| 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 | 37.6 | Very low | 50 | Low | 251 Ų | 251 | 116.9 Ų | 116.9 | 100% | 1.236 | 79% | 0.789 | S | S | * | * | 0 | 94 | 0 | -68.7 | -60.5 | -140.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 36.5 | Very low | 51.5 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | trans | -117.7 | 118.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | G | 42.5 | Very low | 52.8 | Low | 83 Ų | 83 | 123.2 Ų | 123.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 131.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | G | 40.5 | Very low | 54.1 | Low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -83.8 | 118.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A6 | G4-A6 PolarHBondContact O-N 3.07Š| ||
| 5 | E | 47.5 | Very low | 55.3 | Low | 201 Ų | 201 | 125.9 Ų | 125.9 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -62.4 | 102.2 | 164.2 | -94.2 | 176.4 | 123.5 | 0 | 0 | 108.9 | A7 | E5-A7 PolarHBondContact O-N 3.46Š| ||
| 6 | A | 49.3 | Very low | 56 | Low | 94 Ų | 94 | 123.4 Ų | 123.4 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -70 | 111.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107 | G4 G8 | G4-A6 PolarHBondContact O-N 3.07Å; A6-G8 PolarHBondContact O-N 3.35Å | ||
| 7 | A | 53.8 | Low | 56.9 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 88% | 0.876 | 72% | 0.723 | S | S | * | * | trans | -65.3 | 73.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | E5 V9 | E5-A7 PolarHBondContact O-N 3.46Å; A7-V9 PolarHBondContact O-N 3.39Å | ||
| 8 | G | 51.5 | Low | 57.8 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | -66.7 | 115.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | A6 D10 | A6-G8 PolarHBondContact O-N 3.35Å; G8-D10 PolarHBondContact O-N 3.4Å | ||
| 9 | V | 59.7 | Low | 58.5 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | trans | -60.7 | 105.6 | 166.6 | 177 | 0 | 0 | 0 | 0 | 106.2 | A7 L11 K14 | A7-V9 PolarHBondContact O-N 3.39Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 HydrophobicContact CG1-CD2 4.02Å; V9-L11 PolarHBondContact O-N 2.81Å; V9-K14 VanDerWaalsContact CG1-NZ 3.25Å | ||
| 10 | D | 65 | Low | 59.3 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | trans | -71.1 | 91.9 | -177.8 | -152.6 | -7.3 | 0 | 0 | 0 | 108.8 | G8 S12 | G8-D10 PolarHBondContact O-N 3.4Å; D10-S12 VanDerWaalsContact CG-OG 3.3Å; D10-S12 PolarHBondContact O-N 3.18Å; D10-S12 PolarHBondContact OD1-OG 3.08Å | ||
| 11 | L | 66.3 | Low | 59.6 | Low | 91 Ų | 91 | 116.2 Ų | 116.2 | 48% | 0.476 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -72.7 | -16.6 | -177.3 | -67.3 | 173.5 | 0 | 0 | 0 | 112 | V9 R13 K14 F15 | V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 HydrophobicContact CG1-CD2 4.02Å; V9-L11 PolarHBondContact O-N 2.81Å; L11-R13 PolarHBondContact O-N 2.98Å; L11-R13 VanDerWaalsContact O-N 3.17Å; L11-K14 HydrophobicContact CD2-CD 3.87Å; L11-K14 WeakPolarHBondContact O-CB 3.41Å; L11-K14 PolarHBondContact O-N 3.14Å; L11-F15 HydrophobicContact CB-CD2 4.45Å; L11-F15 HydrophobicContact CB-CE2 4.04Å; L11-F15 VanDerWaalsContact O-CD2 3.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.39Å |
| 12 | S | 67.8 | Low | 61 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -54.9 | -31.9 | 177.9 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | D10 | D10-S12 VanDerWaalsContact CG-OG 3.3Å; D10-S12 PolarHBondContact O-N 3.18Å; D10-S12 PolarHBondContact OD1-OG 3.08Å |
| 13 | R | 68.3 | Low | 62.8 | Low | 233 Ų | 233 | 108 Ų | 108 | 88% | 0.879 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -83.9 | -3.1 | 176.6 | -110.2 | 170.5 | 81 | -173.9 | 7.6 | 115.3 | L11 | L11-R13 PolarHBondContact O-N 2.98Å; L11-R13 VanDerWaalsContact O-N 3.17Å |
| 14 | K | 71.2 | Confident | 64.2 | Low | 137 Ų | 137 | 111.3 Ų | 111.3 | 60% | 0.596 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -13.6 | -178 | -59.1 | -174.4 | -172 | 177.9 | 0 | 113.4 | V9 L11 | V9-K14 VanDerWaalsContact CG1-NZ 3.25Å; L11-K14 HydrophobicContact CD2-CD 3.87Å; L11-K14 WeakPolarHBondContact O-CB 3.41Å; L11-K14 PolarHBondContact O-N 3.14Å |
| 15 | F | 72.6 | Confident | 65.5 | Low | 150 Ų | 150 | 113.9 Ų | 113.9 | 66% | 0.658 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -103.8 | 123.7 | 176.5 | -66.5 | -75.4 | 0 | 0 | 0 | 108.8 | L11 | L11-F15 HydrophobicContact CB-CD2 4.45Å; L11-F15 HydrophobicContact CB-CE2 4.04Å; L11-F15 VanDerWaalsContact O-CD2 3.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.39Å |
| 16 | V | 66.2 | Low | 66.7 | Low | 85 Ų | 85 | 110.6 Ų | 110.6 | 52% | 0.515 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 125.4 | 171.7 | -170.4 | 0 | 0 | 0 | 0 | 107.2 | E20 L21 | V16-E20 HydrophobicContact CG1-CB 3.88Å; V16-E20 HydrophobicContact CG1-CG 3.99Å; V16-L21 HydrophobicContact CB-CD2 4.43Å; V16-L21 HydrophobicContact CB-CG 4.38Å; V16-L21 HydrophobicContact CG1-CD2 3.75Å; V16-L21 HydrophobicContact CG1-CG 3.67Å |
| 17 | S | 71.9 | Confident | 67.9 | Low | 55 Ų | 55 | 111.9 Ų | 111.9 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 150.8 | 175 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | S19 E20 L21 | S17-S19 PolarHBondContact O-N 3Å; S17-S19 PolarHBondContact OG-OG 2.98Å; S17-S19 VanDerWaalsContact OG-OG 3.08Å; S17-E20 WeakPolarHBondContact O-CB 3.5Å; S17-E20 PolarHBondContact O-N 3.36Å; S17-E20 WeakPolarHBondContact OG-CB 3.47Å; S17-E20 PolarHBondContact OG-N 3.21Å; S17-L21 PolarHBondContact O-N 3.24Å; S17-L21 VanDerWaalsContact O-N 3.13Å |
| 18 | E | 73.1 | Confident | 68.3 | Low | 158 Ų | 158 | 109.8 Ų | 109.8 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -50.9 | -43.5 | 177.1 | -178 | 177.9 | -159.3 | 0 | 0 | 111.7 | E20 L21 D22 | E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 3.19Å; E18-L21 PolarHBondContact O-N 3.41Å; E18-D22 PolarHBondContact O-N 2.93Å |
| 19 | S | 71.1 | Confident | 68.9 | Low | 70 Ų | 70 | 109 Ų | 109 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 175.4 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | S17 D22 E23 | S17-S19 PolarHBondContact O-N 3Å; S17-S19 PolarHBondContact OG-OG 2.98Å; S17-S19 VanDerWaalsContact OG-OG 3.08Å; S19-D22 PolarHBondContact O-N 2.97Å; S19-E23 WeakPolarHBondContact O-CB 3.47Å; S19-E23 VanDerWaalsContact O-CG 3.29Å; S19-E23 WeakPolarHBondContact O-CG 3.41Å; S19-E23 PolarHBondContact O-N 3.41Å |
| 20 | E | 74.4 | Confident | 69.3 | Low | 107 Ų | 107 | 108.7 Ų | 108.7 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.5 | -30.9 | -179.8 | -172.8 | 177.3 | -175 | 0 | 0 | 111.8 | V16 S17 E18 R24 | V16-E20 HydrophobicContact CG1-CB 3.88Å; V16-E20 HydrophobicContact CG1-CG 3.99Å; S17-E20 WeakPolarHBondContact O-CB 3.5Å; S17-E20 PolarHBondContact O-N 3.36Å; S17-E20 WeakPolarHBondContact OG-CB 3.47Å; S17-E20 PolarHBondContact OG-N 3.21Å; E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 3.19Å; E20-R24 VanDerWaalsContact O-CB 3.3Å; E20-R24 WeakPolarHBondContact O-CB 3.26Å; E20-R24 PolarHBondContact O-N 2.93Å |
| 21 | L | 64.3 | Low | 69.4 | Low | 77 Ų | 77 | 109.8 Ų | 109.8 | 40% | 0.403 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 170 | -73.7 | 178.7 | 0 | 0 | 0 | 111.5 | V16 S17 E18 R24 R25 | V16-L21 HydrophobicContact CB-CD2 4.43Å; V16-L21 HydrophobicContact CB-CG 4.38Å; V16-L21 HydrophobicContact CG1-CD2 3.75Å; V16-L21 HydrophobicContact CG1-CG 3.67Å; S17-L21 PolarHBondContact O-N 3.24Å; S17-L21 VanDerWaalsContact O-N 3.13Å; E18-L21 PolarHBondContact O-N 3.41Å; L21-R24 PolarHBondContact O-N 3.28Å; L21-R25 WeakPolarHBondContact O-CG 3.31Å; L21-R25 PolarHBondContact O-N 3.48Å |
| 22 | D | 67.4 | Low | 69.3 | Low | 73 Ų | 73 | 109.6 Ų | 109.6 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -38.2 | 179.8 | -70 | -21.3 | 0 | 0 | 0 | 112.2 | E18 S19 R24 R25 K26 | E18-D22 PolarHBondContact O-N 2.93Å; S19-D22 PolarHBondContact O-N 2.97Å; D22-R24 VanDerWaalsContact C-N 3.3Å; D22-R24 PolarHBondContact O-N 2.92Å; D22-R25 PolarHBondContact O-N 3.4Å; D22-R25 IonicContact OD1-NH1 2.8Å; D22-R25 PolarHBondContact OD1-NH1 2.89Å; D22-K26 VanDerWaalsContact O-CB 3.26Å; D22-K26 WeakPolarHBondContact O-CB 3.44Å; D22-K26 PolarHBondContact O-N 2.89Å |
| 23 | E | 75.4 | Confident | 69.1 | Low | 111 Ų | 111 | 110.9 Ų | 110.9 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 171.1 | -76.1 | 179 | -164.9 | 0 | 0 | 112.2 | S19 K26 K27 | S19-E23 WeakPolarHBondContact O-CB 3.47Å; S19-E23 VanDerWaalsContact O-CG 3.29Å; S19-E23 WeakPolarHBondContact O-CG 3.41Å; S19-E23 PolarHBondContact O-N 3.41Å; E23-K26 PolarHBondContact O-N 3.43Å; E23-K27 WeakPolarHBondContact O-CG 3.31Å; E23-K27 PolarHBondContact O-N 3.23Å |
| 24 | R | 71.1 | Confident | 69.2 | Low | 153 Ų | 153 | 108.7 Ų | 108.7 | 58% | 0.577 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.5 | -39.6 | 176 | -174.2 | 172.3 | 177.2 | 159.9 | -2.7 | 112 | E20 L21 D22 R28 | E20-R24 VanDerWaalsContact O-CB 3.3Å; E20-R24 WeakPolarHBondContact O-CB 3.26Å; E20-R24 PolarHBondContact O-N 2.93Å; L21-R24 PolarHBondContact O-N 3.28Å; D22-R24 VanDerWaalsContact C-N 3.3Å; D22-R24 PolarHBondContact O-N 2.92Å; R24-R28 WeakPolarHBondContact O-CB 3.37Å; R24-R28 PolarHBondContact O-N 3.1Å |
| 25 | R | 68.4 | Low | 68.7 | Low | 132 Ų | 132 | 107.4 Ų | 107.4 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 171 | -73.6 | 172.1 | -179.7 | 153.3 | -7.1 | 111.1 | L21 D22 R28 Q29 | L21-R25 WeakPolarHBondContact O-CG 3.31Å; L21-R25 PolarHBondContact O-N 3.48Å; D22-R25 PolarHBondContact O-N 3.4Å; D22-R25 IonicContact OD1-NH1 2.8Å; D22-R25 PolarHBondContact OD1-NH1 2.89Å; R25-R28 PolarHBondContact O-N 2.67Å; R25-Q29 WeakPolarHBondContact O-CB 3.37Å; R25-Q29 PolarHBondContact O-N 3.33Å |
| 26 | K | 72.6 | Confident | 67.7 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -45.3 | 179.7 | -167.5 | -177 | 179.9 | -173.8 | 0 | 112.5 | D22 E23 R28 Q29 E30 | D22-K26 VanDerWaalsContact O-CB 3.26Å; D22-K26 WeakPolarHBondContact O-CB 3.44Å; D22-K26 PolarHBondContact O-N 2.89Å; E23-K26 PolarHBondContact O-N 3.43Å; K26-R28 VanDerWaalsContact C-N 3.3Å; K26-R28 PolarHBondContact O-N 2.83Å; K26-Q29 WeakPolarHBondContact O-CB 3.41Å; K26-Q29 PolarHBondContact O-N 3.12Å; K26-E30 WeakPolarHBondContact CE-OE1 3.3Å; K26-E30 WeakPolarHBondContact CG-OE1 3.33Å; K26-E30 WeakPolarHBondContact O-CB 3.36Å; K26-E30 VanDerWaalsContact O-CG 3.26Å; K26-E30 WeakPolarHBondContact O-CG 3.49Å; K26-E30 PolarHBondContact O-N 2.9Å |
| 27 | K | 73.2 | Confident | 67.5 | Low | 122 Ų | 122 | 106.7 Ų | 106.7 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.9 | -75.1 | 174 | -178.5 | 169.1 | 0 | 112.1 | E23 E30 E31 | E23-K27 WeakPolarHBondContact O-CG 3.31Å; E23-K27 PolarHBondContact O-N 3.23Å; K27-E30 PolarHBondContact O-N 2.65Å; K27-E31 WeakPolarHBondContact O-CB 3.31Å; K27-E31 VanDerWaalsContact O-CG 3.3Å; K27-E31 WeakPolarHBondContact O-CG 3.31Å; K27-E31 PolarHBondContact O-N 3.42Å |
| 28 | R | 63.2 | Low | 66.9 | Low | 61 Ų | 61 | 110 Ų | 110 | 23% | 0.23 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 175.7 | -166.7 | -171.3 | -65.5 | 127.3 | -4.5 | 111.9 | R24 R25 K26 E31 W32 V44 E47 | R24-R28 WeakPolarHBondContact O-CB 3.37Å; R24-R28 PolarHBondContact O-N 3.1Å; R25-R28 PolarHBondContact O-N 2.67Å; K26-R28 VanDerWaalsContact C-N 3.3Å; K26-R28 PolarHBondContact O-N 2.83Å; R28-E31 PolarHBondContact O-N 2.8Å; R28-W32 WeakPolarHBondContact O-CB 3.37Å; R28-W32 PolarHBondContact O-N 2.9Å; R28-V44 HydrophobicContact CG-CG1 3.99Å; R28-E47 IonicContact CZ-OE1 2.94Å; R28-E47 IonicContact CZ-OE2 3.36Å; R28-E47 IonicContact NE-OE1 2.73Å; R28-E47 IonicContact NH2-OE1 2.72Å; R28-E47 PolarHBondContact NH2-OE1 2.9Å; R28-E47 IonicContact NH2-OE2 3.9Å; R28-E47 PolarHBondContact NH2-OE2 3.11Å |
