PolarHBondContact N-O 3.37Å; R363-F374 PolarHBondContact O-N 3.1Å |
| 364 | L | 89 | Confident | 83.5 | Confident | 49 Ų | 49 | 82.9 Ų | 82.9 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 130.8 | 172.6 | -175.3 | 63.9 | 0 | 0 | 0 | 110.8 | L336 I342 L345 A373 | L336-L364 HydrophobicContact CD1-CD1 4.11Å; I342-L364 HydrophobicContact CD1-CB 4.29Å; I342-L364 HydrophobicContact CG1-CB 3.9Å; I342-L364 HydrophobicContact CG1-CD2 3.87Å; L345-L364 HydrophobicContact CD1-CD1 4.31Å; L364-A373 HydrophobicContact CD1-CB 4.05Å |
| 365 | L | 85.9 | Confident | 84.2 | Confident | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | trans | -89 | 143.7 | 179 | -55.5 | -172.3 | 0 | 0 | 0 | 111.9 | R363 M369 Q372 F374 | R363-L365 HydrophobicContact CG-CD2 4.34Å; L365-M369 HydrophobicContact CB-CB 4.14Å; L365-M369 HydrophobicContact CD1-CB 4.07Å; L365-M369 HydrophobicContact CD1-CE 3.78Å; L365-M369 HydrophobicContact CD1-SD 4.35Å; L365-Q372 HydrophobicContact CB-CB 4.43Å; L365-Q372 WeakPolarHBondContact CB-O 3.37Å; L365-Q372 HydrophobicContact CD1-CB 3.95Å; L365-Q372 HydrophobicContact CG-CB 4.38Å; L365-Q372 PolarHBondContact N-O 2.94Å; L365-F374 HydrophobicContact CD1-CD2 4.35Å; L365-F374 HydrophobicContact CD1-CE2 3.92Å; L365-F374 HydrophobicContact CD2-CD2 4.25Å; L365-F374 HydrophobicContact CD2-CE2 4.42Å; L365-F374 HydrophobicContact CG-CD2 4.48Å | ||
| 366 | T | 81 | Confident | 85.2 | Confident | 106 Ų | 106 | 73 Ų | 73 | 65% | 0.65 | 38% | 0.381 | S | S | * | . | trans | -120.6 | 176.6 | -177 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | M369 | T366-M369 PolarHBondContact O-N 2.78Š| ||
| 367 | G | 82.9 | Confident | 85.9 | Confident | 61 Ų | 61 | 65 Ų | 65 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | 65.4 | -135.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M369 K370 | G367-M369 PolarHBondContact O-N 3Å; G367-M369 VanDerWaalsContact O-N 3.15Å; G367-K370 VanDerWaalsContact O-CB 3.24Å; G367-K370 WeakPolarHBondContact O-CB 3.44Å; G367-K370 PolarHBondContact O-N 3.48Å |
| 368 | R | 79.3 | Confident | 86.7 | Confident | 259 Ų | 259 | 65 Ų | 65 | 98% | 0.977 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -60.7 | -22.7 | -178.6 | -175.3 | 174.7 | 176.2 | 175.4 | -0.5 | 113.8 | ||
| 369 | M | 81.5 | Confident | 87.3 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 48% | 0.478 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -99.6 | 13.8 | 178.5 | -61.8 | -176.8 | 73.7 | 0 | 0 | 113.3 | L365 T366 G367 G371 Q372 | L365-M369 HydrophobicContact CB-CB 4.14Å; L365-M369 HydrophobicContact CD1-CB 4.07Å; L365-M369 HydrophobicContact CD1-CE 3.78Å; L365-M369 HydrophobicContact CD1-SD 4.35Å; T366-M369 PolarHBondContact O-N 2.78Å; G367-M369 PolarHBondContact O-N 3Å; G367-M369 VanDerWaalsContact O-N 3.15Å; M369-G371 PolarHBondContact O-N 3.3Å; M369-Q372 PolarHBondContact O-N 3.29Å |
| 370 | K | 85.5 | Confident | 87.8 | Confident | 129 Ų | 129 | 64.9 Ų | 64.9 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 138.5 | 176.8 | -166.2 | -178.7 | -164.6 | -169.3 | 0 | 110.9 | A338 G367 | A338-K370 HydrophobicContact CB-CD 4.22Å; A338-K370 WeakPolarHBondContact O-CE 3.32Å; A338-K370 PolarHBondContact O-NZ 3.49Å; G367-K370 VanDerWaalsContact O-CB 3.24Å; G367-K370 WeakPolarHBondContact O-CB 3.44Å; G367-K370 PolarHBondContact O-N 3.48Å |
| 371 | G | 87.1 | Confident | 88 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 16 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N335 L336 M369 | N335-G371 PolarHBondContact N-O 2.93Å; L336-G371 PolarHBondContact N-O 2.89Å; M369-G371 PolarHBondContact O-N 3.3Å |
| 372 | Q | 91.9 | Very high | 88.2 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | trans | -133.6 | 149.5 | 174.4 | -62.6 | 175.9 | 43.8 | 0 | 0 | 110.2 | V333 L365 M369 | V333-Q372 CarbonylContact O-C 3.55Å; V333-Q372 VanDerWaalsContact O-CA 3.25Å; V333-Q372 WeakPolarHBondContact O-CA 3.34Å; L365-Q372 HydrophobicContact CB-CB 4.43Å; L365-Q372 WeakPolarHBondContact CB-O 3.37Å; L365-Q372 HydrophobicContact CD1-CB 3.95Å; L365-Q372 HydrophobicContact CG-CB 4.38Å; L365-Q372 PolarHBondContact N-O 2.94Å; M369-Q372 PolarHBondContact O-N 3.29Å | ||
| 373 | A | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 156.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | C332 V333 L336 L345 R363 L364 | C332-A373 CarbonylContact C-O 3.6Å; C332-A373 WeakPolarHBondContact CA-O 3.46Å; V333-A373 HydrophobicContact CB-CB 4.45Å; V333-A373 PolarHBondContact N-O 3.39Å; V333-A373 PolarHBondContact O-N 3.32Å; L336-A373 HydrophobicContact CD1-CB 3.7Å; L345-A373 HydrophobicContact CD1-CB 3.77Å; R363-A373 CarbonylContact O-C 2.76Å; R363-A373 VanDerWaalsContact O-CA 3.25Å; R363-A373 WeakPolarHBondContact O-CA 3.27Å; L364-A373 HydrophobicContact CD1-CB 4.05Å |
| 374 | F | 92.9 | Very high | 88.7 | Confident | 65 Ų | 65 | 63 Ų | 63 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.8 | 164.1 | -66.2 | -78 | 0 | 0 | 0 | 109.9 | V330 L331 C332 R363 L365 | V330-F374 HydrophobicContact CG1-CB 4.43Å; V330-F374 HydrophobicContact CG1-CD1 4.14Å; L331-F374 CarbonylContact O-C 3.53Å; L331-F374 VanDerWaalsContact O-CA 3.27Å; L331-F374 WeakPolarHBondContact O-CA 3.38Å; C332-F374 HydrophobicContact CB-CD1 3.91Å; C332-F374 HydrophobicContact CB-CE1 3.68Å; C332-F374 VanDerWaalsContact SG-CE1 3.56Å; R363-F374 HydrophobicContact CB-CB 4.31Å; R363-F374 PolarHBondContact N-O 3.37Å; R363-F374 PolarHBondContact O-N 3.1Å; L365-F374 HydrophobicContact CD1-CD2 4.35Å; L365-F374 HydrophobicContact CD1-CE2 3.92Å; L365-F374 HydrophobicContact CD2-CD2 4.25Å; L365-F374 HydrophobicContact CD2-CE2 4.42Å; L365-F374 HydrophobicContact CG-CD2 4.48Å |