| 29 | Q | 63.5 | Low | 66 | Low | 44 Ų | 44 | 110 Ų | 110 | 21% | 0.206 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.5 | -176.1 | 67.6 | 23 | 0 | 0 | 111.7 | R25 K26 E31 W32 E33 E42 | R25-Q29 WeakPolarHBondContact O-CB 3.37Å; R25-Q29 PolarHBondContact O-N 3.33Å; K26-Q29 WeakPolarHBondContact O-CB 3.41Å; K26-Q29 PolarHBondContact O-N 3.12Å; Q29-E31 VanDerWaalsContact C-N 3.33Å; Q29-E31 PolarHBondContact O-N 3.33Å; Q29-W32 WeakPolarHBondContact O-CB 3.45Å; Q29-W32 PolarHBondContact O-N 3.33Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.46Å; Q29-E33 PolarHBondContact NE2-OE1 3.39Å; Q29-E33 WeakPolarHBondContact O-CB 3.28Å; Q29-E33 VanDerWaalsContact O-CG 3.31Å; Q29-E33 WeakPolarHBondContact O-CG 3.35Å; Q29-E33 PolarHBondContact O-N 2.75Å; Q29-E42 PolarHBondContact NE2-O 3.46Å |
| 30 | E | 68.7 | Low | 65.3 | Low | 95 Ų | 95 | 110.1 Ų | 110.1 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 176.1 | -71.5 | 168.9 | -173.6 | 0 | 0 | 111.7 | K26 K27 K34 | K26-E30 WeakPolarHBondContact CE-OE1 3.3Å; K26-E30 WeakPolarHBondContact CG-OE1 3.33Å; K26-E30 WeakPolarHBondContact O-CB 3.36Å; K26-E30 VanDerWaalsContact O-CG 3.26Å; K26-E30 WeakPolarHBondContact O-CG 3.49Å; K26-E30 PolarHBondContact O-N 2.9Å; K27-E30 PolarHBondContact O-N 2.65Å; E30-K34 VanDerWaalsContact O-CB 3.31Å; E30-K34 WeakPolarHBondContact O-CB 3.44Å; E30-K34 PolarHBondContact O-N 2.98Å |
| 31 | E | 67.8 | Low | 64.5 | Low | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -35.6 | 173.6 | -74.5 | 175.4 | -177.5 | 0 | 0 | 112.3 | K27 R28 Q29 V35 | K27-E31 WeakPolarHBondContact O-CB 3.31Å; K27-E31 VanDerWaalsContact O-CG 3.3Å; K27-E31 WeakPolarHBondContact O-CG 3.31Å; K27-E31 PolarHBondContact O-N 3.42Å; R28-E31 PolarHBondContact O-N 2.8Å; Q29-E31 VanDerWaalsContact C-N 3.33Å; Q29-E31 PolarHBondContact O-N 3.33Å; E31-V35 WeakPolarHBondContact O-CG2 3.47Å; E31-V35 PolarHBondContact O-N 2.9Å |
| 32 | W | 63.2 | Low | 64 | Low | 88 Ų | 88 | 113 Ų | 113 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 174.2 | -173.7 | -116.8 | 0 | 0 | 0 | 112.3 | R28 Q29 K34 V35 R36 V44 | R28-W32 WeakPolarHBondContact O-CB 3.37Å; R28-W32 PolarHBondContact O-N 2.9Å; Q29-W32 WeakPolarHBondContact O-CB 3.45Å; Q29-W32 PolarHBondContact O-N 3.33Å; W32-K34 PolarHBondContact O-N 2.76Å; W32-V35 CarbonylContact O-C 3.56Å; W32-V35 PolarHBondContact O-N 3.1Å; W32-R36 WeakPolarHBondContact O-CB 3.26Å; W32-R36 PolarHBondContact O-N 3.48Å; W32-V44 HydrophobicContact CB-CG2 3.17Å; W32-V44 HydrophobicContact CD2-CG2 4.01Å; W32-V44 HydrophobicContact CG-CG2 3.24Å |
| 33 | E | 64.5 | Low | 63.4 | Low | 110 Ų | 110 | 117.4 Ų | 117.4 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.8 | -32.6 | 175.9 | -75.2 | 173.8 | -170.1 | 0 | 0 | 112.2 | Q29 V35 | Q29-E33 WeakPolarHBondContact CG-OE1 3.46Å; Q29-E33 PolarHBondContact NE2-OE1 3.39Å; Q29-E33 WeakPolarHBondContact O-CB 3.28Å; Q29-E33 VanDerWaalsContact O-CG 3.31Å; Q29-E33 WeakPolarHBondContact O-CG 3.35Å; Q29-E33 PolarHBondContact O-N 2.75Å; E33-V35 VanDerWaalsContact C-N 3.31Å; E33-V35 PolarHBondContact O-N 3.14Å |
| 34 | K | 69.4 | Low | 62.4 | Low | 187 Ų | 187 | 113.6 Ų | 113.6 | 81% | 0.813 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.3 | -25.4 | 175.3 | -171.5 | 175.4 | -179.7 | -178.2 | 0 | 113.6 | E30 W32 | E30-K34 VanDerWaalsContact O-CB 3.31Å; E30-K34 WeakPolarHBondContact O-CB 3.44Å; E30-K34 PolarHBondContact O-N 2.98Å; W32-K34 PolarHBondContact O-N 2.76Å |
| 35 | V | 61.6 | Low | 61.9 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 67% | 0.667 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -107.1 | -8.4 | -178.1 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | E31 W32 E33 | E31-V35 WeakPolarHBondContact O-CG2 3.47Å; E31-V35 PolarHBondContact O-N 2.9Å; W32-V35 CarbonylContact O-C 3.56Å; W32-V35 PolarHBondContact O-N 3.1Å; E33-V35 VanDerWaalsContact C-N 3.31Å; E33-V35 PolarHBondContact O-N 3.14Å |
| 36 | R | 51.9 | Low | 61.4 | Low | 76 Ų | 76 | 112.6 Ų | 112.6 | 29% | 0.287 | 55% | 0.551 | S | S | . | * | trans | -57 | 140.3 | -175.3 | -163.1 | -165 | 179.3 | 88.4 | -3.6 | 114.3 | W32 D40 P41 E42 | W32-R36 WeakPolarHBondContact O-CB 3.26Å; W32-R36 PolarHBondContact O-N 3.48Å; R36-D40 PolarHBondContact NH2-O 3.47Å; R36-P41 PolarHBondContact NH1-O 2.82Å; R36-P41 VanDerWaalsContact NH2-C 3.31Å; R36-P41 PolarHBondContact NH2-O 3.2Å; R36-E42 VanDerWaalsContact NH1-CA 3.29Å; R36-E42 VanDerWaalsContact NH2-CA 3.3Å; R36-E42 VanDerWaalsContact NH2-N 3.19Å | ||
| 37 | K | 61.3 | Low | 60.8 | Low | 144 Ų | 144 | 111.8 Ų | 111.8 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | trans | -104.2 | 159.9 | 165 | -60.3 | -60.5 | 178.7 | -171.4 | 0 | 110.5 | D39 D40 | K37-D39 PolarHBondContact O-N 3.08Å; K37-D40 PolarHBondContact O-N 3.14Å | ||
| 38 | P | 58.9 | Low | 60.1 | Low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -16.9 | -169.5 | -23.1 | 32.7 | 0 | 0 | 0 | 116.7 | ||
| 39 | D | 53.7 | Low | 60.1 | Low | 159 Ų | 159 | 122.4 Ų | 122.4 | 85% | 0.85 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 0.8 | -173.6 | -64.2 | -44.6 | 0 | 0 | 0 | 114.4 | K37 | K37-D39 PolarHBondContact O-N 3.08Š|
| 40 | D | 57.4 | Low | 60.4 | Low | 72 Ų | 72 | 123.4 Ų | 123.4 | 39% | 0.385 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -85.2 | 149.2 | 179.4 | -78.5 | -37.3 | 0 | 0 | 0 | 111.9 | R36 K37 | R36-D40 PolarHBondContact NH2-O 3.47Å; K37-D40 PolarHBondContact O-N 3.14Å |
| 41 | P | 56.8 | Low | 60.8 | Low | 88 Ų | 88 | 124.3 Ų | 124.3 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | trans | -64 | 146.1 | -177.1 | 19.1 | -28.6 | 0 | 0 | 0 | 114.9 | R36 E43 | R36-P41 PolarHBondContact NH1-O 2.82Å; R36-P41 VanDerWaalsContact NH2-C 3.31Å; R36-P41 PolarHBondContact NH2-O 3.2Å; P41-E43 PolarHBondContact O-N 3.34Å | ||
| 42 | E | 53.7 | Low | 61.4 | Low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -62.6 | -33.2 | -175.3 | -84.7 | -176.8 | 162.5 | 0 | 0 | 115.1 | Q29 R36 | Q29-E42 PolarHBondContact NE2-O 3.46Å; R36-E42 VanDerWaalsContact NH1-CA 3.29Å; R36-E42 VanDerWaalsContact NH2-CA 3.3Å; R36-E42 VanDerWaalsContact NH2-N 3.19Å |
| 43 | E | 55 | Low | 62.4 | Low | 166 Ų | 166 | 121.9 Ų | 121.9 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -99.7 | 125.6 | -178.5 | -65.5 | -173.6 | 161.2 | 0 | 0 | 110.8 | P41 | P41-E43 PolarHBondContact O-N 3.34Š|
| 44 | V | 55.8 | Low | 63.4 | Low | 31 Ų | 31 | 122.7 Ų | 122.7 | 19% | 0.188 | 62% | 0.62 | C | S | . | * | P | Polyproline II helix | trans | -53.2 | 127.7 | 168.5 | 164.7 | 0 | 0 | 0 | 0 | 109.2 | R28 W32 E46 | R28-V44 HydrophobicContact CG-CG1 3.99Å; W32-V44 HydrophobicContact CB-CG2 3.17Å; W32-V44 HydrophobicContact CD2-CG2 4.01Å; W32-V44 HydrophobicContact CG-CG2 3.24Å; V44-E46 PolarHBondContact O-N 3.3Å |
| 45 | P | 58.6 | Low | 64.2 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.5 | 172.9 | -28 | 35.3 | 0 | 0 | 0 | 111 | E47 | P45-E47 PolarHBondContact O-N 2.96Š|
| 46 | E | 58.9 | Low | 65.5 | Low | 171 Ų | 171 | 119.1 Ų | 119.1 | 80% | 0.799 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -55 | 129.9 | 178.5 | -169.3 | 172.7 | -168.6 | 0 | 0 | 109.4 | V44 E48 | V44-E46 PolarHBondContact O-N 3.3Å; E46-E48 PolarHBondContact O-N 3.38Å; E46-E48 VanDerWaalsContact O-N 3.08Å |
| 47 | E | 59.8 | Low | 67.2 | Low | 115 Ų | 115 | 122 Ų | 122 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -54 | 118.3 | -175.5 | -158.7 | 168.9 | -134.3 | 0 | 0 | 108.5 | R28 P45 Y49 | R28-E47 IonicContact CZ-OE1 2.94Å; R28-E47 IonicContact CZ-OE2 3.36Å; R28-E47 IonicContact NE-OE1 2.73Å; R28-E47 IonicContact NH2-OE1 2.72Å; R28-E47 PolarHBondContact NH2-OE1 2.9Å; R28-E47 IonicContact NH2-OE2 3.9Å; R28-E47 PolarHBondContact NH2-OE2 3.11Å; P45-E47 PolarHBondContact O-N 2.96Å; E47-Y49 PolarHBondContact O-N 3.48Å |
| 48 | E | 58 | Low | 68.6 | Low | 190 Ų | 190 | 119.7 Ų | 119.7 | 89% | 0.888 | 60% | 0.6 | S | S | * | * | trans | -47.8 | 114.6 | -172.7 | -78.1 | 178.1 | 163.7 | 0 | 0 | 110.2 | E46 D50 | E46-E48 PolarHBondContact O-N 3.38Å; E46-E48 VanDerWaalsContact O-N 3.08Å; E48-D50 PolarHBondContact O-N 3.46Å; E48-D50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | Y | 63.4 | Low | 70.2 | Confident | 215 Ų | 215 | 117.1 Ų | 117.1 | 84% | 0.843 | 58% | 0.577 | S | S | * | * | trans | -53.9 | 119 | 173.4 | 179.3 | -96.6 | 0 | 0 | 0 | 108.4 | E47 S51 | E47-Y49 PolarHBondContact O-N 3.48Å; Y49-S51 PolarHBondContact O-N 2.86Å | ||
| 50 | D | 69.6 | Low | 71.8 | Confident | 66 Ų | 66 | 113.5 Ų | 113.5 | 35% | 0.353 | 56% | 0.555 | S | S | . | * | trans | -56.9 | 105.3 | 178.1 | -171.8 | -4.7 | 0 | 0 | 0 | 108 | E48 R52 | E48-D50 PolarHBondContact O-N 3.46Å; E48-D50 VanDerWaalsContact O-N 3.12Å; D50-R52 PolarHBondContact O-N 2.93Å; D50-R52 WeakPolarHBondContact OD1-CB 3.43Å; D50-R52 WeakPolarHBondContact OD1-CG 3.46Å; D50-R52 IonicContact OD1-CZ 3.71Å; D50-R52 PolarHBondContact OD1-N 3.2Å; D50-R52 IonicContact OD1-NE 3.53Å; D50-R52 PolarHBondContact OD1-NE 3.23Å; D50-R52 IonicContact OD1-NH2 2.67Å; D50-R52 IonicContact OD2-CZ 3.68Å; D50-R52 IonicContact OD2-NE 3.64Å; D50-R52 PolarHBondContact OD2-NE 3.42Å; D50-R52 IonicContact OD2-NH2 3.65Å; D50-R52 PolarHBondContact OD2-NH2 3.23Å | ||
| 51 | S | 77.9 | Confident | 73.5 | Confident | 114 Ų | 114 | 114.9 Ų | 114.9 | 80% | 0.797 | 56% | 0.56 | S | S | * | * | trans | -72.8 | -9.4 | -174.2 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | Y49 | Y49-S51 PolarHBondContact O-N 2.86Š| ||
| 52 | R | 79.9 | Confident | 75.3 | Confident | 110 Ų | 110 | 118.4 Ų | 118.4 | 42% | 0.415 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -69 | 140.4 | 173.3 | -63.4 | 178.4 | -64 | 167.9 | 6.9 | 110 | D50 D56 E60 | D50-R52 PolarHBondContact O-N 2.93Å; D50-R52 WeakPolarHBondContact OD1-CB 3.43Å; D50-R52 WeakPolarHBondContact OD1-CG 3.46Å; D50-R52 IonicContact OD1-CZ 3.71Å; D50-R52 PolarHBondContact OD1-N 3.2Å; D50-R52 IonicContact OD1-NE 3.53Å; D50-R52 PolarHBondContact OD1-NE 3.23Å; D50-R52 IonicContact OD1-NH2 2.67Å; D50-R52 IonicContact OD2-CZ 3.68Å; D50-R52 IonicContact OD2-NE 3.64Å; D50-R52 PolarHBondContact OD2-NE 3.42Å; D50-R52 IonicContact OD2-NH2 3.65Å; D50-R52 PolarHBondContact OD2-NH2 3.23Å; R52-D56 HydrophobicContact CB-CB 4.18Å; R52-E60 IonicContact CZ-OE1 2.71Å; R52-E60 IonicContact CZ-OE2 2.81Å; R52-E60 IonicContact NH1-OE1 2.92Å; R52-E60 PolarHBondContact NH1-OE1 3.31Å; R52-E60 IonicContact NH1-OE2 3.41Å; R52-E60 PolarHBondContact NH1-OE2 3.12Å |
| 53 | C | 85.1 | Confident | 77.2 | Confident | 63 Ų | 63 | 115 Ų | 115 | 43% | 0.426 | 55% | 0.55 | S | S | . | . | trans | -69.9 | 156.2 | 179.9 | 75.6 | 0 | 0 | 0 | 0 | 110.1 | Y55 D56 R57 | C53-Y55 PolarHBondContact O-N 3.28Å; C53-D56 PolarHBondContact N-OD2 3.44Å; C53-D56 VanDerWaalsContact N-OD2 3.15Å; C53-D56 PolarHBondContact O-N 3.47Å; C53-D56 PolarHBondContact SG-N 3.31Å; C53-D56 PolarHBondContact SG-OD1 3.26Å; C53-D56 PolarHBondContact SG-OD2 2.75Å; C53-R57 PolarHBondContact O-N 3.08Å | ||
| 54 | L | 84.1 | Confident | 79.1 | Confident | 127 Ų | 127 | 113.2 Ų | 113.2 | 67% | 0.665 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -53.7 | -32.5 | 177.8 | 179.5 | 63.8 | 0 | 0 | 0 | 112.1 | R57 L58 | L54-R57 PolarHBondContact O-N 3.07Å; L54-L58 HydrophobicContact CD1-CD1 4.48Å; L54-L58 HydrophobicContact CD1-CG 4.43Å; L54-L58 HydrophobicContact CG-CD1 4.12Å; L54-L58 HydrophobicContact CG-CG 4.48Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.34Å |
| 55 | Y | 87.8 | Confident | 80.9 | Confident | 159 Ų | 159 | 118.9 Ų | 118.9 | 62% | 0.624 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.1 | -45.9 | 176.6 | 170.8 | -92.6 | 0 | 0 | 0 | 112 | C53 R57 L58 Q59 | C53-Y55 PolarHBondContact O-N 3.28Å; Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 3.5Å; Y55-L58 PolarHBondContact O-N 2.94Å; Y55-Q59 VanDerWaalsContact O-CB 3.27Å; Y55-Q59 WeakPolarHBondContact O-CB 3.38Å; Y55-Q59 PolarHBondContact O-N 3.34Å; Y55-Q59 PolarHBondContact OH-OE1 3.02Å |
| 56 | D | 87.7 | Confident | 82.5 | Confident | 63 Ų | 63 | 118.8 Ų | 118.8 | 34% | 0.337 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.9 | -43.7 | 177.7 | -58.2 | -33 | 0 | 0 | 0 | 110.7 | R52 C53 L58 Q59 E60 | R52-D56 HydrophobicContact CB-CB 4.18Å; C53-D56 PolarHBondContact N-OD2 3.44Å; C53-D56 VanDerWaalsContact N-OD2 3.15Å; C53-D56 PolarHBondContact O-N 3.47Å; C53-D56 PolarHBondContact SG-N 3.31Å; C53-D56 PolarHBondContact SG-OD1 3.26Å; C53-D56 PolarHBondContact SG-OD2 2.75Å; D56-L58 PolarHBondContact O-N 3.11Å; D56-Q59 PolarHBondContact O-N 3.27Å; D56-E60 WeakPolarHBondContact O-CB 3.34Å; D56-E60 WeakPolarHBondContact O-CG 3.48Å; D56-E60 PolarHBondContact O-N 2.98Å |
| 57 | R | 87.8 | Confident | 83.9 | Confident | 138 Ų | 138 | 115.6 Ų | 115.6 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.1 | -173.3 | 178.2 | -179.6 | -179.5 | 2.1 | 112.8 | C53 L54 Y55 Q61 | C53-R57 PolarHBondContact O-N 3.08Å; L54-R57 PolarHBondContact O-N 3.07Å; Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 3.5Å; R57-Q61 WeakPolarHBondContact O-CG 3.2Å; R57-Q61 PolarHBondContact O-N 2.94Å; R57-Q61 VanDerWaalsContact O-N 3.17Å |
| 58 | L | 91.5 | Very high | 85.3 | Confident | 95 Ų | 95 | 114.1 Ų | 114.1 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.2 | -36.5 | 177 | -73 | 175.1 | 0 | 0 | 0 | 111.5 | L54 Y55 D56 Q61 K62 | L54-L58 HydrophobicContact CD1-CD1 4.48Å; L54-L58 HydrophobicContact CD1-CG 4.43Å; L54-L58 HydrophobicContact CG-CD1 4.12Å; L54-L58 HydrophobicContact CG-CG 4.48Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.34Å; Y55-L58 PolarHBondContact O-N 2.94Å; D56-L58 PolarHBondContact O-N 3.11Å; L58-Q61 PolarHBondContact O-N 3.3Å; L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 2.99Å |
| 59 | Q | 91 | Very high | 86.7 | Confident | 69 Ų | 69 | 110 Ų | 110 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 176.2 | -173.3 | 174.5 | -40.9 | 0 | 0 | 110.4 | Y55 D56 Q61 K62 E63 | Y55-Q59 VanDerWaalsContact O-CB 3.27Å; Y55-Q59 WeakPolarHBondContact O-CB 3.38Å; Y55-Q59 PolarHBondContact O-N 3.34Å; Y55-Q59 PolarHBondContact OH-OE1 3.02Å; D56-Q59 PolarHBondContact O-N 3.27Å; Q59-Q61 VanDerWaalsContact C-N 3.3Å; Q59-Q61 PolarHBondContact O-N 3.13Å; Q59-K62 WeakPolarHBondContact O-CB 3.49Å; Q59-K62 PolarHBondContact O-N 3.26Å; Q59-E63 HydrophobicContact CG-CG 4.24Å; Q59-E63 VanDerWaalsContact CG-OE1 3.27Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.39Å; Q59-E63 PolarHBondContact NE2-OE1 3.01Å; Q59-E63 WeakPolarHBondContact O-CB 3.23Å; Q59-E63 WeakPolarHBondContact O-CG 3.3Å; Q59-E63 PolarHBondContact O-N 2.87Å |
| 60 | E | 89 | Confident | 87.9 | Confident | 83 Ų | 83 | 104.8 Ų | 104.8 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -41.5 | 173.5 | -76.6 | 174.5 | -165.6 | 0 | 0 | 112.2 | R52 D56 K62 K64 | R52-E60 IonicContact CZ-OE1 2.71Å; R52-E60 IonicContact CZ-OE2 2.81Å; R52-E60 IonicContact NH1-OE1 2.92Å; R52-E60 PolarHBondContact NH1-OE1 3.31Å; R52-E60 IonicContact NH1-OE2 3.41Å; R52-E60 PolarHBondContact NH1-OE2 3.12Å; D56-E60 WeakPolarHBondContact O-CB 3.34Å; D56-E60 WeakPolarHBondContact O-CG 3.48Å; D56-E60 PolarHBondContact O-N 2.98Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 3.38Å; E60-K64 WeakPolarHBondContact O-CB 3.46Å; E60-K64 PolarHBondContact O-N 2.9Å |
| 61 | Q | 91.3 | Very high | 88.7 | Confident | 102 Ų | 102 | 106.7 Ų | 106.7 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 176.3 | -75.9 | -177.1 | -2.3 | 0 | 0 | 112.8 | R57 L58 Q59 K65 | R57-Q61 WeakPolarHBondContact O-CG 3.2Å; R57-Q61 PolarHBondContact O-N 2.94Å; R57-Q61 VanDerWaalsContact O-N 3.17Å; L58-Q61 PolarHBondContact O-N 3.3Å; Q59-Q61 VanDerWaalsContact C-N 3.3Å; Q59-Q61 PolarHBondContact O-N 3.13Å; Q61-K65 WeakPolarHBondContact O-CG 3.4Å; Q61-K65 PolarHBondContact O-N 2.87Å |
| 62 | K | 95 | Very high | 88.8 | Confident | 161 Ų | 161 | 107.6 Ų | 107.6 | 70% | 0.7 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.2 | -46.6 | 177.5 | -172.8 | -175.8 | 176.2 | -172.3 | 0 | 110.7 | L58 Q59 E60 K65 Q66 | L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 2.99Å; Q59-K62 WeakPolarHBondContact O-CB 3.49Å; Q59-K62 PolarHBondContact O-N 3.26Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 3.38Å; K62-K65 PolarHBondContact O-N 3.39Å; K62-Q66 WeakPolarHBondContact O-CB 3.41Å; K62-Q66 PolarHBondContact O-N 2.97Å |
| 63 | E | 94.8 | Very high | 88.9 | Confident | 83 Ų | 83 | 105.6 Ų | 105.6 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177 | -73.9 | 176.1 | -175.5 | 0 | 0 | 111.2 | Q59 K65 Q66 Q67 | Q59-E63 HydrophobicContact CG-CG 4.24Å; Q59-E63 VanDerWaalsContact CG-OE1 3.27Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.39Å; Q59-E63 PolarHBondContact NE2-OE1 3.01Å; Q59-E63 WeakPolarHBondContact O-CB 3.23Å; Q59-E63 WeakPolarHBondContact O-CG 3.3Å; Q59-E63 PolarHBondContact O-N 2.87Å; E63-K65 PolarHBondContact O-N 3.15Å; E63-Q66 CarbonylContact O-C 3.57Å; E63-Q66 WeakPolarHBondContact O-CB 3.35Å; E63-Q66 PolarHBondContact O-N 3.01Å; E63-Q66 VanDerWaalsContact O-N 3.16Å; E63-Q67 WeakPolarHBondContact O-CB 3.44Å; E63-Q67 VanDerWaalsContact O-CG 3.25Å; E63-Q67 WeakPolarHBondContact O-CG 3.47Å; E63-Q67 PolarHBondContact O-N 3.18Å |
| 64 | K | 93.7 | Very high | 88.8 | Confident | 130 Ų | 130 | 109.3 Ų | 109.3 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -46.9 | 175.3 | -177.8 | 173.5 | 179.8 | 176.1 | 0 | 112 | E60 Q66 Q67 E68 | E60-K64 WeakPolarHBondContact O-CB 3.46Å; E60-K64 PolarHBondContact O-N 2.9Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 3.19Å; K64-Q67 PolarHBondContact O-N 3.15Å; K64-E68 WeakPolarHBondContact CE-OE1 3.37Å; K64-E68 WeakPolarHBondContact CG-OE1 3.5Å; K64-E68 WeakPolarHBondContact O-CB 3.43Å; K64-E68 VanDerWaalsContact O-CG 3.25Å; K64-E68 WeakPolarHBondContact O-CG 3.31Å; K64-E68 PolarHBondContact O-N 3.49Å |
| 65 | K | 93.6 | Very high | 88 | Confident | 150 Ų | 150 | 109.3 Ų | 109.3 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | 175.1 | -76 | 179.2 | 179.6 | 178.3 | 0 | 112.4 | Q61 K62 E63 F69 | Q61-K65 WeakPolarHBondContact O-CG 3.4Å; Q61-K65 PolarHBondContact O-N 2.87Å; K62-K65 PolarHBondContact O-N 3.39Å; E63-K65 PolarHBondContact O-N 3.15Å; K65-F69 WeakPolarHBondContact O-CB 3.32Å; K65-F69 PolarHBondContact O-N 3.46Å |
| 66 | Q | 92.6 | Very high | 87.4 | Confident | 91 Ų | 91 | 109.7 Ų | 109.7 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 178 | -176 | 60.9 | 38.9 | 0 | 0 | 111.1 | K62 E63 K64 F69 E70 | K62-Q66 WeakPolarHBondContact O-CB 3.41Å; K62-Q66 PolarHBondContact O-N 2.97Å; E63-Q66 CarbonylContact O-C 3.57Å; E63-Q66 WeakPolarHBondContact O-CB 3.35Å; E63-Q66 PolarHBondContact O-N 3.01Å; E63-Q66 VanDerWaalsContact O-N 3.16Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 3.19Å; Q66-F69 WeakPolarHBondContact O-CB 3.33Å; Q66-F69 PolarHBondContact O-N 3.35Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.39Å; Q66-E70 PolarHBondContact NE2-OE1 3.48Å; Q66-E70 WeakPolarHBondContact O-CB 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.32Å; Q66-E70 PolarHBondContact O-N 2.84Å |
| 67 | Q | 88.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 111.9 Ų | 111.9 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.1 | -73.2 | 170.9 | 17.1 | 0 | 0 | 111.2 | E63 K64 F69 E70 E71 | E63-Q67 WeakPolarHBondContact O-CB 3.44Å; E63-Q67 VanDerWaalsContact O-CG 3.25Å; E63-Q67 WeakPolarHBondContact O-CG 3.47Å; E63-Q67 PolarHBondContact O-N 3.18Å; K64-Q67 PolarHBondContact O-N 3.15Å; Q67-F69 VanDerWaalsContact C-N 3.29Å; Q67-F69 PolarHBondContact O-N 2.86Å; Q67-E70 PolarHBondContact O-N 3.26Å; Q67-E71 WeakPolarHBondContact O-CB 3.11Å; Q67-E71 VanDerWaalsContact O-CG 3.26Å; Q67-E71 WeakPolarHBondContact O-CG 3.31Å; Q67-E71 PolarHBondContact O-N 3.47Å |
| 68 | E | 88.8 | Confident | 85.7 | Confident | 83 Ų | 83 | 111 Ų | 111 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 175.5 | -73.7 | 169.1 | -170.7 | 0 | 0 | 111.7 | K64 Q72 | K64-E68 WeakPolarHBondContact CE-OE1 3.37Å; K64-E68 WeakPolarHBondContact CG-OE1 3.5Å; K64-E68 WeakPolarHBondContact O-CB 3.43Å; K64-E68 VanDerWaalsContact O-CG 3.25Å; K64-E68 WeakPolarHBondContact O-CG 3.31Å; K64-E68 PolarHBondContact O-N 3.49Å; E68-Q72 VanDerWaalsContact O-CG 3.27Å; E68-Q72 WeakPolarHBondContact O-CG 3.3Å; E68-Q72 PolarHBondContact O-N 2.86Å |
| 69 | F | 88.6 | Confident | 84.5 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -49.7 | 174.2 | -177.6 | -91.3 | 0 | 0 | 0 | 111 | K65 Q66 Q67 E71 Q72 F73 | K65-F69 WeakPolarHBondContact O-CB 3.32Å; K65-F69 PolarHBondContact O-N 3.46Å; Q66-F69 WeakPolarHBondContact O-CB 3.33Å; Q66-F69 PolarHBondContact O-N 3.35Å; Q67-F69 VanDerWaalsContact C-N 3.29Å; Q67-F69 PolarHBondContact O-N 2.86Å; F69-E71 VanDerWaalsContact C-N 3.29Å; F69-E71 PolarHBondContact O-N 2.92Å; F69-Q72 PolarHBondContact O-N 2.88Å; F69-F73 HydrophobicContact CD1-CD2 4.03Å; F69-F73 HydrophobicContact CD1-CE2 4.32Å; F69-F73 AromaticContact CD2-CD2 3.9Å; F69-F73 HydrophobicContact CD2-CD2 3.9Å; F69-F73 AromaticContact CD2-CE2 3.48Å; F69-F73 HydrophobicContact CD2-CE2 3.48Å; F69-F73 VanDerWaalsContact CD2-CE2 3.48Å; F69-F73 HydrophobicContact CD2-CZ 4.36Å; F69-F73 AromaticContact CE1-CD2 3.85Å; F69-F73 HydrophobicContact CE1-CD2 3.85Å; F69-F73 AromaticContact CE1-CE2 3.95Å; F69-F73 HydrophobicContact CE1-CE2 3.95Å; F69-F73 HydrophobicContact CE1-CG 4.21Å; F69-F73 HydrophobicContact CE1-CZ 4.38Å; F69-F73 AromaticContact CE2-CD2 3.73Å; F69-F73 HydrophobicContact CE2-CD2 3.73Å; F69-F73 HydrophobicContact CE2-CE1 4.48Å; F69-F73 AromaticContact CE2-CE2 3.03Å; F69-F73 HydrophobicContact CE2-CE2 3.03Å; F69-F73 AromaticContact CE2-CZ 3.48Å; F69-F73 HydrophobicContact CE2-CZ 3.48Å; F69-F73 VanDerWaalsContact CE2-CZ 3.48Å; F69-F73 HydrophobicContact CG-CD2 4.05Å; F69-F73 HydrophobicContact CG-CE2 4.12Å; F69-F73 HydrophobicContact CZ-CD1 4.41Å; F69-F73 AromaticContact CZ-CD2 3.69Å; F69-F73 HydrophobicContact CZ-CD2 3.69Å; F69-F73 HydrophobicContact CZ-CE1 4.06Å; F69-F73 AromaticContact CZ-CE2 3.29Å; F69-F73 HydrophobicContact CZ-CE2 3.29Å; F69-F73 HydrophobicContact CZ-CG 4.23Å; F69-F73 AromaticContact CZ-CZ 3.48Å; F69-F73 HydrophobicContact CZ-CZ 3.48Å; F69-F73 VanDerWaalsContact CZ-CZ 3.48Å; F69-F73 WeakPolarHBondContact O-CD2 3.28Å; F69-F73 PolarHBondContact O-N 3Å |
| 70 | E | 88.2 | Confident | 84 | Confident | 104 Ų | 104 | 117.6 Ų | 117.6 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 177.9 | -76.2 | 173.2 | -161.8 | 0 | 0 | 111.8 | Q66 Q67 F73 K74 | Q66-E70 WeakPolarHBondContact CG-OE1 3.39Å; Q66-E70 PolarHBondContact NE2-OE1 3.48Å; Q66-E70 WeakPolarHBondContact O-CB 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.32Å; Q66-E70 PolarHBondContact O-N 2.84Å; Q67-E70 PolarHBondContact O-N 3.26Å; E70-F73 PolarHBondContact O-N 3.41Å; E70-K74 WeakPolarHBondContact O-CA 3.41Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 PolarHBondContact O-N 3.27Å |
| 71 | E | 85.2 | Confident | 83.8 | Confident | 106 Ų | 106 | 116 Ų | 116 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 175.1 | -75.2 | 175.5 | -176.9 | 0 | 0 | 111.5 | Q67 F69 F73 K74 F75 | Q67-E71 WeakPolarHBondContact O-CB 3.11Å; Q67-E71 VanDerWaalsContact O-CG 3.26Å; Q67-E71 WeakPolarHBondContact O-CG 3.31Å; Q67-E71 PolarHBondContact O-N 3.47Å; F69-E71 VanDerWaalsContact C-N 3.29Å; F69-E71 PolarHBondContact O-N 2.92Å; E71-F73 VanDerWaalsContact C-N 3.29Å; E71-F73 PolarHBondContact O-N 2.93Å; E71-K74 PolarHBondContact O-N 3.39Å; E71-F75 WeakPolarHBondContact O-CD2 3.44Å; E71-F75 PolarHBondContact O-N 3.4Å |
| 72 | Q | 81.6 | Confident | 83.7 | Confident | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.3 | -42.9 | 178.2 | -74.8 | 175.2 | 20.9 | 0 | 0 | 112.1 | E68 F69 R76 | E68-Q72 VanDerWaalsContact O-CG 3.27Å; E68-Q72 WeakPolarHBondContact O-CG 3.3Å; E68-Q72 PolarHBondContact O-N 2.86Å; F69-Q72 PolarHBondContact O-N 2.88Å; Q72-R76 PolarHBondContact O-N 3.3Å |