| 375 | I | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 117.6 | 178.6 | -55.4 | -179.7 | 0 | 0 | 0 | 107.2 | V330 L331 V333 F349 V360 V361 Y362 L377 | V330-I375 CarbonylContact C-O 2.75Å; V330-I375 WeakPolarHBondContact CA-O 3.41Å; L331-I375 PolarHBondContact N-O 3.14Å; L331-I375 PolarHBondContact O-N 3.45Å; V333-I375 HydrophobicContact CG2-CD1 3.78Å; V333-I375 HydrophobicContact CG2-CG1 4.29Å; F349-I375 HydrophobicContact CD1-CD1 4.11Å; F349-I375 HydrophobicContact CD1-CG2 4.4Å; F349-I375 HydrophobicContact CD2-CD1 3.37Å; F349-I375 HydrophobicContact CE1-CD1 4.07Å; F349-I375 HydrophobicContact CE2-CD1 3.32Å; F349-I375 HydrophobicContact CG-CD1 3.78Å; F349-I375 HydrophobicContact CG-CG2 4.46Å; F349-I375 HydrophobicContact CZ-CD1 3.69Å; V360-I375 HydrophobicContact CG1-CG2 3.57Å; V361-I375 CarbonylContact O-C 3.29Å; V361-I375 WeakPolarHBondContact O-CA 3.46Å; Y362-I375 HydrophobicContact CD1-CD1 4.19Å; Y362-I375 HydrophobicContact CD1-CG1 4.13Å; Y362-I375 HydrophobicContact CD1-CG2 4.24Å; Y362-I375 HydrophobicContact CE1-CD1 4.24Å; Y362-I375 HydrophobicContact CE1-CG2 4.12Å; I375-L377 HydrophobicContact CG2-CG 4.34Å |
| 376 | T | 91 | Very high | 89.1 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118 | 174.7 | -51.2 | 0 | 0 | 0 | 0 | 108.4 | K329 V330 V360 V361 | K329-T376 HydrophobicContact CG-CG2 4.46Å; V330-T376 HydrophobicContact CG2-CG2 4.2Å; V360-T376 WeakPolarHBondContact CA-O 3.32Å; V361-T376 PolarHBondContact N-O 2.69Å; V361-T376 PolarHBondContact O-N 3.35Å |
| 377 | L | 90.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -97.5 | 161.4 | 177.2 | -73.3 | 163.3 | 0 | 0 | 0 | 110 | K329 L331 F352 V360 I375 T382 A383 A386 | K329-L377 PolarHBondContact O-N 3.13Å; L331-L377 HydrophobicContact CD1-CD1 3.65Å; L331-L377 HydrophobicContact CG-CD1 4.23Å; F352-L377 HydrophobicContact CB-CD2 3.83Å; V360-L377 HydrophobicContact CB-CD2 4.42Å; V360-L377 HydrophobicContact CG1-CD2 3.72Å; V360-L377 HydrophobicContact CG1-CG 4.4Å; V360-L377 HydrophobicContact CG2-CD2 3.78Å; I375-L377 HydrophobicContact CG2-CG 4.34Å; L377-T382 HydrophobicContact CB-CG2 4.45Å; L377-T382 HydrophobicContact CD2-CG2 4.29Å; L377-A383 HydrophobicContact CB-CB 4.3Å; L377-A383 HydrophobicContact CD1-CB 3.91Å; L377-A386 HydrophobicContact CD1-CB 3.63Å | ||
| 378 | P | 89.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 63 Ų | 63 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -58.5 | -51.9 | -179.7 | 21.5 | -33.8 | 0 | 0 | 0 | 111.8 | P358 T382 | P358-P378 HydrophobicContact CG-CB 3.81Å; P378-T382 HydrophobicContact CG-CG2 4.27Å |
| 379 | D | 90.2 | Very high | 90.6 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | trans | -120.8 | 155.4 | -172 | -62.9 | -59.5 | 0 | 0 | 0 | 113.4 | Q354 E381 T382 A383 | Q354-D379 PolarHBondContact NE2-OD2 2.83Å; D379-E381 VanDerWaalsContact C-N 3.34Å; D379-T382 PolarHBondContact O-N 3.03Å; D379-A383 WeakPolarHBondContact O-CB 3.32Å; D379-A383 PolarHBondContact O-N 2.91Å | ||
| 380 | T | 91.5 | Very high | 91.1 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.7 | -34.4 | 174.7 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | K329 A383 Q384 | K329-T380 HydrophobicContact CB-CG2 4.31Å; T380-A383 PolarHBondContact O-N 3.34Å; T380-Q384 PolarHBondContact O-N 3.43Å |
| 381 | E | 92 | Very high | 91.5 | Very high | 143 Ų | 143 | 41.5 Ų | 41.5 | 67% | 0.668 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.1 | -45.8 | 175.7 | -59.9 | -171.7 | 178 | 0 | 0 | 111.1 | D379 A383 Q384 N385 | D379-E381 VanDerWaalsContact C-N 3.34Å; E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 3.38Å; E381-Q384 WeakPolarHBondContact O-CB 3.44Å; E381-Q384 PolarHBondContact O-N 3.23Å; E381-Q384 VanDerWaalsContact O-N 3.07Å; E381-N385 PolarHBondContact O-N 3.08Å; E381-N385 PolarHBondContact O-ND2 3.39Å |
| 382 | T | 91.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.129 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -41.6 | 172.4 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | F352 L377 P378 D379 Q384 N385 A386 | F352-T382 HydrophobicContact CB-CG2 3.66Å; F352-T382 HydrophobicContact CD1-CG2 4.35Å; F352-T382 HydrophobicContact CG-CG2 4.35Å; F352-T382 WeakPolarHBondContact O-CG2 3.33Å; L377-T382 HydrophobicContact CB-CG2 4.45Å; L377-T382 HydrophobicContact CD2-CG2 4.29Å; P378-T382 HydrophobicContact CG-CG2 4.27Å; D379-T382 PolarHBondContact O-N 3.03Å; T382-Q384 PolarHBondContact O-N 3.3Å; T382-N385 PolarHBondContact O-N 3.02Å; T382-A386 VanDerWaalsContact O-CB 3.3Å; T382-A386 WeakPolarHBondContact O-CB 3.45Å; T382-A386 PolarHBondContact O-N 2.93Å |
| 383 | A | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S328 L331 L377 D379 T380 E381 L387 F404 | S328-A383 WeakPolarHBondContact O-CB 3.44Å; L331-A383 HydrophobicContact CD2-CB 4.18Å; L331-A383 HydrophobicContact CG-CB 4.23Å; L377-A383 HydrophobicContact CB-CB 4.3Å; L377-A383 HydrophobicContact CD1-CB 3.91Å; D379-A383 WeakPolarHBondContact O-CB 3.32Å; D379-A383 PolarHBondContact O-N 2.91Å; T380-A383 PolarHBondContact O-N 3.34Å; E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 3.38Å; A383-L387 WeakPolarHBondContact O-CB 3.48Å; A383-L387 PolarHBondContact O-N 3.13Å; A383-F404 HydrophobicContact CB-CE1 4.31Å |
| 384 | Q | 93.6 | Very high | 91.6 | Very high | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67 | -40.1 | 174.7 | -172.4 | 173.2 | 30.2 | 0 | 0 | 112.2 | T380 E381 T382 R388 F404 | T380-Q384 PolarHBondContact O-N 3.43Å; E381-Q384 WeakPolarHBondContact O-CB 3.44Å; E381-Q384 PolarHBondContact O-N 3.23Å; E381-Q384 VanDerWaalsContact O-N 3.07Å; T382-Q384 PolarHBondContact O-N 3.3Å; Q384-R388 WeakPolarHBondContact O-CB 3.48Å; Q384-R388 VanDerWaalsContact O-CG 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.39Å; Q384-R388 PolarHBondContact O-N 2.63Å; Q384-F404 HydrophobicContact CB-CZ 4.06Å; Q384-F404 HydrophobicContact CG-CZ 4.22Å |