| 73 | F | 82 | Confident | 83.5 | Confident | 69 Ų | 69 | 113 Ų | 113 | 30% | 0.303 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -80.4 | -31.1 | -179.4 | -77.2 | -102.7 | 0 | 0 | 0 | 112.5 | F69 E70 E71 R76 N77 | F69-F73 HydrophobicContact CD1-CD2 4.03Å; F69-F73 HydrophobicContact CD1-CE2 4.32Å; F69-F73 AromaticContact CD2-CD2 3.9Å; F69-F73 HydrophobicContact CD2-CD2 3.9Å; F69-F73 AromaticContact CD2-CE2 3.48Å; F69-F73 HydrophobicContact CD2-CE2 3.48Å; F69-F73 VanDerWaalsContact CD2-CE2 3.48Å; F69-F73 HydrophobicContact CD2-CZ 4.36Å; F69-F73 AromaticContact CE1-CD2 3.85Å; F69-F73 HydrophobicContact CE1-CD2 3.85Å; F69-F73 AromaticContact CE1-CE2 3.95Å; F69-F73 HydrophobicContact CE1-CE2 3.95Å; F69-F73 HydrophobicContact CE1-CG 4.21Å; F69-F73 HydrophobicContact CE1-CZ 4.38Å; F69-F73 AromaticContact CE2-CD2 3.73Å; F69-F73 HydrophobicContact CE2-CD2 3.73Å; F69-F73 HydrophobicContact CE2-CE1 4.48Å; F69-F73 AromaticContact CE2-CE2 3.03Å; F69-F73 HydrophobicContact CE2-CE2 3.03Å; F69-F73 AromaticContact CE2-CZ 3.48Å; F69-F73 HydrophobicContact CE2-CZ 3.48Å; F69-F73 VanDerWaalsContact CE2-CZ 3.48Å; F69-F73 HydrophobicContact CG-CD2 4.05Å; F69-F73 HydrophobicContact CG-CE2 4.12Å; F69-F73 HydrophobicContact CZ-CD1 4.41Å; F69-F73 AromaticContact CZ-CD2 3.69Å; F69-F73 HydrophobicContact CZ-CD2 3.69Å; F69-F73 HydrophobicContact CZ-CE1 4.06Å; F69-F73 AromaticContact CZ-CE2 3.29Å; F69-F73 HydrophobicContact CZ-CE2 3.29Å; F69-F73 HydrophobicContact CZ-CG 4.23Å; F69-F73 AromaticContact CZ-CZ 3.48Å; F69-F73 HydrophobicContact CZ-CZ 3.48Å; F69-F73 VanDerWaalsContact CZ-CZ 3.48Å; F69-F73 WeakPolarHBondContact O-CD2 3.28Å; F69-F73 PolarHBondContact O-N 3Å; E70-F73 PolarHBondContact O-N 3.41Å; E71-F73 VanDerWaalsContact C-N 3.29Å; E71-F73 PolarHBondContact O-N 2.93Å; F73-R76 PolarHBondContact O-N 2.93Å; F73-N77 WeakPolarHBondContact O-CB 3.4Å; F73-N77 PolarHBondContact O-N 3.29Å; F73-N77 PolarHBondContact O-ND2 3.5Å; F73-N77 PolarHBondContact O-OD1 3.4Å |
| 74 | K | 83 | Confident | 83.3 | Confident | 140 Ų | 140 | 117.5 Ų | 117.5 | 61% | 0.609 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.8 | -45.7 | 176.3 | 179.4 | 179.4 | -178.8 | -179.1 | 0 | 111 | E70 E71 R76 N77 M78 | E70-K74 WeakPolarHBondContact O-CA 3.41Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 PolarHBondContact O-N 3.27Å; E71-K74 PolarHBondContact O-N 3.39Å; K74-R76 VanDerWaalsContact C-N 3.29Å; K74-R76 PolarHBondContact O-N 2.93Å; K74-N77 PolarHBondContact O-N 3.33Å; K74-M78 WeakPolarHBondContact O-CB 3.15Å; K74-M78 PolarHBondContact O-N 2.94Å |
| 75 | F | 67.6 | Low | 83.3 | Confident | 127 Ų | 127 | 117.9 Ų | 117.9 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.7 | -39.5 | 175.4 | -79.7 | -69.6 | 0 | 0 | 0 | 111.5 | E71 N77 M78 V79 | E71-F75 WeakPolarHBondContact O-CD2 3.44Å; E71-F75 PolarHBondContact O-N 3.4Å; F75-N77 PolarHBondContact O-N 3.43Å; F75-M78 HydrophobicContact CD1-CE 3.89Å; F75-M78 HydrophobicContact CE1-CE 3.99Å; F75-V79 PolarHBondContact O-N 3.37Å |
| 76 | R | 73.3 | Confident | 83.4 | Confident | 167 Ų | 167 | 114.1 Ų | 114.1 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 175.4 | -168.4 | 176.1 | 79 | 176.5 | 6.3 | 113.1 | Q72 F73 K74 | Q72-R76 PolarHBondContact O-N 3.3Å; F73-R76 PolarHBondContact O-N 2.93Å; K74-R76 VanDerWaalsContact C-N 3.29Å; K74-R76 PolarHBondContact O-N 2.93Å |
| 77 | N | 70.4 | Confident | 83.5 | Confident | 109 Ų | 109 | 112.7 Ų | 112.7 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -83.7 | -27.2 | -177.4 | -67.2 | -10.4 | 0 | 0 | 0 | 113.1 | F73 K74 F75 | F73-N77 WeakPolarHBondContact O-CB 3.4Å; F73-N77 PolarHBondContact O-N 3.29Å; F73-N77 PolarHBondContact O-ND2 3.5Å; F73-N77 PolarHBondContact O-OD1 3.4Å; K74-N77 PolarHBondContact O-N 3.33Å; F75-N77 PolarHBondContact O-N 3.43Å |
| 78 | M | 70.9 | Confident | 83.8 | Confident | 121 Ų | 121 | 111.2 Ų | 111.2 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -77.8 | -34.7 | -179.9 | -173.5 | 173.9 | 65.7 | 0 | 0 | 111.8 | K74 F75 R80 | K74-M78 WeakPolarHBondContact O-CB 3.15Å; K74-M78 PolarHBondContact O-N 2.94Å; F75-M78 HydrophobicContact CD1-CE 3.89Å; F75-M78 HydrophobicContact CE1-CE 3.99Å; M78-R80 VanDerWaalsContact C-N 3.26Å; M78-R80 PolarHBondContact O-N 2.92Å |
| 79 | V | 66.3 | Low | 84.2 | Confident | 113 Ų | 113 | 113.8 Ų | 113.8 | 69% | 0.685 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -93 | 63.7 | 172 | -170 | 0 | 0 | 0 | 0 | 108.5 | F75 G81 | F75-V79 PolarHBondContact O-N 3.37Å; V79-G81 PolarHBondContact O-N 3.45Å |
| 80 | R | 80.9 | Confident | 84.6 | Confident | 189 Ų | 189 | 113 Ų | 113 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | trans | -75.6 | 109.2 | 166.2 | -175.6 | 149.3 | 58.5 | 80.5 | 0.4 | 107.3 | M78 | M78-R80 VanDerWaalsContact C-N 3.26Å; M78-R80 PolarHBondContact O-N 2.92Å | ||
| 81 | G | 83.9 | Confident | 85 | Confident | 48 Ų | 48 | 113.4 Ų | 113.4 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 162.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V79 | V79-G81 PolarHBondContact O-N 3.45Š|
| 82 | L | 89.4 | Confident | 85.6 | Confident | 108 Ų | 108 | 111.4 Ų | 111.4 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.8 | 164.7 | -65.1 | 175.7 | 0 | 0 | 0 | 108.4 | E86 L90 | L82-E86 VanDerWaalsContact CA-OE2 3.28Å; L82-E86 WeakPolarHBondContact CA-OE2 2.91Å; L82-E86 HydrophobicContact CB-CB 4.25Å; L82-E86 HydrophobicContact CD2-CB 4.37Å; L82-L90 HydrophobicContact CD1-CD1 3.72Å |
| 83 | D | 89.9 | Confident | 86.4 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 162.9 | 174 | -66 | -24.9 | 0 | 0 | 0 | 110.3 | D85 E86 T87 | D83-D85 PolarHBondContact O-N 3.35Å; D83-E86 HydrophobicContact CB-CB 4.44Å; D83-E86 HydrophobicContact CB-CG 4.1Å; D83-E86 PolarHBondContact N-OE2 2.91Å; D83-E86 PolarHBondContact O-N 2.85Å; D83-E86 VanDerWaalsContact O-N 3.14Å; D83-T87 PolarHBondContact O-N 3.38Å; D83-T87 PolarHBondContact O-OG1 2.73Å |
| 84 | E | 91.6 | Very high | 87.2 | Confident | 178 Ų | 178 | 107 Ų | 107 | 83% | 0.832 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.6 | -39.2 | 178.4 | -68.4 | 179.2 | 178.5 | 0 | 0 | 111.5 | T87 S88 | E84-T87 PolarHBondContact O-N 2.85Å; E84-S88 WeakPolarHBondContact O-CB 3.26Å; E84-S88 PolarHBondContact O-N 3.03Å |
| 85 | D | 94.2 | Very high | 87.9 | Confident | 137 Ų | 137 | 107.2 Ų | 107.2 | 73% | 0.733 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -40.1 | 176.6 | -68.7 | -21.1 | 0 | 0 | 0 | 112.2 | D83 T87 S88 F89 | D83-D85 PolarHBondContact O-N 3.35Å; D85-T87 VanDerWaalsContact C-N 3.34Å; D85-S88 PolarHBondContact O-N 3.47Å; D85-F89 WeakPolarHBondContact O-CB 3.36Å; D85-F89 PolarHBondContact O-N 3.39Å |
| 86 | E | 94.2 | Very high | 89.3 | Confident | 72 Ų | 72 | 106.1 Ų | 106.1 | 34% | 0.336 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 177.7 | -67.2 | 178.3 | 156.9 | 0 | 0 | 111 | L82 D83 F89 L90 | L82-E86 VanDerWaalsContact CA-OE2 3.28Å; L82-E86 WeakPolarHBondContact CA-OE2 2.91Å; L82-E86 HydrophobicContact CB-CB 4.25Å; L82-E86 HydrophobicContact CD2-CB 4.37Å; D83-E86 HydrophobicContact CB-CB 4.44Å; D83-E86 HydrophobicContact CB-CG 4.1Å; D83-E86 PolarHBondContact N-OE2 2.91Å; D83-E86 PolarHBondContact O-N 2.85Å; D83-E86 VanDerWaalsContact O-N 3.14Å; E86-F89 PolarHBondContact O-N 3.18Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.36Å; E86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | T | 94.6 | Very high | 90.5 | Very high | 60 Ų | 60 | 103.8 Ų | 103.8 | 37% | 0.368 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -47.6 | 176.7 | -53.1 | 0 | 0 | 0 | 0 | 111 | D83 E84 D85 F89 L90 D91 | D83-T87 PolarHBondContact O-N 3.38Å; D83-T87 PolarHBondContact O-OG1 2.73Å; E84-T87 PolarHBondContact O-N 2.85Å; D85-T87 VanDerWaalsContact C-N 3.34Å; T87-F89 VanDerWaalsContact C-N 3.29Å; T87-F89 PolarHBondContact O-N 3.28Å; T87-L90 PolarHBondContact O-N 2.94Å; T87-D91 PolarHBondContact O-N 3.18Å |
| 88 | S | 95.8 | Very high | 91.8 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | E84 D85 D91 E92 | E84-S88 WeakPolarHBondContact O-CB 3.26Å; E84-S88 PolarHBondContact O-N 3.03Å; D85-S88 PolarHBondContact O-N 3.47Å; S88-D91 PolarHBondContact O-N 3.11Å; S88-E92 WeakPolarHBondContact O-CB 3.37Å; S88-E92 PolarHBondContact O-N 3.05Å |
| 89 | F | 97.6 | Very high | 93.1 | Very high | 136 Ų | 136 | 101.7 Ų | 101.7 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 175.7 | 175 | -98.2 | 0 | 0 | 0 | 112.4 | D85 E86 T87 D91 E92 V93 | D85-F89 WeakPolarHBondContact O-CB 3.36Å; D85-F89 PolarHBondContact O-N 3.39Å; E86-F89 PolarHBondContact O-N 3.18Å; T87-F89 VanDerWaalsContact C-N 3.29Å; T87-F89 PolarHBondContact O-N 3.28Å; F89-D91 VanDerWaalsContact C-N 3.32Å; F89-D91 PolarHBondContact O-N 2.87Å; F89-E92 PolarHBondContact O-N 3.45Å; F89-V93 HydrophobicContact CD1-CG2 4.22Å; F89-V93 HydrophobicContact CD2-CG2 4.35Å; F89-V93 HydrophobicContact CE1-CG2 3.75Å; F89-V93 HydrophobicContact CE2-CG2 3.9Å; F89-V93 HydrophobicContact CZ-CG2 3.58Å; F89-V93 VanDerWaalsContact O-CG2 3.31Å; F89-V93 WeakPolarHBondContact O-CG2 3.45Å; F89-V93 PolarHBondContact O-N 3.14Å |
| 90 | L | 96.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 177.4 | -68.8 | 178.7 | 0 | 0 | 0 | 112.1 | L82 E86 T87 V93 S94 | L82-L90 HydrophobicContact CD1-CD1 3.72Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.36Å; E86-L90 VanDerWaalsContact O-N 3.11Å; T87-L90 PolarHBondContact O-N 2.94Å; L90-V93 PolarHBondContact O-N 2.95Å; L90-S94 WeakPolarHBondContact O-CB 3.41Å; L90-S94 PolarHBondContact O-N 3.31Å |
| 91 | D | 97.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 96.3 Ų | 96.3 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 175.2 | -79.9 | -9.6 | 0 | 0 | 0 | 111.8 | T87 S88 F89 S94 R95 | T87-D91 PolarHBondContact O-N 3.18Å; S88-D91 PolarHBondContact O-N 3.11Å; F89-D91 VanDerWaalsContact C-N 3.32Å; F89-D91 PolarHBondContact O-N 2.87Å; D91-S94 PolarHBondContact O-N 2.94Å; D91-R95 WeakPolarHBondContact O-CB 3.31Å; D91-R95 PolarHBondContact O-N 3.5Å |
| 92 | E | 97.5 | Very high | 96 | Very high | 65 Ų | 65 | 99.8 Ų | 99.8 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.4 | -175.6 | 59.5 | -143.1 | 0 | 0 | 111.6 | S88 F89 R95 Q96 | S88-E92 WeakPolarHBondContact O-CB 3.37Å; S88-E92 PolarHBondContact O-N 3.05Å; F89-E92 PolarHBondContact O-N 3.45Å; E92-R95 PolarHBondContact O-N 3.43Å; E92-R95 IonicContact OE1-CZ 3.47Å; E92-R95 IonicContact OE1-NE 3.01Å; E92-R95 PolarHBondContact OE1-NE 2.94Å; E92-R95 IonicContact OE1-NH2 3.37Å; E92-R95 PolarHBondContact OE1-NH2 2.99Å; E92-R95 IonicContact OE2-CZ 2.84Å; E92-R95 IonicContact OE2-NE 3.08Å; E92-R95 PolarHBondContact OE2-NE 3.31Å; E92-R95 IonicContact OE2-NH1 3.06Å; E92-R95 IonicContact OE2-NH2 3.29Å; E92-R95 PolarHBondContact OE2-NH2 3.25Å; E92-Q96 WeakPolarHBondContact O-CB 3.26Å; E92-Q96 VanDerWaalsContact O-CG 3.32Å; E92-Q96 WeakPolarHBondContact O-CG 3.47Å; E92-Q96 PolarHBondContact O-N 2.98Å; E92-Q96 PolarHBondContact OE1-NE2 3.3Å |
| 93 | V | 98.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 100 Ų | 100 | 27% | 0.267 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 111 | F89 L90 Q96 Q97 | F89-V93 HydrophobicContact CD1-CG2 4.22Å; F89-V93 HydrophobicContact CD2-CG2 4.35Å; F89-V93 HydrophobicContact CE1-CG2 3.75Å; F89-V93 HydrophobicContact CE2-CG2 3.9Å; F89-V93 HydrophobicContact CZ-CG2 3.58Å; F89-V93 VanDerWaalsContact O-CG2 3.31Å; F89-V93 WeakPolarHBondContact O-CG2 3.45Å; F89-V93 PolarHBondContact O-N 3.14Å; L90-V93 PolarHBondContact O-N 2.95Å; V93-Q96 PolarHBondContact O-N 3.17Å; V93-Q97 WeakPolarHBondContact O-CG 3.41Å; V93-Q97 PolarHBondContact O-N 3.28Å |
| 94 | S | 97.8 | Very high | 96.8 | Very high | 65 Ų | 65 | 102.3 Ų | 102.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 111 | L90 D91 Q96 Q97 V98 | L90-S94 WeakPolarHBondContact O-CB 3.41Å; L90-S94 PolarHBondContact O-N 3.31Å; D91-S94 PolarHBondContact O-N 2.94Å; S94-Q96 VanDerWaalsContact C-N 3.34Å; S94-Q96 PolarHBondContact O-N 3Å; S94-Q97 PolarHBondContact O-N 3.47Å; S94-V98 WeakPolarHBondContact O-CG2 3.45Å; S94-V98 PolarHBondContact O-N 2.97Å |
| 95 | R | 97.8 | Very high | 97.1 | Very high | 144 Ų | 144 | 99.9 Ų | 99.9 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 175.9 | -169.5 | -175.6 | 79.5 | 167.7 | 3.1 | 111.7 | D91 E92 V98 L99 | D91-R95 WeakPolarHBondContact O-CB 3.31Å; D91-R95 PolarHBondContact O-N 3.5Å; E92-R95 PolarHBondContact O-N 3.43Å; E92-R95 IonicContact OE1-CZ 3.47Å; E92-R95 IonicContact OE1-NE 3.01Å; E92-R95 PolarHBondContact OE1-NE 2.94Å; E92-R95 IonicContact OE1-NH2 3.37Å; E92-R95 PolarHBondContact OE1-NH2 2.99Å; E92-R95 IonicContact OE2-CZ 2.84Å; E92-R95 IonicContact OE2-NE 3.08Å; E92-R95 PolarHBondContact OE2-NE 3.31Å; E92-R95 IonicContact OE2-NH1 3.06Å; E92-R95 IonicContact OE2-NH2 3.29Å; E92-R95 PolarHBondContact OE2-NH2 3.25Å; R95-V98 PolarHBondContact O-N 3.46Å; R95-L99 HydrophobicContact CG-CD1 4.22Å; R95-L99 WeakPolarHBondContact O-CB 3.08Å; R95-L99 VanDerWaalsContact O-CG 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.39Å; R95-L99 PolarHBondContact O-N 3.3Å |
| 96 | Q | 98 | Very high | 97.3 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.5 | -76.2 | -177.9 | 23.8 | 0 | 0 | 112.3 | E92 V93 S94 V98 L99 V100 | E92-Q96 WeakPolarHBondContact O-CB 3.26Å; E92-Q96 VanDerWaalsContact O-CG 3.32Å; E92-Q96 WeakPolarHBondContact O-CG 3.47Å; E92-Q96 PolarHBondContact O-N 2.98Å; E92-Q96 PolarHBondContact OE1-NE2 3.3Å; V93-Q96 PolarHBondContact O-N 3.17Å; S94-Q96 VanDerWaalsContact C-N 3.34Å; S94-Q96 PolarHBondContact O-N 3Å; Q96-V98 PolarHBondContact O-N 3.06Å; Q96-L99 PolarHBondContact O-N 2.81Å; Q96-V100 VanDerWaalsContact O-CG2 3.32Å; Q96-V100 WeakPolarHBondContact O-CG2 3.43Å; Q96-V100 PolarHBondContact O-N 2.95Å |
| 97 | Q | 97.9 | Very high | 97.4 | Very high | 119 Ų | 119 | 98.5 Ų | 98.5 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 175.4 | -73.3 | 177.5 | 24.4 | 0 | 0 | 111.4 | V93 S94 L99 V100 E101 | V93-Q97 WeakPolarHBondContact O-CG 3.41Å; V93-Q97 PolarHBondContact O-N 3.28Å; S94-Q97 PolarHBondContact O-N 3.47Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 3.19Å; Q97-V100 PolarHBondContact O-N 2.64Å; Q97-E101 WeakPolarHBondContact O-CG 3.43Å; Q97-E101 PolarHBondContact O-N 3.46Å |
| 98 | V | 97.8 | Very high | 97.5 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | S94 R95 Q96 K102 | S94-V98 WeakPolarHBondContact O-CG2 3.45Å; S94-V98 PolarHBondContact O-N 2.97Å; R95-V98 PolarHBondContact O-N 3.46Å; Q96-V98 PolarHBondContact O-N 3.06Å; V98-K102 WeakPolarHBondContact O-CB 3.27Å; V98-K102 PolarHBondContact O-N 3.26Å |
| 99 | L | 97.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 102.4 Ų | 102.4 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.9 | -76.8 | 172.1 | 0 | 0 | 0 | 112.1 | R95 Q96 Q97 K102 Q103 | R95-L99 HydrophobicContact CG-CD1 4.22Å; R95-L99 WeakPolarHBondContact O-CB 3.08Å; R95-L99 VanDerWaalsContact O-CG 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.39Å; R95-L99 PolarHBondContact O-N 3.3Å; Q96-L99 PolarHBondContact O-N 2.81Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 3.19Å; L99-K102 PolarHBondContact O-N 3.39Å; L99-Q103 WeakPolarHBondContact O-CB 3.13Å; L99-Q103 PolarHBondContact O-N 3.44Å |
| 100 | V | 97.8 | Very high | 97.6 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 178.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | Q96 Q97 K102 Q103 R104 | Q96-V100 VanDerWaalsContact O-CG2 3.32Å; Q96-V100 WeakPolarHBondContact O-CG2 3.43Å; Q96-V100 PolarHBondContact O-N 2.95Å; Q97-V100 PolarHBondContact O-N 2.64Å; V100-K102 VanDerWaalsContact C-N 3.33Å; V100-K102 PolarHBondContact O-N 3.44Å; V100-Q103 PolarHBondContact O-N 3.47Å; V100-R104 WeakPolarHBondContact O-CB 3.25Å; V100-R104 PolarHBondContact O-N 2.83Å |
| 101 | E | 97.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 176.7 | -74.6 | -166.7 | -178.7 | 0 | 0 | 112.6 | Q97 R104 R105 | Q97-E101 WeakPolarHBondContact O-CG 3.43Å; Q97-E101 PolarHBondContact O-N 3.46Å; E101-R104 PolarHBondContact O-N 3.32Å; E101-R105 WeakPolarHBondContact O-CG 3.48Å; E101-R105 PolarHBondContact O-N 2.71Å; E101-R105 PolarHBondContact O-NH1 3.46Å; E101-R105 IonicContact OE2-CZ 3.77Å; E101-R105 IonicContact OE2-NH1 3.68Å; E101-R105 PolarHBondContact OE2-NH1 2.91Å; E101-R105 IonicContact OE2-NH2 3.02Å; E101-R105 PolarHBondContact OE2-NH2 2.94Å |
| 102 | K | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 102.8 Ų | 102.8 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 176.2 | -177.8 | -175.5 | 174.5 | -172.1 | 0 | 110.5 | V98 L99 V100 R104 R105 D106 | V98-K102 WeakPolarHBondContact O-CB 3.27Å; V98-K102 PolarHBondContact O-N 3.26Å; L99-K102 PolarHBondContact O-N 3.39Å; V100-K102 VanDerWaalsContact C-N 3.33Å; V100-K102 PolarHBondContact O-N 3.44Å; K102-R104 VanDerWaalsContact C-N 3.31Å; K102-R104 PolarHBondContact O-N 3.49Å; K102-R105 PolarHBondContact O-N 2.95Å; K102-R105 VanDerWaalsContact O-N 3.15Å; K102-D106 WeakPolarHBondContact O-CB 3.36Å; K102-D106 VanDerWaalsContact O-CG 3.31Å; K102-D106 PolarHBondContact O-N 3.4Å |
| 103 | Q | 97.6 | Very high | 97.5 | Very high | 114 Ų | 114 | 103.7 Ų | 103.7 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 176.7 | -179 | 178.4 | 6.7 | 0 | 0 | 110.9 | L99 V100 R105 D106 E107 | L99-Q103 WeakPolarHBondContact O-CB 3.13Å; L99-Q103 PolarHBondContact O-N 3.44Å; V100-Q103 PolarHBondContact O-N 3.47Å; Q103-R105 VanDerWaalsContact C-N 3.34Å; Q103-R105 PolarHBondContact O-N 3.46Å; Q103-D106 PolarHBondContact O-N 3Å; Q103-E107 HydrophobicContact CG-CG 4.42Å; Q103-E107 VanDerWaalsContact CG-OE1 3.23Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.37Å; Q103-E107 PolarHBondContact NE2-OE1 3.18Å; Q103-E107 WeakPolarHBondContact O-CB 3.45Å; Q103-E107 WeakPolarHBondContact O-CG 3.19Å; Q103-E107 PolarHBondContact O-N 2.83Å |
| 104 | R | 98 | Very high | 97.5 | Very high | 140 Ų | 140 | 106.8 Ų | 106.8 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 176.9 | -161.7 | -151.9 | 79 | 165.6 | 13.2 | 112.2 | V100 E101 K102 E108 | V100-R104 WeakPolarHBondContact O-CB 3.25Å; V100-R104 PolarHBondContact O-N 2.83Å; E101-R104 PolarHBondContact O-N 3.32Å; K102-R104 VanDerWaalsContact C-N 3.31Å; K102-R104 PolarHBondContact O-N 3.49Å; R104-E108 IonicContact CZ-OE1 3.71Å; R104-E108 IonicContact CZ-OE2 3.76Å; R104-E108 IonicContact NE-OE1 2.87Å; R104-E108 PolarHBondContact NE-OE1 2.83Å; R104-E108 IonicContact NE-OE2 2.92Å; R104-E108 IonicContact NH2-OE1 3.61Å; R104-E108 PolarHBondContact NH2-OE1 3.28Å; R104-E108 IonicContact NH2-OE2 3.7Å; R104-E108 PolarHBondContact NH2-OE2 3.39Å; R104-E108 WeakPolarHBondContact O-CB 3.32Å; R104-E108 VanDerWaalsContact O-CG 3.26Å; R104-E108 WeakPolarHBondContact O-CG 3.43Å; R104-E108 PolarHBondContact O-N 2.91Å |
| 105 | R | 97.8 | Very high | 97.4 | Very high | 128 Ų | 128 | 110.9 Ų | 110.9 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.6 | -75.8 | -171.6 | -162.8 | 88 | 2.9 | 112.2 | E101 K102 Q103 K109 | E101-R105 WeakPolarHBondContact O-CG 3.48Å; E101-R105 PolarHBondContact O-N 2.71Å; E101-R105 PolarHBondContact O-NH1 3.46Å; E101-R105 IonicContact OE2-CZ 3.77Å; E101-R105 IonicContact OE2-NH1 3.68Å; E101-R105 PolarHBondContact OE2-NH1 2.91Å; E101-R105 IonicContact OE2-NH2 3.02Å; E101-R105 PolarHBondContact OE2-NH2 2.94Å; K102-R105 PolarHBondContact O-N 2.95Å; K102-R105 VanDerWaalsContact O-N 3.15Å; Q103-R105 VanDerWaalsContact C-N 3.34Å; Q103-R105 PolarHBondContact O-N 3.46Å; R105-K109 VanDerWaalsContact O-CB 3.28Å; R105-K109 WeakPolarHBondContact O-CB 3.35Å; R105-K109 PolarHBondContact O-N 3.34Å |
| 106 | D | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 111.6 Ų | 111.6 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | -179.6 | -71.3 | -21.8 | 0 | 0 | 0 | 110.7 | K102 Q103 K109 Q110 | K102-D106 WeakPolarHBondContact O-CB 3.36Å; K102-D106 VanDerWaalsContact O-CG 3.31Å; K102-D106 PolarHBondContact O-N 3.4Å; Q103-D106 PolarHBondContact O-N 3Å; D106-K109 PolarHBondContact O-N 2.81Å; D106-Q110 WeakPolarHBondContact O-CB 3.47Å; D106-Q110 PolarHBondContact O-N 3.06Å |
| 107 | E | 97.3 | Very high | 97.3 | Very high | 95 Ų | 95 | 112.1 Ų | 112.1 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 173.3 | -71.5 | 170.9 | -172.9 | 0 | 0 | 111.5 | Q103 K109 Q110 E111 | Q103-E107 HydrophobicContact CG-CG 4.42Å; Q103-E107 VanDerWaalsContact CG-OE1 3.23Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.37Å; Q103-E107 PolarHBondContact NE2-OE1 3.18Å; Q103-E107 WeakPolarHBondContact O-CB 3.45Å; Q103-E107 WeakPolarHBondContact O-CG 3.19Å; Q103-E107 PolarHBondContact O-N 2.83Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 2.8Å; E107-Q110 PolarHBondContact O-N 3.25Å; E107-Q110 VanDerWaalsContact O-N 3.11Å; E107-E111 WeakPolarHBondContact O-CG 3.39Å; E107-E111 PolarHBondContact O-N 3.02Å |
| 108 | E | 96.3 | Very high | 97.1 | Very high | 80 Ų | 80 | 109 Ų | 109 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 175.9 | -75.7 | 169.1 | -175.1 | 0 | 0 | 112 | R104 L112 | R104-E108 IonicContact CZ-OE1 3.71Å; R104-E108 IonicContact CZ-OE2 3.76Å; R104-E108 IonicContact NE-OE1 2.87Å; R104-E108 PolarHBondContact NE-OE1 2.83Å; R104-E108 IonicContact NE-OE2 2.92Å; R104-E108 IonicContact NH2-OE1 3.61Å; R104-E108 PolarHBondContact NH2-OE1 3.28Å; R104-E108 IonicContact NH2-OE2 3.7Å; R104-E108 PolarHBondContact NH2-OE2 3.39Å; R104-E108 WeakPolarHBondContact O-CB 3.32Å; R104-E108 VanDerWaalsContact O-CG 3.26Å; R104-E108 WeakPolarHBondContact O-CG 3.43Å; R104-E108 PolarHBondContact O-N 2.91Å; E108-L112 VanDerWaalsContact O-CG 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.25Å; E108-L112 PolarHBondContact O-N 3.19Å; E108-L112 VanDerWaalsContact O-N 3.12Å |
| 109 | K | 97.3 | Very high | 97 | Very high | 136 Ų | 136 | 109 Ų | 109 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -39.6 | 178.1 | -175.5 | 177.7 | -179.9 | 179.1 | 0 | 111.5 | R105 D106 E107 L113 | R105-K109 VanDerWaalsContact O-CB 3.28Å; R105-K109 WeakPolarHBondContact O-CB 3.35Å; R105-K109 PolarHBondContact O-N 3.34Å; D106-K109 PolarHBondContact O-N 2.81Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 2.8Å; K109-L113 WeakPolarHBondContact O-CG 3.39Å; K109-L113 PolarHBondContact O-N 3.08Å; K109-L113 VanDerWaalsContact O-N 3.14Å |
| 110 | Q | 97.8 | Very high | 96.8 | Very high | 112 Ų | 112 | 109.4 Ų | 109.4 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 178 | -174.1 | 174.2 | -19.4 | 0 | 0 | 111.3 | D106 E107 L112 L113 E114 | D106-Q110 WeakPolarHBondContact O-CB 3.47Å; D106-Q110 PolarHBondContact O-N 3.06Å; E107-Q110 PolarHBondContact O-N 3.25Å; E107-Q110 VanDerWaalsContact O-N 3.11Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 3.44Å; Q110-L113 WeakPolarHBondContact O-CB 3.47Å; Q110-L113 PolarHBondContact O-N 3.34Å; Q110-L113 VanDerWaalsContact O-N 3.08Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.2Å; Q110-E114 PolarHBondContact NE2-OE1 2.77Å; Q110-E114 WeakPolarHBondContact O-CG 3.35Å; Q110-E114 PolarHBondContact O-N 3.03Å |
| 111 | E | 96.9 | Very high | 96.6 | Very high | 133 Ų | 133 | 112.1 Ų | 112.1 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.5 | -40.8 | 176.2 | -70.7 | -179.5 | 179.1 | 0 | 0 | 112.1 | E107 L113 E114 Y115 | E107-E111 WeakPolarHBondContact O-CG 3.39Å; E107-E111 PolarHBondContact O-N 3.02Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.37Å; E111-E114 PolarHBondContact O-N 2.9Å; E111-Y115 WeakPolarHBondContact O-CB 3.46Å; E111-Y115 PolarHBondContact O-N 3.2Å |
| 112 | L | 96.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 113.7 Ų | 113.7 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 175.4 | -73.5 | 174.1 | 0 | 0 | 0 | 112.8 | E108 Q110 R116 | E108-L112 VanDerWaalsContact O-CG 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.25Å; E108-L112 PolarHBondContact O-N 3.19Å; E108-L112 VanDerWaalsContact O-N 3.12Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 3.44Å; L112-R116 VanDerWaalsContact O-CG 3.31Å; L112-R116 WeakPolarHBondContact O-CG 3.36Å; L112-R116 PolarHBondContact O-N 3.22Å; L112-R116 VanDerWaalsContact O-N 3.1Å |
| 113 | L | 97 | Very high | 95.9 | Very high | 84 Ų | 84 | 111 Ų | 111 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 175.7 | -71.5 | 171.8 | 0 | 0 | 0 | 110.9 | K109 Q110 E111 Y115 R116 I117 | K109-L113 WeakPolarHBondContact O-CG 3.39Å; K109-L113 PolarHBondContact O-N 3.08Å; K109-L113 VanDerWaalsContact O-N 3.14Å; Q110-L113 WeakPolarHBondContact O-CB 3.47Å; Q110-L113 PolarHBondContact O-N 3.34Å; Q110-L113 VanDerWaalsContact O-N 3.08Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.37Å; L113-Y115 VanDerWaalsContact C-N 3.33Å; L113-Y115 PolarHBondContact O-N 3.3Å; L113-R116 PolarHBondContact O-N 3.37Å; L113-I117 WeakPolarHBondContact O-CG1 3.3Å; L113-I117 PolarHBondContact O-N 3.44Å |