| 385 | N | 91.7 | Very high | 91.4 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 175.7 | -68.2 | -24.3 | 0 | 0 | 0 | 111.5 | E381 T382 L387 R388 L389 | E381-N385 PolarHBondContact O-N 3.08Å; E381-N385 PolarHBondContact O-ND2 3.39Å; T382-N385 PolarHBondContact O-N 3.02Å; N385-L387 PolarHBondContact O-N 2.7Å; N385-R388 PolarHBondContact O-N 3.41Å; N385-L389 WeakPolarHBondContact O-CB 3.29Å; N385-L389 PolarHBondContact O-N 3.49Å |
| 386 | A | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L331 F349 F352 L377 T382 L389 V390 | L331-A386 HydrophobicContact CD1-CB 3.94Å; F349-A386 HydrophobicContact CD1-CB 4.1Å; F349-A386 HydrophobicContact CE1-CB 4.03Å; F352-A386 HydrophobicContact CD1-CB 4.17Å; F352-A386 HydrophobicContact CD2-CB 3.5Å; F352-A386 HydrophobicContact CE1-CB 4.16Å; F352-A386 HydrophobicContact CE2-CB 3.5Å; F352-A386 VanDerWaalsContact CE2-CB 3.5Å; F352-A386 HydrophobicContact CG-CB 3.88Å; F352-A386 VanDerWaalsContact CZ-CA 3.44Å; F352-A386 HydrophobicContact CZ-CB 3.84Å; L377-A386 HydrophobicContact CD1-CB 3.63Å; T382-A386 VanDerWaalsContact O-CB 3.3Å; T382-A386 WeakPolarHBondContact O-CB 3.45Å; T382-A386 PolarHBondContact O-N 2.93Å; A386-L389 PolarHBondContact O-N 3Å; A386-V390 WeakPolarHBondContact O-CB 3.48Å; A386-V390 WeakPolarHBondContact O-CG2 3.29Å; A386-V390 PolarHBondContact O-N 3.06Å |
| 387 | L | 93.4 | Very high | 90.9 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 172.6 | -172.3 | 155.2 | 0 | 0 | 0 | 110.8 | P324 L331 A383 N385 L389 H391 V402 F404 | P324-L387 HydrophobicContact CB-CD1 4.17Å; P324-L387 HydrophobicContact CB-CD2 4.38Å; L331-L387 HydrophobicContact CD2-CB 4.17Å; L331-L387 HydrophobicContact CD2-CD1 4.12Å; A383-L387 WeakPolarHBondContact O-CB 3.48Å; A383-L387 PolarHBondContact O-N 3.13Å; N385-L387 PolarHBondContact O-N 2.7Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 2.82Å; L387-H391 WeakPolarHBondContact O-CB 3.49Å; L387-H391 PolarHBondContact O-N 3.27Å; L387-H391 VanDerWaalsContact O-N 3.1Å; L387-V402 HydrophobicContact CB-CG1 4.24Å; L387-V402 HydrophobicContact CD1-CG1 4.27Å; L387-V402 WeakPolarHBondContact CD1-O 3.34Å; L387-V402 HydrophobicContact CG-CB 4.27Å; L387-V402 HydrophobicContact CG-CG1 3.97Å; L387-F404 HydrophobicContact CD1-CD1 4.26Å; L387-F404 HydrophobicContact CD1-CD2 3.93Å; L387-F404 HydrophobicContact CD1-CE1 4.15Å; L387-F404 HydrophobicContact CD1-CE2 3.81Å; L387-F404 HydrophobicContact CD1-CG 4.16Å; L387-F404 HydrophobicContact CD1-CZ 3.93Å |
| 388 | R | 91.1 | Very high | 90.9 | Very high | 151 Ų | 151 | 50.3 Ų | 50.3 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.6 | -36.3 | 179.8 | -77.7 | 172.3 | 178.2 | 169.3 | 0.4 | 113.2 | R307 Q384 N385 | R307-R388 PolarHBondContact NH1-O 3.16Å; Q384-R388 WeakPolarHBondContact O-CB 3.48Å; Q384-R388 VanDerWaalsContact O-CG 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.39Å; Q384-R388 PolarHBondContact O-N 2.63Å; N385-R388 PolarHBondContact O-N 3.41Å |
| 389 | L | 90.3 | Very high | 91.1 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -87.1 | -45.7 | -175.5 | -169.4 | 137.7 | 0 | 0 | 0 | 113 | D300 I303 F352 N385 A386 L387 | D300-L389 HydrophobicContact CB-CD1 4.26Å; I303-L389 HydrophobicContact CB-CD2 4.27Å; I303-L389 HydrophobicContact CD1-CD2 3.8Å; I303-L389 HydrophobicContact CG2-CD2 3.87Å; I303-L389 VanDerWaalsContact CG2-O 3.32Å; I303-L389 WeakPolarHBondContact CG2-O 3.41Å; F352-L389 HydrophobicContact CZ-CB 4.18Å; F352-L389 HydrophobicContact CZ-CD2 4.16Å; N385-L389 WeakPolarHBondContact O-CB 3.29Å; N385-L389 PolarHBondContact O-N 3.49Å; A386-L389 PolarHBondContact O-N 3Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 2.82Å |
| 390 | V | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -88.9 | -17.4 | -171.9 | -174 | 0 | 0 | 0 | 0 | 113.2 | L348 F349 F352 A386 G392 Y393 L400 | L348-V390 HydrophobicContact CB-CG1 4.44Å; L348-V390 HydrophobicContact CD1-CG1 4.31Å; F349-V390 HydrophobicContact CE1-CB 4.28Å; F349-V390 HydrophobicContact CE1-CG1 4.44Å; F349-V390 HydrophobicContact CE1-CG2 4.1Å; F349-V390 HydrophobicContact CE2-CB 4.47Å; F349-V390 HydrophobicContact CE2-CG1 3.78Å; F349-V390 HydrophobicContact CE2-CG2 4.49Å; F349-V390 HydrophobicContact CZ-CB 3.91Å; F349-V390 HydrophobicContact CZ-CG1 3.63Å; F349-V390 HydrophobicContact CZ-CG2 4.09Å; F352-V390 HydrophobicContact CE2-CG2 4.03Å; A386-V390 WeakPolarHBondContact O-CB 3.48Å; A386-V390 WeakPolarHBondContact O-CG2 3.29Å; A386-V390 PolarHBondContact O-N 3.06Å; V390-G392 PolarHBondContact O-N 2.95Å; V390-Y393 VanDerWaalsContact O-CB 3.32Å; V390-Y393 WeakPolarHBondContact O-CB 3.26Å; V390-Y393 PolarHBondContact O-N 3.3Å; V390-L400 HydrophobicContact CG1-CD1 4.23Å |
| 391 | H | 93.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 133.6 | 175.7 | -175.7 | 45.9 | 0 | 0 | 0 | 111.5 | R307 D310 I313 Y322 L387 Y393 L400 V402 | R307-H391 WeakPolarHBondContact CD-O 3.19Å; R307-H391 WeakPolarHBondContact CG-O 3.42Å; R307-H391 VanDerWaalsContact CZ-O 3.26Å; R307-H391 PolarHBondContact NE-O 2.83Å; D310-H391 IonicContact OD1-CD2 2.67Å; I313-H391 VanDerWaalsContact CD1-CE1 3.42Å; I313-H391 WeakPolarHBondContact CD1-CE1 3.38Å; Y322-H391 AromaticContact CD1-NE2 3.98Å; Y322-H391 AromaticContact CE1-CE1 3.53Å; Y322-H391 AromaticContact CE1-NE2 3.1Å; Y322-H391 WeakPolarHBondContact CE1-NE2 3.47Å; Y322-H391 AromaticContact CE2-CE1 3.94Å; Y322-H391 AromaticContact CZ-CE1 3.32Å; Y322-H391 AromaticContact CZ-NE2 3.3Å; Y322-H391 VanDerWaalsContact CZ-NE2 3.3Å; Y322-H391 PolarHBondContact OH-CE1 2.93Å; Y322-H391 VanDerWaalsContact OH-CE1 3.27Å; Y322-H391 PolarHBondContact OH-NE2 2.98Å; L387-H391 WeakPolarHBondContact O-CB 3.49Å; L387-H391 PolarHBondContact O-N 3.27Å; L387-H391 VanDerWaalsContact O-N 3.1Å; H391-Y393 VanDerWaalsContact C-N 3.27Å; H391-Y393 PolarHBondContact O-N 3.22Å; H391-L400 PolarHBondContact ND1-O 3.44Å; H391-V402 HydrophobicContact CB-CB 4.41Å; H391-V402 PolarHBondContact ND1-N 3.42Å |