| 114 | E | 96.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 176.8 | -70.9 | 178.5 | -167.1 | 0 | 0 | 111.4 | Q110 E111 R116 I117 A118 | Q110-E114 WeakPolarHBondContact CG-OE1 3.2Å; Q110-E114 PolarHBondContact NE2-OE1 2.77Å; Q110-E114 WeakPolarHBondContact O-CG 3.35Å; Q110-E114 PolarHBondContact O-N 3.03Å; E111-E114 PolarHBondContact O-N 2.9Å; E114-R116 PolarHBondContact O-N 2.75Å; E114-I117 PolarHBondContact O-N 3.35Å; E114-A118 VanDerWaalsContact O-CB 3.3Å; E114-A118 WeakPolarHBondContact O-CB 3.27Å; E114-A118 PolarHBondContact O-N 3.12Å |
| 115 | Y | 96.6 | Very high | 94.8 | Very high | 152 Ų | 152 | 104.4 Ų | 104.4 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59 | -45.9 | 173.5 | 175.2 | -103 | 0 | 0 | 0 | 112.1 | E111 L113 I117 A118 L119 | E111-Y115 WeakPolarHBondContact O-CB 3.46Å; E111-Y115 PolarHBondContact O-N 3.2Å; L113-Y115 VanDerWaalsContact C-N 3.33Å; L113-Y115 PolarHBondContact O-N 3.3Å; Y115-I117 PolarHBondContact O-N 3.5Å; Y115-A118 PolarHBondContact O-N 3.24Å; Y115-L119 HydrophobicContact CE1-CD1 4.47Å; Y115-L119 HydrophobicContact CE2-CD1 4.3Å; Y115-L119 WeakPolarHBondContact O-CB 3.38Å; Y115-L119 PolarHBondContact O-N 2.92Å |
| 116 | R | 96.1 | Very high | 93.8 | Very high | 159 Ų | 159 | 101.2 Ų | 101.2 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 177 | -73.7 | 172 | -174.7 | 167.7 | 3.4 | 111.6 | L112 L113 E114 L119 V120 | L112-R116 VanDerWaalsContact O-CG 3.31Å; L112-R116 WeakPolarHBondContact O-CG 3.36Å; L112-R116 PolarHBondContact O-N 3.22Å; L112-R116 VanDerWaalsContact O-N 3.1Å; L113-R116 PolarHBondContact O-N 3.37Å; E114-R116 PolarHBondContact O-N 2.75Å; R116-L119 PolarHBondContact O-N 2.82Å; R116-V120 WeakPolarHBondContact O-CG2 3.4Å; R116-V120 PolarHBondContact O-N 2.81Å; R116-V120 VanDerWaalsContact O-N 3.12Å |
| 117 | I | 96.4 | Very high | 92.6 | Very high | 114 Ų | 114 | 99.6 Ų | 99.6 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 177.8 | -67.1 | 166.5 | 0 | 0 | 0 | 110.5 | L113 E114 Y115 L119 V120 K121 | L113-I117 WeakPolarHBondContact O-CG1 3.3Å; L113-I117 PolarHBondContact O-N 3.44Å; E114-I117 PolarHBondContact O-N 3.35Å; Y115-I117 PolarHBondContact O-N 3.5Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 3.4Å; I117-V120 PolarHBondContact O-N 3.41Å; I117-K121 WeakPolarHBondContact O-CB 3.26Å; I117-K121 PolarHBondContact O-N 2.85Å |
| 118 | A | 95.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E114 Y115 K121 Q122 | E114-A118 VanDerWaalsContact O-CB 3.3Å; E114-A118 WeakPolarHBondContact O-CB 3.27Å; E114-A118 PolarHBondContact O-N 3.12Å; Y115-A118 PolarHBondContact O-N 3.24Å; A118-K121 PolarHBondContact O-N 2.81Å; A118-Q122 VanDerWaalsContact O-CB 3.31Å; A118-Q122 WeakPolarHBondContact O-CB 3.33Å; A118-Q122 PolarHBondContact O-N 2.9Å |
| 119 | L | 94.1 | Very high | 89.5 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.6 | -155 | 89.8 | 0 | 0 | 0 | 111.4 | Y115 R116 I117 Q122 A123 | Y115-L119 HydrophobicContact CE1-CD1 4.47Å; Y115-L119 HydrophobicContact CE2-CD1 4.3Å; Y115-L119 WeakPolarHBondContact O-CB 3.38Å; Y115-L119 PolarHBondContact O-N 2.92Å; R116-L119 PolarHBondContact O-N 2.82Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 3.4Å; L119-Q122 PolarHBondContact O-N 2.72Å; L119-A123 WeakPolarHBondContact O-CB 3.39Å; L119-A123 PolarHBondContact O-N 2.67Å |
| 120 | V | 94.4 | Very high | 87.6 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | R116 I117 Q122 A123 S124 | R116-V120 WeakPolarHBondContact O-CG2 3.4Å; R116-V120 PolarHBondContact O-N 2.81Å; R116-V120 VanDerWaalsContact O-N 3.12Å; I117-V120 PolarHBondContact O-N 3.41Å; V120-Q122 PolarHBondContact O-N 2.81Å; V120-A123 PolarHBondContact O-N 2.82Å; V120-S124 PolarHBondContact O-N 2.9Å; V120-S124 PolarHBondContact O-OG 3.33Å |
| 121 | K | 94.1 | Very high | 85.7 | Confident | 151 Ų | 151 | 105.3 Ų | 105.3 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 178.5 | -172.8 | 177.2 | -179.4 | 177.7 | 0 | 112.3 | I117 A118 S124 A125 | I117-K121 WeakPolarHBondContact O-CB 3.26Å; I117-K121 PolarHBondContact O-N 2.85Å; A118-K121 PolarHBondContact O-N 2.81Å; K121-S124 PolarHBondContact O-OG 3.31Å; K121-A125 VanDerWaalsContact O-CB 3.26Å; K121-A125 WeakPolarHBondContact O-CB 3.49Å; K121-A125 PolarHBondContact O-N 2.76Å |
| 122 | Q | 90.8 | Very high | 83.6 | Confident | 130 Ų | 130 | 106.7 Ų | 106.7 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | 175.1 | -171.7 | 178.8 | 12.6 | 0 | 0 | 110.8 | A118 L119 V120 A125 S126 | A118-Q122 VanDerWaalsContact O-CB 3.31Å; A118-Q122 WeakPolarHBondContact O-CB 3.33Å; A118-Q122 PolarHBondContact O-N 2.9Å; L119-Q122 PolarHBondContact O-N 2.72Å; V120-Q122 PolarHBondContact O-N 2.81Å; Q122-A125 PolarHBondContact O-N 3.06Å; Q122-S126 VanDerWaalsContact O-CB 3.31Å; Q122-S126 WeakPolarHBondContact O-CB 3.27Å; Q122-S126 PolarHBondContact O-N 2.71Å; Q122-S126 PolarHBondContact O-OG 3.34Å |
| 123 | A | 89.5 | Confident | 81.4 | Confident | 64 Ų | 64 | 106 Ų | 106 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L119 V120 A127 | L119-A123 WeakPolarHBondContact O-CB 3.39Å; L119-A123 PolarHBondContact O-N 2.67Å; V120-A123 PolarHBondContact O-N 2.82Å; A123-A127 PolarHBondContact O-N 3.41Å; A123-A127 VanDerWaalsContact O-N 3.08Å |
| 124 | S | 87.4 | Confident | 79.2 | Confident | 59 Ų | 59 | 109.6 Ų | 109.6 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.2 | -43.6 | 176.3 | 66 | 0 | 0 | 0 | 0 | 112.4 | V120 K121 S126 A127 D128 | V120-S124 PolarHBondContact O-N 2.9Å; V120-S124 PolarHBondContact O-OG 3.33Å; K121-S124 PolarHBondContact O-OG 3.31Å; S124-S126 VanDerWaalsContact C-N 3.31Å; S124-S126 PolarHBondContact O-N 2.97Å; S124-A127 WeakPolarHBondContact O-CB 3.29Å; S124-A127 PolarHBondContact O-N 3.45Å; S124-A127 VanDerWaalsContact O-N 3.14Å; S124-D128 PolarHBondContact O-N 3.16Å |
| 125 | A | 84.9 | Confident | 77.2 | Confident | 55 Ų | 55 | 113.5 Ų | 113.5 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.5 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K121 Q122 S129 | K121-A125 VanDerWaalsContact O-CB 3.26Å; K121-A125 WeakPolarHBondContact O-CB 3.49Å; K121-A125 PolarHBondContact O-N 2.76Å; Q122-A125 PolarHBondContact O-N 3.06Å; A125-S129 WeakPolarHBondContact O-CB 3.49Å; A125-S129 PolarHBondContact O-N 3.24Å; A125-S129 PolarHBondContact O-OG 3.44Å |
| 126 | S | 75.9 | Confident | 75.1 | Confident | 62 Ų | 62 | 115.7 Ų | 115.7 | 43% | 0.434 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68 | -36.2 | 173.5 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | Q122 S124 S129 R130 | Q122-S126 VanDerWaalsContact O-CB 3.31Å; Q122-S126 WeakPolarHBondContact O-CB 3.27Å; Q122-S126 PolarHBondContact O-N 2.71Å; Q122-S126 PolarHBondContact O-OG 3.34Å; S124-S126 VanDerWaalsContact C-N 3.31Å; S124-S126 PolarHBondContact O-N 2.97Å; S126-S129 WeakPolarHBondContact CA-OG 3.44Å; S126-S129 PolarHBondContact O-OG 3.46Å; S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 PolarHBondContact O-N 3.18Å |
| 127 | A | 72.9 | Confident | 72.6 | Confident | 50 Ų | 50 | 113.7 Ų | 113.7 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.6 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A123 S124 R131 | A123-A127 PolarHBondContact O-N 3.41Å; A123-A127 VanDerWaalsContact O-N 3.08Å; S124-A127 WeakPolarHBondContact O-CB 3.29Å; S124-A127 PolarHBondContact O-N 3.45Å; S124-A127 VanDerWaalsContact O-N 3.14Å; A127-R131 WeakPolarHBondContact O-CG 3.4Å; A127-R131 PolarHBondContact O-N 3.38Å |
| 128 | D | 65.9 | Low | 70 | Confident | 102 Ų | 102 | 111.3 Ų | 111.3 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.6 | -42.7 | 177.1 | -76.8 | -33.1 | 0 | 0 | 0 | 112.6 | S124 R130 R131 E132 | S124-D128 PolarHBondContact O-N 3.16Å; D128-R130 VanDerWaalsContact C-N 3.31Å; D128-R130 PolarHBondContact O-N 2.88Å; D128-R131 PolarHBondContact O-N 3.37Å; D128-R131 VanDerWaalsContact O-N 3.07Å; D128-E132 PolarHBondContact O-N 3.17Å |
| 129 | S | 62.5 | Low | 68 | Low | 67 Ų | 67 | 114.5 Ų | 114.5 | 47% | 0.469 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.7 | -30.3 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | A125 S126 R131 S133 | A125-S129 WeakPolarHBondContact O-CB 3.49Å; A125-S129 PolarHBondContact O-N 3.24Å; A125-S129 PolarHBondContact O-OG 3.44Å; S126-S129 WeakPolarHBondContact CA-OG 3.44Å; S126-S129 PolarHBondContact O-OG 3.46Å; S129-R131 VanDerWaalsContact C-N 3.34Å; S129-S133 WeakPolarHBondContact O-CB 3.49Å; S129-S133 PolarHBondContact O-N 2.84Å; S129-S133 PolarHBondContact O-OG 3.27Å |
| 130 | R | 59 | Low | 65.7 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.8 | -28.2 | 172.1 | -163.9 | 174.7 | -172.4 | -99.3 | 1 | 112.7 | S126 D128 S133 | S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 PolarHBondContact O-N 3.18Å; D128-R130 VanDerWaalsContact C-N 3.31Å; D128-R130 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 3.29Å |
| 131 | R | 56.6 | Low | 63.3 | Low | 190 Ų | 190 | 123.8 Ų | 123.8 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.8 | -28.6 | 174.8 | -71.9 | 177.8 | 177.3 | -170.3 | 0.5 | 112.8 | A127 D128 S129 | A127-R131 WeakPolarHBondContact O-CG 3.4Å; A127-R131 PolarHBondContact O-N 3.38Å; D128-R131 PolarHBondContact O-N 3.37Å; D128-R131 VanDerWaalsContact O-N 3.07Å; S129-R131 VanDerWaalsContact C-N 3.34Å |
| 132 | E | 52.8 | Low | 61 | Low | 162 Ų | 162 | 123.2 Ų | 123.2 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.9 | -31.2 | 180 | -157 | 177.2 | -172.6 | 0 | 0 | 112.9 | D128 E134 | D128-E132 PolarHBondContact O-N 3.17Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.32Å |
| 133 | S | 50.8 | Low | 58.7 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -75.1 | -11.9 | -179.7 | 47.5 | 0 | 0 | 0 | 0 | 115.4 | S129 R130 K135 | S129-S133 WeakPolarHBondContact O-CB 3.49Å; S129-S133 PolarHBondContact O-N 2.84Å; S129-S133 PolarHBondContact O-OG 3.27Å; R130-S133 PolarHBondContact O-OG 3.29Å; S133-K135 VanDerWaalsContact C-N 3.29Å; S133-K135 PolarHBondContact O-N 2.81Å |
| 134 | E | 50.4 | Low | 56.5 | Low | 158 Ų | 158 | 122.3 Ų | 122.3 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -80 | -2.2 | 176.7 | -72.7 | -174.1 | 151.1 | 0 | 0 | 114.2 | E132 | E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.32Å |
| 135 | K | 55.7 | Low | 54.8 | Low | 191 Ų | 191 | 127.4 Ų | 127.4 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -110.4 | 6.9 | -177.1 | -73.3 | -173.5 | 179.6 | 178.3 | 0 | 116.9 | S133 | S133-K135 VanDerWaalsContact C-N 3.29Å; S133-K135 PolarHBondContact O-N 2.81Å |
| 136 | K | 52.5 | Low | 53 | Low | 198 Ų | 198 | 129.9 Ų | 129.9 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -152.7 | 80.1 | 173.8 | -113.5 | 172.3 | -177.3 | 179 | 0 | 112.9 | ||||
| 137 | A | 42.5 | Very low | 51.9 | Low | 116 Ų | 116 | 136 Ų | 136 | 96% | 0.959 | 74% | 0.741 | S | S | * | * | trans | -88.9 | 106.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 138 | G | 41.5 | Very low | 51.1 | Low | 65 Ų | 65 | 138.4 Ų | 138.4 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | -138.2 | 141.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | P | 53.1 | Low | 50.8 | Low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -93.6 | 146.2 | -158.8 | 35.4 | -33.8 | 0 | 0 | 0 | 115.2 | ||||
| 140 | K | 46.8 | Very low | 50.8 | Low | 194 Ų | 194 | 143.7 Ų | 143.7 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 67.1 | 128.4 | 156.6 | -61.2 | -179.6 | -176.2 | -173.5 | 0 | 118.3 | ||||
| 141 | Q | 44 | Very low | 51.5 | Low | 193 Ų | 193 | 139.9 Ų | 139.9 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | -172.8 | 158.9 | 112.6 | -96.9 | 171.4 | 29.7 | 0 | 0 | 112.8 | |||||
| 142 | T | 44.5 | Very low | 52.4 | Low | 139 Ų | 139 | 134 Ų | 134 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -75.3 | 151.6 | -166.6 | 47.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 143 | G | 44 | Very low | 53.5 | Low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | 123.4 | 140.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 144 | A | 41.8 | Very low | 54.6 | Low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 87.2 | 98 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 145 | E | 52.2 | Low | 55.9 | Low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -52.6 | 138.8 | 154.5 | -65.8 | -91.3 | 129.6 | 0 | 0 | 112.3 | ||||
| 146 | P | 48 | Very low | 56.9 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -112.7 | 112.5 | 143.3 | 31.9 | -22.4 | 0 | 0 | 0 | 108.9 | T148 | P146-T148 VanDerWaalsContact C-N 3.28Å; P146-T148 PolarHBondContact O-N 3Å | ||
| 147 | K | 52.7 | Low | 58.1 | Low | 191 Ų | 191 | 123.1 Ų | 123.1 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -64.2 | 88.1 | 169.8 | -62 | 172.5 | -177.7 | 175.2 | 0 | 108.6 | S149 | K147-S149 PolarHBondContact O-N 3.45Å; K147-S149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | T | 56.3 | Low | 59.6 | Low | 100 Ų | 100 | 123.4 Ų | 123.4 | 61% | 0.613 | 71% | 0.708 | S | S | * | * | trans | -73.2 | 102.9 | 164.4 | 57.7 | 0 | 0 | 0 | 0 | 106.4 | P146 H150 | P146-T148 VanDerWaalsContact C-N 3.28Å; P146-T148 PolarHBondContact O-N 3Å; T148-H150 PolarHBondContact O-N 3.03Å | ||
| 149 | S | 58.5 | Low | 60.8 | Low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | -58.2 | 85.3 | 170.3 | 162.9 | 0 | 0 | 0 | 0 | 109 | K147 L151 | K147-S149 PolarHBondContact O-N 3.45Å; K147-S149 VanDerWaalsContact O-N 3.14Å; S149-L151 VanDerWaalsContact C-N 3.32Å; S149-L151 PolarHBondContact O-N 3.22Å | ||
| 150 | H | 62.3 | Low | 61.7 | Low | 166 Ų | 166 | 121.7 Ų | 121.7 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -66.9 | 95.7 | 170 | -93.9 | -82.8 | 0 | 0 | 0 | 107.7 | T148 S152 | T148-H150 PolarHBondContact O-N 3.03Å; H150-S152 VanDerWaalsContact C-N 3.27Å; H150-S152 PolarHBondContact O-N 2.78Å | ||
| 151 | L | 74.1 | Confident | 62.4 | Low | 104 Ų | 104 | 118 Ų | 118 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | trans | -60.7 | 97.3 | 161 | -174.1 | 68.4 | 0 | 0 | 0 | 106.5 | S149 H155 L156 | S149-L151 VanDerWaalsContact C-N 3.32Å; S149-L151 PolarHBondContact O-N 3.22Å; L151-H155 HydrophobicContact CD1-CB 3.43Å; L151-H155 VanDerWaalsContact CD1-CB 3.43Å; L151-H155 HydrophobicContact CG-CB 3.93Å; L151-L156 HydrophobicContact CD2-CD2 3.87Å | ||
| 152 | S | 75.3 | Confident | 63.7 | Low | 65 Ų | 65 | 118 Ų | 118 | 46% | 0.455 | 70% | 0.695 | S | S | . | * | trans | -53.5 | 144 | -178.8 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | H150 A154 H155 | H150-S152 VanDerWaalsContact C-N 3.27Å; H150-S152 PolarHBondContact O-N 2.78Å; S152-A154 PolarHBondContact O-N 3.07Å; S152-A154 PolarHBondContact OG-N 3.15Å; S152-H155 WeakPolarHBondContact O-CA 3.35Å; S152-H155 WeakPolarHBondContact O-CB 3.49Å; S152-H155 PolarHBondContact O-N 3.49Å | ||
| 153 | Q | 77.2 | Confident | 64.7 | Low | 158 Ų | 158 | 121.9 Ų | 121.9 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -50.8 | -28.9 | 176.8 | -167.8 | 175 | 65.2 | 0 | 0 | 112.4 | H155 L156 | Q153-H155 PolarHBondContact O-N 3.08Å; Q153-L156 PolarHBondContact O-N 3.5Å |
| 154 | A | 73.6 | Confident | 65.3 | Low | 57 Ų | 57 | 129.4 Ų | 129.4 | 47% | 0.471 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -61.9 | -37.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S152 L156 L157 V158 | S152-A154 PolarHBondContact O-N 3.07Å; S152-A154 PolarHBondContact OG-N 3.15Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 3.45Å; A154-L157 PolarHBondContact O-N 3Å; A154-V158 WeakPolarHBondContact O-CG2 3.24Å |
| 155 | H | 77.4 | Confident | 65.7 | Low | 127 Ų | 127 | 130.5 Ų | 130.5 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67.5 | -28.8 | 176.9 | -87.1 | 61.9 | 0 | 0 | 0 | 112.9 | L151 S152 Q153 L157 | L151-H155 HydrophobicContact CD1-CB 3.43Å; L151-H155 VanDerWaalsContact CD1-CB 3.43Å; L151-H155 HydrophobicContact CG-CB 3.93Å; S152-H155 WeakPolarHBondContact O-CA 3.35Å; S152-H155 WeakPolarHBondContact O-CB 3.49Å; S152-H155 PolarHBondContact O-N 3.49Å; Q153-H155 PolarHBondContact O-N 3.08Å; H155-L157 PolarHBondContact O-N 3.06Å |
| 156 | L | 76.5 | Confident | 65.6 | Low | 117 Ų | 117 | 127.7 Ų | 127.7 | 61% | 0.613 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.7 | -24.2 | 175.6 | -64.2 | 171.4 | 0 | 0 | 0 | 112.2 | L151 Q153 A154 | L151-L156 HydrophobicContact CD2-CD2 3.87Å; Q153-L156 PolarHBondContact O-N 3.5Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 3.45Å |
| 157 | L | 77.4 | Confident | 65.3 | Low | 110 Ų | 110 | 127.7 Ų | 127.7 | 58% | 0.576 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -89.3 | -14.3 | -175.8 | -64.2 | 164.7 | 0 | 0 | 0 | 113.4 | A154 H155 G159 A160 | A154-L157 PolarHBondContact O-N 3Å; H155-L157 PolarHBondContact O-N 3.06Å; L157-G159 PolarHBondContact O-N 2.74Å; L157-A160 PolarHBondContact O-N 2.93Å |
| 158 | V | 74.5 | Confident | 64.8 | Low | 122 Ų | 122 | 127.8 Ų | 127.8 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -27.2 | -175.5 | 176.6 | 0 | 0 | 0 | 0 | 112.8 | A154 | A154-V158 WeakPolarHBondContact O-CG2 3.24Š|
| 159 | G | 66.1 | Low | 63.7 | Low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -12.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L157 | L157-G159 PolarHBondContact O-N 2.74Š|
| 160 | A | 71.5 | Confident | 62.9 | Low | 76 Ų | 76 | 127.8 Ų | 127.8 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -22.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L157 | L157-A160 PolarHBondContact O-N 2.93Š|
| 161 | V | 63.4 | Low | 61.7 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | trans | -104.1 | 86.7 | -176.6 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | R163 | V161-R163 HydrophobicContact CG1-CG 4.03Å; V161-R163 PolarHBondContact O-N 3.05Å | ||
| 162 | K | 69.8 | Low | 59.8 | Low | 194 Ų | 194 | 126.3 Ų | 126.3 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -81.9 | 97.5 | 166.2 | -174 | 151.5 | -179.2 | 159.8 | 0 | 109.8 | R164 | K162-R164 PolarHBondContact O-N 3.43Š| ||
| 163 | R | 67 | Low | 58 | Low | 221 Ų | 221 | 126.5 Ų | 126.5 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -71.8 | 107 | 168.5 | -61.4 | -175.2 | 73.9 | -164 | 2.2 | 108.4 | V161 S165 | V161-R163 HydrophobicContact CG1-CG 4.03Å; V161-R163 PolarHBondContact O-N 3.05Å; R163-S165 PolarHBondContact O-N 3.24Å | ||
| 164 | R | 56.8 | Low | 56.2 | Low | 234 Ų | 234 | 128.9 Ų | 128.9 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | -71.9 | 105.1 | 165.8 | 40.2 | 169.1 | 64.9 | -140.5 | 2.2 | 108 | K162 S166 | K162-R164 PolarHBondContact O-N 3.43Å; R164-S166 PolarHBondContact O-N 3.13Å; R164-S166 VanDerWaalsContact O-N 3.15Å | ||
| 165 | S | 48.8 | Very low | 55 | Low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -66.3 | 110.1 | 169.3 | -56 | 0 | 0 | 0 | 0 | 108.6 | R163 | R163-S165 PolarHBondContact O-N 3.24Š| ||
| 166 | S | 49.6 | Very low | 53.3 | Low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 125.5 | 164.5 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | R164 | R164-S166 PolarHBondContact O-N 3.13Å; R164-S166 VanDerWaalsContact O-N 3.15Å | ||
| 167 | S | 42.1 | Very low | 51.2 | Low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 124.3 | 96.9 | 154.5 | 76.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 168 | Q | 42.2 | Very low | 49.2 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | 57.3 | 101.7 | 117 | -163.1 | 166.6 | 3.8 | 0 | 0 | 119 | |||||
| 169 | S | 34.4 | Very low | 47.2 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | -175.8 | 128.2 | 124.7 | 75 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 170 | S | 41.5 | Very low | 45.6 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 45.1 | 125 | 138.8 | 63.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 171 | D | 36 | Very low | 43.9 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | 78.9 | 142.1 | 129 | -157.8 | 31.2 | 0 | 0 | 0 | 121.5 | |||||
| 172 | G | 35 | Very low | 42.4 | Very low | 66 Ų | 66 | 154.3 Ų | 154.3 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | trans | 128.3 | 87.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 173 | G | 36.4 | Very low | 40.6 | Very low | 69 Ų | 69 | 148.8 Ų | 148.8 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -75.5 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 174 | K | 41.2 | Very low | 39.1 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -176.7 | 115.7 | 146.9 | -98.8 | 157.8 | -168.9 | -174.6 | 0 | 109.8 | ||||
| 175 | K | 47.2 | Very low | 37.9 | Very low | 201 Ų | 201 | 139 Ų | 139 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -68.4 | 157.3 | 161.7 | -63.6 | -172.1 | 177.4 | -176 | 0 | 109.2 | ||||
| 176 | P | 41.5 | Very low | 37.1 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | -130.4 | 149.7 | 115.5 | 34.1 | -24.5 | 0 | 0 | 0 | 114.2 | |||||
| 177 | R | 33.2 | Very low | 36.5 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | -83.4 | 134.7 | 177 | 153.9 | -171.5 | 176.6 | 173.1 | 0.5 | 109.8 | ||||
| 178 | V | 35.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -154.8 | 141 | 142.4 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 179 | E | 33.2 | Very low | 35.7 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | -56 | 165.1 | 175.8 | -63 | 148.7 | 176 | 0 | 0 | 112.7 | ||||
| 180 | N | 32.3 | Very low | 35.6 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | cis | -174.7 | 171.5 | 36.6 | -148.3 | 5.3 | 0 | 0 | 0 | 109.4 | ||||
| 181 | A | 34.7 | Very low | 35.1 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | 108 | 123.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 182 | R | 32.9 | Very low | 34.7 | Very low | 254 Ų | 254 | 149.2 Ų | 149.2 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -77.7 | 148 | -170.7 | -64.5 | 160.6 | 164.4 | 176.9 | -6.7 | 112.1 | ||||
| 183 | G | 31.3 | Very low | 34.4 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -167 | 124 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 184 | I | 35.8 | Very low | 34 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | trans | -91.6 | 147 | -165.5 | -70.1 | -179.4 | 0 | 0 | 0 | 111.5 | ||||
| 185 | G | 31.4 | Very low | 33.6 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 150.4 | 86.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 186 | D | 31.9 | Very low | 33 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 65% | 0.647 | 82% | 0.816 | S | S | * | * | 85.7 | 117.8 | 78.7 | -160.1 | 26.4 | 0 | 0 | 0 | 113.4 | |||||
| 187 | R | 37.3 | Very low | 32.5 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | trans | 73.5 | 105.2 | 164 | -39.4 | -169.5 | -165.3 | -170.7 | 6.1 | 118.2 | ||||
| 188 | L | 33.7 | Very low | 32.5 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | 56.1 | 98 | 78 | -69.1 | 172 | 0 | 0 | 0 | 112.8 | |||||
| 189 | A | 33.2 | Very low | 32.4 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -135.2 | 118.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 190 | E | 32.1 | Very low | 32.3 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | 61.2 | 106.7 | 145.8 | -50.2 | -55.8 | 104.1 | 0 | 0 | 120.1 | ||||
| 191 | E | 31.7 | Very low | 32.5 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -101 | 151.8 | 146.1 | -91.4 | -154.4 | 142 | 0 | 0 | 110.3 | ||||
| 192 | D | 27.7 | Very low | 32.4 | Very low | 166 Ų | 166 | 157.5 Ų | 157.5 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | 83 | 126.6 | 157.3 | -136.1 | 35 | 0 | 0 | 0 | 116.9 | ||||
| 193 | G | 29.1 | Very low | 32.1 | Very low | 59 Ų | 59 | 149.4 Ų | 149.4 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | cis | 133.4 | 122.9 | 11.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | G | 28.5 | Very low | 32.2 | Very low | 77 Ų | 77 | 152.3 Ų | 152.3 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 75.3 | 126.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 195 | S | 31.5 | Very low | 32.7 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | -169.3 | 140.6 | 57.4 | 25.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 196 | R | 35.6 | Very low | 32.5 | Very low | 239 Ų | 239 | 150.2 Ų | 150.2 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -75.4 | 145.2 | 169.6 | -64.4 | 157.6 | 130.3 | 176.2 | -4.8 | 108.6 | ||||