| 392 | G | 90.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -12.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E308 V390 R394 L400 | E308-G392 WeakPolarHBondContact CB-O 3.11Å; E308-G392 PolarHBondContact N-O 2.92Å; V390-G392 PolarHBondContact O-N 2.95Å; G392-R394 PolarHBondContact O-N 3.46Å; G392-L400 WeakPolarHBondContact CA-O 3.36Å; G392-L400 PolarHBondContact N-O 3.4Å |
| 393 | Y | 92.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -53.4 | 131 | 179.6 | 177.8 | -101.7 | 0 | 0 | 0 | 112.3 | I303 N306 L348 V390 H391 L395 P399 L400 | I303-Y393 HydrophobicContact CB-CD2 4.1Å; I303-Y393 HydrophobicContact CB-CE2 4.46Å; I303-Y393 HydrophobicContact CG1-CD2 4.04Å; I303-Y393 HydrophobicContact CG1-CE2 4.04Å; I303-Y393 HydrophobicContact CG2-CD2 3.86Å; I303-Y393 HydrophobicContact CG2-CG 4.34Å; N306-Y393 HydrophobicContact CB-CD2 4.18Å; N306-Y393 HydrophobicContact CB-CE2 3.93Å; L348-Y393 HydrophobicContact CD1-CD1 3.85Å; L348-Y393 HydrophobicContact CD1-CE1 4Å; L348-Y393 HydrophobicContact CD2-CD1 3.71Å; L348-Y393 HydrophobicContact CD2-CD2 4.5Å; L348-Y393 HydrophobicContact CD2-CE1 3.64Å; L348-Y393 HydrophobicContact CD2-CE2 4.42Å; L348-Y393 HydrophobicContact CD2-CG 4.15Å; L348-Y393 HydrophobicContact CG-CD1 4.44Å; L348-Y393 HydrophobicContact CG-CE1 4.35Å; V390-Y393 VanDerWaalsContact O-CB 3.32Å; V390-Y393 WeakPolarHBondContact O-CB 3.26Å; V390-Y393 PolarHBondContact O-N 3.3Å; H391-Y393 VanDerWaalsContact C-N 3.27Å; H391-Y393 PolarHBondContact O-N 3.22Å; Y393-L395 HydrophobicContact CD1-CB 4.04Å; Y393-L395 HydrophobicContact CE1-CB 3.93Å; Y393-L395 HydrophobicContact CE1-CD1 4.13Å; Y393-L395 PolarHBondContact O-N 3.05Å; Y393-L395 VanDerWaalsContact O-N 3.16Å; Y393-P399 CarbonylContact O-C 3.59Å; Y393-P399 WeakPolarHBondContact O-CA 3.19Å; Y393-L400 HydrophobicContact CD1-CD1 4.2Å; Y393-L400 WeakPolarHBondContact O-CG 3.34Å; Y393-L400 PolarHBondContact O-N 2.85Å |
| 394 | R | 91 | Very high | 91.7 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 46% | 0.464 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 75.8 | -174.7 | -74.2 | 169.9 | 153.1 | -113.8 | 4.5 | 113.2 | N306 E308 G392 L396 K398 P399 | N306-R394 WeakPolarHBondContact O-CB 3.37Å; N306-R394 WeakPolarHBondContact O-CG 3.43Å; N306-R394 PolarHBondContact O-N 3.3Å; E308-R394 HydrophobicContact CB-CG 4.5Å; E308-R394 IonicContact OE2-CZ 3.33Å; E308-R394 VanDerWaalsContact OE2-CZ 3.31Å; E308-R394 IonicContact OE2-NE 3.21Å; E308-R394 PolarHBondContact OE2-NE 3.4Å; E308-R394 VanDerWaalsContact OE2-NE 3.12Å; E308-R394 IonicContact OE2-NH2 3.77Å; E308-R394 PolarHBondContact OE2-NH2 3.21Å; G392-R394 PolarHBondContact O-N 3.46Å; R394-L396 PolarHBondContact O-N 3.03Å; R394-K398 CarbonylContact C-O 3.58Å; R394-K398 WeakPolarHBondContact CA-O 3.47Å; R394-P399 HydrophobicContact CG-CB 4.27Å |
| 395 | L | 87.9 | Confident | 91.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 120.9 | 175.1 | -174.8 | 64.6 | 0 | 0 | 0 | 111.7 | L336 A340 Q344 Y393 G397 K398 L400 | L336-L395 HydrophobicContact CD2-CD2 3.94Å; A340-L395 HydrophobicContact CB-CD2 4.16Å; Q344-L395 HydrophobicContact CB-CD1 4.02Å; Q344-L395 HydrophobicContact CB-CD2 4.15Å; Q344-L395 HydrophobicContact CG-CD1 4.41Å; Y393-L395 HydrophobicContact CD1-CB 4.04Å; Y393-L395 HydrophobicContact CE1-CB 3.93Å; Y393-L395 HydrophobicContact CE1-CD1 4.13Å; Y393-L395 PolarHBondContact O-N 3.05Å; Y393-L395 VanDerWaalsContact O-N 3.16Å; L395-G397 PolarHBondContact O-N 3.46Å; L395-K398 PolarHBondContact N-O 3.14Å; L395-K398 PolarHBondContact O-N 3.13Å; L395-K398 VanDerWaalsContact O-N 3.07Å; L395-L400 HydrophobicContact CB-CD1 4.21Å; L395-L400 HydrophobicContact CB-CD2 4.07Å; L395-L400 HydrophobicContact CB-CG 4.15Å |
| 396 | L | 86.7 | Confident | 90.7 | Very high | 96 Ų | 96 | 41.5 Ų | 41.5 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 43.6 | -178 | -59.8 | 175.2 | 0 | 0 | 0 | 112.5 | Q339 A340 R394 K398 | Q339-L396 HydrophobicContact CB-CD1 4.25Å; A340-L396 HydrophobicContact CB-CD1 4.44Å; R394-L396 PolarHBondContact O-N 3.03Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.05Å |
| 397 | G | 85.4 | Confident | 89.4 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 61% | 0.608 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 4.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | L395 | L395-G397 PolarHBondContact O-N 3.46Š|
| 398 | K | 90.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127 | 179.1 | -59.7 | -172.6 | 74.1 | -133.9 | 0 | 111.3 | N335 L336 R394 L395 L396 L400 | N335-K398 PolarHBondContact O-NZ 3.29Å; N335-K398 WeakPolarHBondContact OD1-CE 3.24Å; N335-K398 PolarHBondContact OD1-NZ 3.12Å; L336-K398 PolarHBondContact O-NZ 3.32Å; R394-K398 CarbonylContact C-O 3.58Å; R394-K398 WeakPolarHBondContact CA-O 3.47Å; L395-K398 PolarHBondContact N-O 3.14Å; L395-K398 PolarHBondContact O-N 3.13Å; L395-K398 VanDerWaalsContact O-N 3.07Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.05Å; K398-L400 PolarHBondContact O-N 3.39Å |
| 399 | P | 93 | Very high | 86 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.9 | 178.1 | 28.7 | -34.2 | 0 | 0 | 0 | 111.2 | E308 M316 N335 Y393 R394 | E308-P399 HydrophobicContact CB-CB 3.63Å; E308-P399 HydrophobicContact CB-CG 4.43Å; E308-P399 HydrophobicContact CG-CB 4.11Å; E308-P399 HydrophobicContact CG-CG 4.41Å; M316-P399 HydrophobicContact SD-CG 4.02Å; N335-P399 WeakPolarHBondContact CB-O 3.22Å; N335-P399 PolarHBondContact ND2-O 3.17Å; Y393-P399 CarbonylContact O-C 3.59Å; Y393-P399 WeakPolarHBondContact O-CA 3.19Å; R394-P399 HydrophobicContact CG-CB 4.27Å |
| 400 | L | 93.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 128.7 | 178.6 | -61.9 | -174.7 | 0 | 0 | 0 | 111.4 | V333 L336 L348 V390 H391 G392 Y393 L395 K398 V402 | V333-L400 HydrophobicContact CG1-CB 4.29Å; V333-L400 HydrophobicContact CG1-CD1 4.26Å; V333-L400 HydrophobicContact CG1-CD2 4.15Å; V333-L400 HydrophobicContact CG1-CG 4.46Å; L336-L400 HydrophobicContact CD2-CD2 3.41Å; L336-L400 VanDerWaalsContact CD2-CD2 3.41Å; L336-L400 HydrophobicContact CG-CD2 3.95Å; L348-L400 HydrophobicContact CD1-CD1 3.82Å; V390-L400 HydrophobicContact CG1-CD1 4.23Å; H391-L400 PolarHBondContact ND1-O 3.44Å; G392-L400 WeakPolarHBondContact CA-O 3.36Å; G392-L400 PolarHBondContact N-O 3.4Å; Y393-L400 HydrophobicContact CD1-CD1 4.2Å; Y393-L400 WeakPolarHBondContact O-CG 3.34Å; Y393-L400 PolarHBondContact O-N 2.85Å; L395-L400 HydrophobicContact CB-CD1 4.21Å; L395-L400 HydrophobicContact CB-CD2 4.07Å; L395-L400 HydrophobicContact CB-CG 4.15Å; K398-L400 PolarHBondContact O-N 3.39Å; L400-V402 HydrophobicContact CB-CG2 4.49Å |
| 401 | V | 93.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.8 | 175.3 | -178 | 0 | 0 | 0 | 0 | 107.6 | I313 F319 Y322 K334 N335 | I313-V401 HydrophobicContact CG2-CG2 3.76Å; F319-V401 HydrophobicContact CD1-CB 4.31Å; F319-V401 HydrophobicContact CD1-CG1 3.91Å; F319-V401 HydrophobicContact CD1-CG2 4.09Å; F319-V401 HydrophobicContact CD2-CG2 3.86Å; F319-V401 HydrophobicContact CE1-CB 4.15Å; F319-V401 HydrophobicContact CE1-CG1 4.1Å; F319-V401 HydrophobicContact CE1-CG2 4.11Å; F319-V401 HydrophobicContact CE2-CG2 3.89Å; F319-V401 HydrophobicContact CG-CG1 4.42Å; F319-V401 HydrophobicContact CG-CG2 3.97Å; F319-V401 HydrophobicContact CZ-CB 4.37Å; F319-V401 HydrophobicContact CZ-CG2 4.03Å; Y322-V401 HydrophobicContact CD2-CG1 3.47Å; Y322-V401 VanDerWaalsContact CD2-CG1 3.47Å; Y322-V401 HydrophobicContact CE2-CG1 3.66Å; Y322-V401 HydrophobicContact CG-CG1 4.24Å; K334-V401 HydrophobicContact CB-CB 4.27Å; K334-V401 PolarHBondContact N-O 2.92Å; K334-V401 PolarHBondContact O-N 3.31Å; K334-V401 VanDerWaalsContact O-N 3.09Å; N335-V401 HydrophobicContact CB-CG2 4.26Å |
| 402 | V | 94.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.9 | -169.5 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | Y322 L331 V333 L387 H391 L400 | Y322-V402 PolarHBondContact OH-O 2.86Å; L331-V402 HydrophobicContact CB-CG1 4.18Å; L331-V402 HydrophobicContact CD1-CG1 4.08Å; L331-V402 HydrophobicContact CD2-CG1 4.27Å; L331-V402 HydrophobicContact CG-CG1 4.42Å; V333-V402 HydrophobicContact CG1-CG2 4.47Å; V333-V402 HydrophobicContact CG2-CG2 4.39Å; L387-V402 HydrophobicContact CB-CG1 4.24Å; L387-V402 HydrophobicContact CD1-CG1 4.27Å; L387-V402 WeakPolarHBondContact CD1-O 3.34Å; L387-V402 HydrophobicContact CG-CB 4.27Å; L387-V402 HydrophobicContact CG-CG1 3.97Å; H391-V402 HydrophobicContact CB-CB 4.41Å; H391-V402 PolarHBondContact ND1-N 3.42Å; L400-V402 HydrophobicContact CB-CG2 4.49Å |
| 403 | E | 93.9 | Very high | 79.1 | Confident | 41 Ų | 41 | 68.7 Ų | 68.7 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 156 | 177.9 | -67.7 | 171.3 | -149 | 0 | 0 | 109.9 | Y322 L331 C332 K334 | Y322-E403 HydrophobicContact CD2-CG 3.92Å; Y322-E403 HydrophobicContact CE2-CG 3.57Å; L331-E403 CarbonylContact C-O 3.59Å; L331-E403 WeakPolarHBondContact CA-O 3.41Å; C332-E403 HydrophobicContact CB-CB 4.49Å; C332-E403 PolarHBondContact N-O 3.09Å; C332-E403 PolarHBondContact O-N 2.93Å; K334-E403 WeakPolarHBondContact CE-OE1 3.43Å; K334-E403 WeakPolarHBondContact CE-OE2 3.43Å; K334-E403 IonicContact NZ-OE1 3.32Å; K334-E403 PolarHBondContact NZ-OE1 3.25Å; K334-E403 IonicContact NZ-OE2 3.38Å; K334-E403 PolarHBondContact NZ-OE2 3.02Å |
| 404 | F | 94.2 | Very high | 77.7 | Confident | 21 Ų | 21 | 73.6 Ų | 73.6 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.3 | 166.1 | -68.3 | -66.6 | 0 | 0 | 0 | 110.8 | P324 K326 P327 S328 L331 A383 Q384 L387 | P324-F404 HydrophobicContact CB-CD2 4.3Å; P324-F404 HydrophobicContact CB-CE2 4.39Å; P324-F404 WeakPolarHBondContact O-CB 3.4Å; P324-F404 VanDerWaalsContact O-CD2 3.28Å; P324-F404 WeakPolarHBondContact O-CD2 3.3Å; P324-F404 PolarHBondContact O-N 2.88Å; K326-F404 WeakPolarHBondContact O-CB 3.41Å; K326-F404 WeakPolarHBondContact O-CD2 3.43Å; K326-F404 WeakPolarHBondContact O-CG 3.47Å; P327-F404 HydrophobicContact CB-CE1 4.49Å; P327-F404 HydrophobicContact CB-CE2 4.34Å; P327-F404 HydrophobicContact CB-CZ 4.19Å; S328-F404 VanDerWaalsContact N-CD1 3.34Å; S328-F404 WeakPolarHBondContact O-CD1 3.43Å; L331-F404 HydrophobicContact CD2-CD1 3.58Å; L331-F404 HydrophobicContact CD2-CE1 3.86Å; L331-F404 HydrophobicContact CD2-CG 4.45Å; A383-F404 HydrophobicContact CB-CE1 4.31Å; Q384-F404 HydrophobicContact CB-CZ 4.06Å; Q384-F404 HydrophobicContact CG-CZ 4.22Å; L387-F404 HydrophobicContact CD1-CD1 4.26Å; L387-F404 HydrophobicContact CD1-CD2 3.93Å; L387-F404 HydrophobicContact CD1-CE1 4.15Å; L387-F404 HydrophobicContact CD1-CE2 3.81Å; L387-F404 HydrophobicContact CD1-CG 4.16Å; L387-F404 HydrophobicContact CD1-CZ 3.93Å |
| 405 | G | 87.4 | Confident | 76.4 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 9% | 0.093 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 133.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S328 V330 E407 | S328-G405 WeakPolarHBondContact CB-O 3.49Å; S328-G405 PolarHBondContact OG-O 2.91Å; V330-G405 PolarHBondContact O-N 3.3Å; G405-E407 PolarHBondContact O-N 2.85Å |