| 197 | E | 29.7 | Very low | 32.6 | Very low | 204 Ų | 204 | 152 Ų | 152 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | trans | -142 | 144.8 | 137.6 | -72.8 | -157 | 145 | 0 | 0 | 110.1 | ||||
| 198 | A | 34.1 | Very low | 32.3 | Very low | 91 Ų | 91 | 149.5 Ų | 149.5 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -115 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 199 | E | 32.8 | Very low | 32.7 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | 87.3 | 140.5 | 178.7 | -52.3 | -155.3 | 134.1 | 0 | 0 | 114 | ||||
| 200 | D | 30.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 152 Ų | 152 | 68% | 0.684 | 83% | 0.83 | S | S | * | * | cis | -152.4 | 151.4 | 26 | -170.6 | 16.3 | 0 | 0 | 0 | 111.2 | ||||
| 201 | R | 37.6 | Very low | 33.3 | Very low | 235 Ų | 235 | 149.2 Ų | 149.2 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -89.1 | 124.9 | 172.8 | -57.9 | 175.1 | 94.1 | 173.4 | 8 | 108 | ||||
| 202 | R | 31.6 | Very low | 34.1 | Very low | 242 Ų | 242 | 145.8 Ų | 145.8 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -138.1 | 131.6 | 154.8 | -90.6 | -168.6 | 173.3 | -147.1 | -1 | 112.8 | ||||
| 203 | A | 27.8 | Very low | 35.1 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | -111.8 | 152.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 204 | V | 34 | Very low | 35.4 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | trans | 68.8 | 159.3 | 153.3 | -68.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 205 | P | 45 | Very low | 35.6 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | cis | -134.7 | 175.8 | -17.9 | 25.4 | -2.2 | 0 | 0 | 0 | 114.3 | ||||
| 206 | G | 27.4 | Very low | 36.3 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 177.5 | 92.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 207 | L | 34.6 | Very low | 36.7 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -56.8 | 136.7 | 166.3 | -96.6 | 69.8 | 0 | 0 | 0 | 111.7 | ||||
| 208 | T | 31.4 | Very low | 37.4 | Very low | 147 Ų | 147 | 137 Ų | 137 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | -144.6 | 118.6 | 129.8 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 209 | V | 41.2 | Very low | 37.9 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -73.8 | 130.9 | 168.9 | 162 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 210 | K | 35.9 | Very low | 39 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -146 | 102.8 | 153.6 | -105.8 | 179.8 | 178.6 | 178.1 | 0 | 109.8 | ||||
| 211 | T | 43 | Very low | 40 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | trans | -75.7 | 152.2 | 157.8 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | P | 48.3 | Very low | 41 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -130.4 | 165.3 | 132.8 | 34.5 | -22.2 | 0 | 0 | 0 | 112.5 | ||||
| 213 | P | 47 | Very low | 42.3 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -99.2 | 166.9 | -159.8 | 37.9 | -32.4 | 0 | 0 | 0 | 114.1 | ||||
| 214 | S | 35.3 | Very low | 44 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 81.8 | 104.3 | 150.5 | -169.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 215 | A | 33.2 | Very low | 45.4 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -173.5 | 127.9 | 111.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 216 | A | 47.8 | Very low | 46.4 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -61.8 | 130 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 217 | H | 43.8 | Very low | 48.4 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | -165.9 | 125.2 | 145.5 | -80.5 | -55.5 | 0 | 0 | 0 | 110.9 | ||||
| 218 | G | 43.9 | Very low | 50.3 | Low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 87.7 | 68.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | L220 | G218-L220 PolarHBondContact O-N 2.92Å; G218-L220 VanDerWaalsContact O-N 3.11Å | ||
| 219 | M | 44.7 | Very low | 52.5 | Low | 188 Ų | 188 | 126.4 Ų | 126.4 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 100.1 | 165.8 | -169.4 | 124.7 | 59.2 | 0 | 0 | 109.7 | H221 | M219-H221 PolarHBondContact O-N 3.35Š| ||
| 220 | L | 54.7 | Low | 54 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 105.9 | 172.7 | -66.5 | 176.4 | 0 | 0 | 0 | 109.4 | G218 L222 | G218-L220 PolarHBondContact O-N 2.92Å; G218-L220 VanDerWaalsContact O-N 3.11Å; L220-L222 PolarHBondContact O-N 2.94Å | ||
| 221 | H | 52.6 | Low | 56 | Low | 179 Ų | 179 | 119 Ų | 119 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -72.4 | 103 | 169.5 | -179.4 | 74 | 0 | 0 | 0 | 109.2 | M219 | M219-H221 PolarHBondContact O-N 3.35Š| ||
| 222 | L | 58 | Low | 57.7 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 52% | 0.524 | 75% | 0.754 | S | S | . | * | trans | -88.2 | 140.2 | 171.2 | -76.3 | 143.3 | 0 | 0 | 0 | 109.6 | L220 S224 | L220-L222 PolarHBondContact O-N 2.94Å; L222-S224 PolarHBondContact O-N 3.43Å; L222-S224 VanDerWaalsContact O-N 3.1Å | ||
| 223 | P | 58 | Low | 58.9 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 113.8 | 177.2 | 26.2 | -32.5 | 0 | 0 | 0 | 110.5 | A225 | P223-A225 PolarHBondContact O-N 3.08Š| ||
| 224 | S | 64.1 | Low | 60 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 92% | 0.923 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 19.6 | -4 | 162.6 | -156.8 | 0 | 0 | 0 | 0 | 124.1 | L222 | L222-S224 PolarHBondContact O-N 3.43Å; L222-S224 VanDerWaalsContact O-N 3.1Å |
| 225 | A | 64.4 | Low | 61.4 | Low | 101 Ų | 101 | 117.8 Ų | 117.8 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -116.6 | -6.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P223 | P223-A225 PolarHBondContact O-N 3.08Š|
| 226 | A | 64.5 | Low | 62.8 | Low | 71 Ų | 71 | 117.5 Ų | 117.5 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | trans | -141.8 | 130.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 227 | V | 70.7 | Confident | 63.4 | Low | 133 Ų | 133 | 117.9 Ų | 117.9 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -101.1 | 125.6 | 177.7 | 179 | 0 | 0 | 0 | 0 | 108.8 | V229 | V227-V229 PolarHBondContact O-N 3.23Š| ||
| 228 | C | 74.1 | Confident | 64.1 | Low | 83 Ų | 83 | 119 Ų | 119 | 56% | 0.561 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 116 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 229 | V | 76.8 | Confident | 64.7 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -94.4 | -8.6 | -178 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | V227 | V227-V229 PolarHBondContact O-N 3.23Š| ||
| 230 | G | 73.1 | Confident | 64.9 | Low | 61 Ų | 61 | 115.7 Ų | 115.7 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | 168.4 | 153.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 231 | V | 78.1 | Confident | 64.8 | Low | 107 Ų | 107 | 113.7 Ų | 113.7 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | trans | -114.3 | 125.3 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 232 | L | 78.7 | Confident | 64.8 | Low | 121 Ų | 121 | 110 Ų | 110 | 63% | 0.634 | 73% | 0.732 | S | S | * | * | trans | -72.6 | 135.6 | -179.3 | -70.4 | 171.7 | 0 | 0 | 0 | 110.7 | G234 L235 | L232-G234 PolarHBondContact O-N 2.92Å; L232-L235 HydrophobicContact CB-CB 4.32Å; L232-L235 HydrophobicContact CB-CD1 4.22Å; L232-L235 HydrophobicContact CD1-CD1 4.14Å; L232-L235 PolarHBondContact O-N 2.69Å | ||
| 233 | P | 73.1 | Confident | 64.9 | Low | 131 Ų | 131 | 112.4 Ų | 112.4 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 128.9 | 174.3 | -20.6 | 31.3 | 0 | 0 | 0 | 111 | ||
| 234 | G | 69.9 | Low | 64.8 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.8 | -3.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L232 | L232-G234 PolarHBondContact O-N 2.92Š|
| 235 | L | 65.9 | Low | 64.3 | Low | 130 Ų | 130 | 113.3 Ų | 113.3 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | trans | -114.5 | 39.5 | 179 | -95.1 | 150.2 | 0 | 0 | 0 | 112 | L232 A237 | L232-L235 HydrophobicContact CB-CB 4.32Å; L232-L235 HydrophobicContact CB-CD1 4.22Å; L232-L235 HydrophobicContact CD1-CD1 4.14Å; L232-L235 PolarHBondContact O-N 2.69Å; L235-A237 PolarHBondContact O-N 3.43Å | ||
| 236 | S | 62.6 | Low | 63.7 | Low | 87 Ų | 87 | 113.8 Ų | 113.8 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | -71.2 | 130.9 | 168.8 | -71 | 0 | 0 | 0 | 0 | 109.4 | Y238 | S236-Y238 PolarHBondContact O-N 3.17Å; S236-Y238 VanDerWaalsContact O-N 3.07Å | ||
| 237 | A | 60.7 | Low | 63.2 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -57.3 | 114.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | L235 S239 | L235-A237 PolarHBondContact O-N 3.43Å; A237-S239 PolarHBondContact O-N 2.87Å; A237-S239 VanDerWaalsContact O-N 3.08Å | ||
| 238 | Y | 58.3 | Low | 62.8 | Low | 222 Ų | 222 | 115 Ų | 115 | 87% | 0.871 | 75% | 0.75 | S | S | * | * | trans | -65.1 | 108.8 | 164.2 | -65.8 | -85.7 | 0 | 0 | 0 | 106.2 | S236 G240 | S236-Y238 PolarHBondContact O-N 3.17Å; S236-Y238 VanDerWaalsContact O-N 3.07Å; Y238-G240 PolarHBondContact O-N 2.93Å | ||
| 239 | S | 56.3 | Low | 62.7 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -66.9 | 72.5 | 164.4 | -77.2 | 0 | 0 | 0 | 0 | 108.7 | A237 S241 | A237-S239 PolarHBondContact O-N 2.87Å; A237-S239 VanDerWaalsContact O-N 3.08Å; S239-S241 VanDerWaalsContact C-N 3.33Å | ||
| 240 | G | 49.3 | Very low | 62 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -96.6 | 54 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y238 S242 | Y238-G240 PolarHBondContact O-N 2.93Å; G240-S242 VanDerWaalsContact C-N 3.32Å; G240-S242 PolarHBondContact O-N 3.27Å | ||
| 241 | S | 52.3 | Low | 61.3 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -80.9 | 89.2 | 158.4 | 53.8 | 0 | 0 | 0 | 0 | 107.1 | S239 | S239-S241 VanDerWaalsContact C-N 3.33Š| ||
| 242 | S | 52.6 | Low | 59.9 | Low | 101 Ų | 101 | 126.8 Ų | 126.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -124.7 | 75.5 | 164.4 | -163.2 | 0 | 0 | 0 | 0 | 107.5 | G240 S244 | G240-S242 VanDerWaalsContact C-N 3.32Å; G240-S242 PolarHBondContact O-N 3.27Å; S242-S244 PolarHBondContact O-N 2.72Å | ||
| 243 | D | 59.6 | Low | 58.9 | Low | 152 Ų | 152 | 127.1 Ų | 127.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -60.5 | 117 | 157.5 | -84.5 | -55.2 | 0 | 0 | 0 | 107.6 | ||||
| 244 | S | 55.7 | Low | 58.2 | Low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -136.6 | 85.3 | 165.8 | -69.6 | 0 | 0 | 0 | 0 | 107.5 | S242 S246 | S242-S244 PolarHBondContact O-N 2.72Å; S244-S246 PolarHBondContact O-N 3.26Å | ||
| 245 | D | 53.5 | Low | 57.5 | Low | 158 Ų | 158 | 129.6 Ų | 129.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -57.9 | 112.6 | 157.7 | -74.9 | -54.7 | 0 | 0 | 0 | 108.7 | ||||
| 246 | S | 52 | Low | 57 | Low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -130.7 | 76.3 | 163.6 | -165 | 0 | 0 | 0 | 0 | 108.7 | S244 S248 | S244-S246 PolarHBondContact O-N 3.26Å; S246-S248 PolarHBondContact O-N 3.07Å; S246-S248 VanDerWaalsContact O-N 3.13Å | ||
| 247 | S | 54 | Low | 56.7 | Low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -60.1 | 107.8 | 158.1 | -83.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 248 | S | 62.3 | Low | 56.4 | Low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -106.3 | 87.3 | 159.3 | -147.4 | 0 | 0 | 0 | 0 | 107.5 | S246 | S246-S248 PolarHBondContact O-N 3.07Å; S246-S248 VanDerWaalsContact O-N 3.13Å | ||
| 249 | D | 71.8 | Confident | 56.3 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -62.1 | 121.7 | 158.1 | 179.5 | 61 | 0 | 0 | 0 | 108.2 | ||||
| 250 | S | 62.7 | Low | 56.3 | Low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -154.4 | 101.8 | 165.6 | -73.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 251 | E | 58 | Low | 56.9 | Low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -59.8 | 130 | 163.1 | -51.6 | -159 | 106.2 | 0 | 0 | 110.3 | ||||
| 252 | V | 47.7 | Very low | 57.3 | Low | 221 Ų | 221 | 136 Ų | 136 | 100% | 1.339 | 83% | 0.828 | S | S | * | * | trans | -167.3 | 0 | 138.4 | -84.6 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 252 of 252 residues in 455 ms
(Link to these results)