| 406 | R | 78.1 | Confident | 75.4 | Confident | 215 Ų | 215 | 80.3 Ų | 80.3 | 81% | 0.811 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 116.3 | 171.6 | -59.3 | -178.7 | -175 | -165.4 | 0 | 109.1 | ||
| 407 | E | 64.8 | Low | 74.3 | Confident | 79 Ų | 79 | 81 Ų | 81 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 125.2 | 174 | -167.2 | 164.5 | -132.5 | 0 | 0 | 108.8 | K329 G405 Q409 E410 | K329-E407 VanDerWaalsContact CE-OE1 3.25Å; K329-E407 WeakPolarHBondContact CE-OE1 3.38Å; K329-E407 IonicContact NZ-OE1 3.43Å; K329-E407 PolarHBondContact NZ-OE1 3.38Å; G405-E407 PolarHBondContact O-N 2.85Å; E407-Q409 PolarHBondContact O-N 2.9Å; E407-E410 PolarHBondContact O-N 3.47Å |
| 408 | R | 59 | Low | 73.7 | Confident | 196 Ų | 196 | 84.2 Ų | 84.2 | 74% | 0.74 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -52.8 | -29.6 | -175.2 | -79.3 | -173.3 | -175.3 | 163.1 | 0.6 | 113.9 | E410 E411 E412 | R408-E410 PolarHBondContact O-N 2.9Å; R408-E411 PolarHBondContact O-N 3.18Å; R408-E412 PolarHBondContact O-N 3.35Å |
| 409 | Q | 54.7 | Low | 72.7 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -23.9 | 177.9 | -61.1 | -171.8 | 6 | 0 | 0 | 113.3 | E407 K413 | E407-Q409 PolarHBondContact O-N 2.9Å; Q409-K413 WeakPolarHBondContact O-CB 3.26Å; Q409-K413 WeakPolarHBondContact O-CD 3.44Å; Q409-K413 WeakPolarHBondContact O-CG 3.25Å; Q409-K413 PolarHBondContact O-N 3.3Å |
| 410 | E | 53.2 | Low | 71.8 | Confident | 77 Ų | 77 | 87.1 Ų | 87.1 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.6 | -31.1 | 170 | -88.4 | -149.3 | -169.5 | 0 | 0 | 112.7 | K326 E407 R408 R414 | K326-E410 WeakPolarHBondContact CD-OE1 3.28Å; K326-E410 IonicContact NZ-OE1 2.89Å; K326-E410 PolarHBondContact NZ-OE1 3.3Å; K326-E410 IonicContact NZ-OE2 3.91Å; K326-E410 PolarHBondContact NZ-OE2 3.08Å; E407-E410 PolarHBondContact O-N 3.47Å; R408-E410 PolarHBondContact O-N 2.9Å; E410-R414 WeakPolarHBondContact O-CB 3.35Å; E410-R414 VanDerWaalsContact O-CD 3.26Å; E410-R414 WeakPolarHBondContact O-CD 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.49Å; E410-R414 PolarHBondContact O-N 3.43Å; E410-R414 IonicContact OE2-CZ 2.81Å; E410-R414 IonicContact OE2-NE 2.62Å; E410-R414 IonicContact OE2-NH2 2.68Å; E410-R414 PolarHBondContact OE2-NH2 2.84Å |
| 411 | E | 53.7 | Low | 70.9 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.1 | -43.3 | -179.8 | -66.7 | -177.9 | 158.7 | 0 | 0 | 110.5 | R408 R414 M415 | R408-E411 PolarHBondContact O-N 3.18Å; E411-R414 PolarHBondContact O-N 2.62Å; E411-M415 WeakPolarHBondContact O-CG 3.43Å; E411-M415 PolarHBondContact O-N 3.1Å |
| 412 | E | 57 | Low | 70.2 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.9 | -52.8 | 173.7 | -70.2 | 164 | 176.8 | 0 | 0 | 111.1 | R408 R414 M415 E416 | R408-E412 PolarHBondContact O-N 3.35Å; E412-R414 VanDerWaalsContact C-N 3.28Å; E412-R414 PolarHBondContact O-N 3.46Å; E412-M415 PolarHBondContact O-N 3.47Å; E412-M415 VanDerWaalsContact O-N 3.16Å; E412-E416 WeakPolarHBondContact O-CG 3.26Å; E412-E416 PolarHBondContact O-N 2.92Å |
| 413 | K | 56.9 | Low | 69.3 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 178.3 | -71.8 | 172.7 | -175.5 | 170.6 | 0 | 114 | Q409 Q417 | Q409-K413 WeakPolarHBondContact O-CB 3.26Å; Q409-K413 WeakPolarHBondContact O-CD 3.44Å; Q409-K413 WeakPolarHBondContact O-CG 3.25Å; Q409-K413 PolarHBondContact O-N 3.3Å; K413-Q417 WeakPolarHBondContact O-CB 3.45Å; K413-Q417 VanDerWaalsContact O-CG 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.42Å; K413-Q417 PolarHBondContact O-N 3.34Å; K413-Q417 VanDerWaalsContact O-N 3.15Å |
| 414 | R | 61.6 | Low | 68.5 | Low | 125 Ų | 125 | 108 Ų | 108 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.9 | -44.3 | 174.6 | -76.8 | 167.7 | -167.3 | -127.6 | 15.2 | 111.3 | E410 E411 E412 E416 Q417 E418 | E410-R414 WeakPolarHBondContact O-CB 3.35Å; E410-R414 VanDerWaalsContact O-CD 3.26Å; E410-R414 WeakPolarHBondContact O-CD 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.49Å; E410-R414 PolarHBondContact O-N 3.43Å; E410-R414 IonicContact OE2-CZ 2.81Å; E410-R414 IonicContact OE2-NE 2.62Å; E410-R414 IonicContact OE2-NH2 2.68Å; E410-R414 PolarHBondContact OE2-NH2 2.84Å; E411-R414 PolarHBondContact O-N 2.62Å; E412-R414 VanDerWaalsContact C-N 3.28Å; E412-R414 PolarHBondContact O-N 3.46Å; R414-E416 VanDerWaalsContact C-N 3.33Å; R414-E416 PolarHBondContact O-N 3.42Å; R414-Q417 PolarHBondContact O-N 2.82Å; R414-E418 WeakPolarHBondContact O-CB 3.44Å; R414-E418 WeakPolarHBondContact O-CG 3.38Å; R414-E418 PolarHBondContact O-N 3.27Å |
| 415 | M | 63.8 | Low | 67.9 | Low | 142 Ų | 142 | 111 Ų | 111 | 70% | 0.7 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 177 | -70.9 | -176.6 | 176.6 | 0 | 0 | 111.7 | E411 E412 E418 G419 | E411-M415 WeakPolarHBondContact O-CG 3.43Å; E411-M415 PolarHBondContact O-N 3.1Å; E412-M415 PolarHBondContact O-N 3.47Å; E412-M415 VanDerWaalsContact O-N 3.16Å; M415-E418 PolarHBondContact O-N 3.46Å; M415-G419 PolarHBondContact O-N 2.9Å |
| 416 | E | 68.6 | Low | 67.4 | Low | 126 Ų | 126 | 116 Ų | 116 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -50.8 | 171.9 | -71.3 | 170.8 | 169.7 | 0 | 0 | 111.7 | E412 R414 E418 G419 E420 | E412-E416 WeakPolarHBondContact O-CG 3.26Å; E412-E416 PolarHBondContact O-N 2.92Å; R414-E416 VanDerWaalsContact C-N 3.33Å; R414-E416 PolarHBondContact O-N 3.42Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E416-E418 PolarHBondContact O-N 2.92Å; E416-G419 PolarHBondContact O-N 3.13Å; E416-E420 PolarHBondContact O-N 2.99Å |
| 417 | Q | 63.5 | Low | 67.4 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -30.3 | 179.4 | -74.4 | 178.6 | 20.5 | 0 | 0 | 114 | K413 R414 K421 | K413-Q417 WeakPolarHBondContact O-CB 3.45Å; K413-Q417 VanDerWaalsContact O-CG 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.42Å; K413-Q417 PolarHBondContact O-N 3.34Å; K413-Q417 VanDerWaalsContact O-N 3.15Å; R414-Q417 PolarHBondContact O-N 2.82Å; Q417-K421 VanDerWaalsContact O-CD 3.27Å; Q417-K421 WeakPolarHBondContact O-CD 3.35Å; Q417-K421 WeakPolarHBondContact O-CG 3.46Å; Q417-K421 PolarHBondContact O-N 2.86Å |
| 418 | E | 71.4 | Confident | 67.8 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.6 | -42.5 | 173.9 | -74.8 | 176 | 179.2 | 0 | 0 | 110.9 | R414 M415 E416 E420 K421 E422 | R414-E418 WeakPolarHBondContact O-CB 3.44Å; R414-E418 WeakPolarHBondContact O-CG 3.38Å; R414-E418 PolarHBondContact O-N 3.27Å; M415-E418 PolarHBondContact O-N 3.46Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E416-E418 PolarHBondContact O-N 2.92Å; E418-E420 PolarHBondContact O-N 3.3Å; E418-K421 PolarHBondContact O-N 3.48Å; E418-E422 PolarHBondContact O-N 2.97Å |
| 419 | G | 70.9 | Confident | 68.5 | Low | 32 Ų | 32 | 113.8 Ų | 113.8 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M415 E416 K421 E422 M423 | M415-G419 PolarHBondContact O-N 2.9Å; E416-G419 PolarHBondContact O-N 3.13Å; G419-K421 PolarHBondContact O-N 3.5Å; G419-E422 PolarHBondContact O-N 3.34Å; G419-M423 PolarHBondContact O-N 3.29Å |
| 420 | E | 74.2 | Confident | 69.5 | Low | 111 Ų | 111 | 115.4 Ų | 115.4 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.4 | -75.9 | -167.6 | 176.1 | 0 | 0 | 113.1 | E416 E418 K424 | E416-E420 PolarHBondContact O-N 2.99Å; E418-E420 PolarHBondContact O-N 3.3Å; E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 3Å; E420-K424 VanDerWaalsContact O-N 3.08Å |
| 421 | K | 73.8 | Confident | 70.4 | Confident | 121 Ų | 121 | 115.9 Ų | 115.9 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.3 | -73.4 | 165.4 | -168.6 | 164.5 | 0 | 110.7 | Q417 E418 G419 K424 I425 | Q417-K421 VanDerWaalsContact O-CD 3.27Å; Q417-K421 WeakPolarHBondContact O-CD 3.35Å; Q417-K421 WeakPolarHBondContact O-CG 3.46Å; Q417-K421 PolarHBondContact O-N 2.86Å; E418-K421 PolarHBondContact O-N 3.48Å; G419-K421 PolarHBondContact O-N 3.5Å; K421-K424 PolarHBondContact O-N 3.4Å; K421-I425 WeakPolarHBondContact O-CD1 3.25Å; K421-I425 VanDerWaalsContact O-CG1 3.28Å; K421-I425 WeakPolarHBondContact O-CG1 3.22Å; K421-I425 PolarHBondContact O-N 2.75Å |
| 422 | E | 79.1 | Confident | 71.1 | Confident | 106 Ų | 106 | 115.7 Ų | 115.7 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 179.8 | -146.4 | -162.4 | 148.4 | 0 | 0 | 112.2 | E418 G419 I425 K426 | E418-E422 PolarHBondContact O-N 2.97Å; G419-E422 PolarHBondContact O-N 3.34Å; E422-I425 PolarHBondContact O-N 2.76Å; E422-K426 VanDerWaalsContact CD-NZ 3.25Å; E422-K426 WeakPolarHBondContact O-CG 3.26Å; E422-K426 PolarHBondContact O-N 3.3Å; E422-K426 WeakPolarHBondContact OE1-CE 3.41Å; E422-K426 IonicContact OE1-NZ 3.84Å; E422-K426 PolarHBondContact OE1-NZ 3.46Å; E422-K426 IonicContact OE2-NZ 3.71Å |
| 423 | M | 76.7 | Confident | 71.7 | Confident | 132 Ų | 132 | 116.8 Ų | 116.8 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.5 | -46.8 | 172.3 | -76.1 | -152.3 | -79.6 | 0 | 0 | 112.1 | G419 I425 K426 E427 | G419-M423 PolarHBondContact O-N 3.29Å; M423-I425 VanDerWaalsContact C-N 3.3Å; M423-I425 PolarHBondContact O-N 3.12Å; M423-K426 PolarHBondContact O-N 2.95Å; M423-K426 VanDerWaalsContact O-N 3.13Å; M423-E427 WeakPolarHBondContact O-CB 3.26Å; M423-E427 PolarHBondContact O-N 3.35Å |
| 424 | K | 76.9 | Confident | 72.1 | Confident | 122 Ų | 122 | 115.9 Ų | 115.9 | 53% | 0.53 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 176.6 | -75.8 | 170.3 | 178.8 | 162 | 0 | 112.6 | E420 K421 Q428 | E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 3Å; E420-K424 VanDerWaalsContact O-N 3.08Å; K421-K424 PolarHBondContact O-N 3.4Å; K424-Q428 WeakPolarHBondContact O-CG 3.44Å; K424-Q428 PolarHBondContact O-N 2.98Å |
| 425 | I | 80.1 | Confident | 72.1 | Confident | 83 Ų | 83 | 117.3 Ų | 117.3 | 43% | 0.426 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -41.2 | 175.2 | -69 | 164.5 | 0 | 0 | 0 | 111.4 | K421 E422 M423 R429 | K421-I425 WeakPolarHBondContact O-CD1 3.25Å; K421-I425 VanDerWaalsContact O-CG1 3.28Å; K421-I425 WeakPolarHBondContact O-CG1 3.22Å; K421-I425 PolarHBondContact O-N 2.75Å; E422-I425 PolarHBondContact O-N 2.76Å; M423-I425 VanDerWaalsContact C-N 3.3Å; M423-I425 PolarHBondContact O-N 3.12Å; I425-R429 VanDerWaalsContact O-CG 3.3Å; I425-R429 WeakPolarHBondContact O-CG 3.48Å; I425-R429 PolarHBondContact O-N 2.87Å; I425-R429 VanDerWaalsContact O-N 3.13Å |
| 426 | K | 77.4 | Confident | 72.1 | Confident | 115 Ų | 115 | 120.3 Ų | 120.3 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -40.4 | 176.7 | -73.2 | 167.9 | -175 | 166.2 | 0 | 111.9 | E422 M423 R429 K430 | E422-K426 VanDerWaalsContact CD-NZ 3.25Å; E422-K426 WeakPolarHBondContact O-CG 3.26Å; E422-K426 PolarHBondContact O-N 3.3Å; E422-K426 WeakPolarHBondContact OE1-CE 3.41Å; E422-K426 IonicContact OE1-NZ 3.84Å; E422-K426 PolarHBondContact OE1-NZ 3.46Å; E422-K426 IonicContact OE2-NZ 3.71Å; M423-K426 PolarHBondContact O-N 2.95Å; M423-K426 VanDerWaalsContact O-N 3.13Å; K426-R429 PolarHBondContact O-N 2.59Å; K426-K430 WeakPolarHBondContact O-CB 3.42Å; K426-K430 PolarHBondContact O-N 3.41Å |
| 427 | E | 77.9 | Confident | 71.7 | Confident | 132 Ų | 132 | 119.8 Ų | 119.8 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -46 | 177.9 | -170.4 | 170.4 | -153.9 | 0 | 0 | 112.1 | M423 R429 K430 T431 | M423-E427 WeakPolarHBondContact O-CB 3.26Å; M423-E427 PolarHBondContact O-N 3.35Å; E427-R429 PolarHBondContact O-N 2.67Å; E427-K430 PolarHBondContact O-N 2.95Å; E427-T431 PolarHBondContact O-N 3.04Å; E427-T431 PolarHBondContact O-OG1 3.15Å |
| 428 | Q | 73.6 | Confident | 71.3 | Confident | 136 Ų | 136 | 120 Ų | 120 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.3 | -42.3 | 174.5 | -74.1 | 177.8 | 2.2 | 0 | 0 | 112.4 | K424 T431 T432 | K424-Q428 WeakPolarHBondContact O-CG 3.44Å; K424-Q428 PolarHBondContact O-N 2.98Å; Q428-T431 PolarHBondContact O-N 3.04Å; Q428-T432 WeakPolarHBondContact O-CB 3.32Å; Q428-T432 PolarHBondContact O-N 3.2Å; Q428-T432 PolarHBondContact O-OG1 3.06Å |
| 429 | R | 74.4 | Confident | 70.2 | Confident | 175 Ų | 175 | 125.9 Ų | 125.9 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.4 | -46.2 | 175.6 | -75.1 | 174.4 | -178.1 | -171.5 | 1.8 | 111.7 | I425 K426 E427 T431 T432 E433 | I425-R429 VanDerWaalsContact O-CG 3.3Å; I425-R429 WeakPolarHBondContact O-CG 3.48Å; I425-R429 PolarHBondContact O-N 2.87Å; I425-R429 VanDerWaalsContact O-N 3.13Å; K426-R429 PolarHBondContact O-N 2.59Å; E427-R429 PolarHBondContact O-N 2.67Å; R429-T431 PolarHBondContact O-N 2.77Å; R429-T432 WeakPolarHBondContact O-CB 3.43Å; R429-T432 PolarHBondContact O-N 3.3Å; R429-T432 VanDerWaalsContact O-N 3.12Å; R429-E433 PolarHBondContact O-N 2.92Å |
| 430 | K | 75.9 | Confident | 70.1 | Confident | 140 Ų | 140 | 130.6 Ų | 130.6 | 61% | 0.609 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.3 | -43.9 | 179.7 | -165.2 | 174.5 | -175.7 | -179.4 | 0 | 112.3 | K426 E427 T432 E433 I434 | K426-K430 WeakPolarHBondContact O-CB 3.42Å; K426-K430 PolarHBondContact O-N 3.41Å; E427-K430 PolarHBondContact O-N 2.95Å; K430-T432 VanDerWaalsContact C-N 3.31Å; K430-T432 PolarHBondContact O-N 3.45Å; K430-E433 PolarHBondContact O-N 3.4Å; K430-I434 HydrophobicContact CG-CD1 4.26Å; K430-I434 WeakPolarHBondContact O-CD1 3.16Å; K430-I434 VanDerWaalsContact O-CG1 3.3Å; K430-I434 WeakPolarHBondContact O-CG1 3.48Å; K430-I434 PolarHBondContact O-N 3.13Å |
| 431 | T | 70.4 | Confident | 69.9 | Low | 87 Ų | 87 | 131.6 Ų | 131.6 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.4 | -36 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 112 | E427 Q428 R429 H435 | E427-T431 PolarHBondContact O-N 3.04Å; E427-T431 PolarHBondContact O-OG1 3.15Å; Q428-T431 PolarHBondContact O-N 3.04Å; R429-T431 PolarHBondContact O-N 2.77Å; T431-H435 PolarHBondContact O-N 3.4Å; T431-H435 VanDerWaalsContact O-N 3.14Å |
| 432 | T | 69.5 | Low | 69.7 | Low | 85 Ų | 85 | 132.2 Ų | 132.2 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.3 | -34 | 177.6 | -47.8 | 0 | 0 | 0 | 0 | 112.5 | Q428 R429 K430 R436 | Q428-T432 WeakPolarHBondContact O-CB 3.32Å; Q428-T432 PolarHBondContact O-N 3.2Å; Q428-T432 PolarHBondContact O-OG1 3.06Å; R429-T432 WeakPolarHBondContact O-CB 3.43Å; R429-T432 PolarHBondContact O-N 3.3Å; R429-T432 VanDerWaalsContact O-N 3.12Å; K430-T432 VanDerWaalsContact C-N 3.31Å; K430-T432 PolarHBondContact O-N 3.45Å; T432-R436 PolarHBondContact O-N 3.38Å |
| 433 | E | 68.7 | Low | 69.2 | Low | 132 Ų | 132 | 133.7 Ų | 133.7 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69 | -44.1 | 173.3 | -78.9 | -177.7 | 130.6 | 0 | 0 | 112.4 | R429 K430 H435 R436 T437 | R429-E433 PolarHBondContact O-N 2.92Å; K430-E433 PolarHBondContact O-N 3.4Å; E433-H435 VanDerWaalsContact C-N 3.27Å; E433-H435 PolarHBondContact O-N 2.98Å; E433-R436 WeakPolarHBondContact O-CA 3.48Å; E433-R436 WeakPolarHBondContact O-CB 3.21Å; E433-R436 PolarHBondContact O-N 3.12Å; E433-T437 PolarHBondContact O-N 2.83Å; E433-T437 PolarHBondContact O-OG1 3.24Å; E433-T437 VanDerWaalsContact O-OG1 3.13Å |
| 434 | I | 66.5 | Low | 68.7 | Low | 94 Ų | 94 | 133.8 Ų | 133.8 | 48% | 0.482 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -60.6 | -38.7 | 176.8 | -66.3 | 163.1 | 0 | 0 | 0 | 110.8 | K430 R436 T437 | K430-I434 HydrophobicContact CG-CD1 4.26Å; K430-I434 WeakPolarHBondContact O-CD1 3.16Å; K430-I434 VanDerWaalsContact O-CG1 3.3Å; K430-I434 WeakPolarHBondContact O-CG1 3.48Å; K430-I434 PolarHBondContact O-N 3.13Å; I434-R436 PolarHBondContact O-N 3.07Å; I434-T437 PolarHBondContact O-N 2.9Å; I434-T437 PolarHBondContact O-OG1 3.07Å |
| 435 | H | 60.8 | Low | 68.1 | Low | 156 Ų | 156 | 134.6 Ų | 134.6 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -14.4 | 176.2 | -130.8 | 75.9 | 0 | 0 | 0 | 114 | T431 E433 | T431-H435 PolarHBondContact O-N 3.4Å; T431-H435 VanDerWaalsContact O-N 3.14Å; E433-H435 VanDerWaalsContact C-N 3.27Å; E433-H435 PolarHBondContact O-N 2.98Å |
| 436 | R | 65.1 | Low | 67.3 | Low | 205 Ų | 205 | 138.3 Ų | 138.3 | 77% | 0.774 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -90.8 | -19.8 | 174.7 | -98.9 | -177.1 | 173.7 | 171.6 | -1.2 | 113.8 | T432 E433 I434 | T432-R436 PolarHBondContact O-N 3.38Å; E433-R436 WeakPolarHBondContact O-CA 3.48Å; E433-R436 WeakPolarHBondContact O-CB 3.21Å; E433-R436 PolarHBondContact O-N 3.12Å; I434-R436 PolarHBondContact O-N 3.07Å |
| 437 | T | 59.8 | Low | 66.5 | Low | 115 Ų | 115 | 140.1 Ų | 140.1 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -98.1 | -6.4 | -179.3 | 40.2 | 0 | 0 | 0 | 0 | 114.3 | E433 I434 | E433-T437 PolarHBondContact O-N 2.83Å; E433-T437 PolarHBondContact O-OG1 3.24Å; E433-T437 VanDerWaalsContact O-OG1 3.13Å; I434-T437 PolarHBondContact O-N 2.9Å; I434-T437 PolarHBondContact O-OG1 3.07Å |
| 438 | C | 54.2 | Low | 65.6 | Low | 113 Ų | 113 | 140.8 Ų | 140.8 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | trans | -103 | 25.5 | 173.7 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 439 | K | 48 | Very low | 64.8 | Low | 251 Ų | 251 | 141.2 Ų | 141.2 | 100% | 1.091 | 68% | 0.68 | S | S | * | * | trans | -136 | 0 | 179.5 | -129.4 | -172.9 | -174.4 | -176.2 | 0 | 110.7 |
Retrieved 439 of 439 residues in 537.2 ms
(Link to these results)