| 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 | 46 | Very low | 57.6 | Low | 229 Ų | 229 | 144 Ų | 144 | 100% | 1.128 | 81% | 0.807 | S | S | * | * | 0 | 105.4 | 0 | -86 | 167.9 | 167.9 | 0 | 0 | 108 | |||||
| 2 | A | 49.7 | Very low | 58.3 | Low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 115.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | H4 | A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 PolarHBondContact O-ND1 3.47Å | ||
| 3 | M | 59.5 | Low | 59.3 | Low | 162 Ų | 162 | 139.7 Ų | 139.7 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -78.8 | 105.8 | 176.9 | -58 | -60.4 | -174.3 | 0 | 0 | 108.3 | N5 | M3-N5 PolarHBondContact O-N 2.75Š| ||
| 4 | H | 53.5 | Low | 61 | Low | 171 Ų | 171 | 137.1 Ų | 137.1 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -76.9 | 100.6 | 174.7 | -64.9 | 82.6 | 0 | 0 | 0 | 108.6 | A2 K6 | A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 PolarHBondContact O-ND1 3.47Å; H4-K6 PolarHBondContact O-N 3.13Å | ||
| 5 | N | 58.8 | Low | 63 | Low | 159 Ų | 159 | 133.7 Ų | 133.7 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -69.6 | 100 | 166.6 | -91.2 | -0.6 | 0 | 0 | 0 | 108.5 | M3 A7 | M3-N5 PolarHBondContact O-N 2.75Å; N5-A7 PolarHBondContact O-N 3.11Å | ||
| 6 | K | 56.1 | Low | 64.7 | Low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 97.9 | 172.5 | -159.3 | 169.6 | -174.7 | 177 | 0 | 107.7 | H4 A8 | H4-K6 PolarHBondContact O-N 3.13Å; K6-A8 PolarHBondContact O-N 3.04Å | ||
| 7 | A | 62.3 | Low | 66.4 | Low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 126.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | N5 | N5-A7 PolarHBondContact O-N 3.11Š|
| 8 | A | 63.5 | Low | 67.8 | Low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132.2 | 174 | 0 | 0 | 0 | 0 | 0 | 108.8 | K6 | K6-A8 PolarHBondContact O-N 3.04Š|
| 9 | P | 61.8 | Low | 69.3 | Low | 102 Ų | 102 | 136.6 Ų | 136.6 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 145 | 176.9 | 23.8 | -31 | 0 | 0 | 0 | 109.8 | Q11 | P9-Q11 PolarHBondContact O-N 3.1Å; P9-Q11 VanDerWaalsContact O-N 3.09Å |
| 10 | P | 60.1 | Low | 70.6 | Confident | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 119.5 | 177.9 | 23.8 | -31.9 | 0 | 0 | 0 | 108.8 | I12 | P10-I12 PolarHBondContact O-N 3.15Š|
| 11 | Q | 62.5 | Low | 71.8 | Confident | 177 Ų | 177 | 131.6 Ų | 131.6 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | trans | -67.2 | 97.4 | 172.9 | -73.4 | -71.8 | -9.3 | 0 | 0 | 107.4 | P9 P13 | P9-Q11 PolarHBondContact O-N 3.1Å; P9-Q11 VanDerWaalsContact O-N 3.09Å; Q11-P13 VanDerWaalsContact O-CD 3.3Å; Q11-P13 WeakPolarHBondContact O-CD 3.3Å | ||
| 12 | I | 65.6 | Low | 74.3 | Confident | 142 Ų | 142 | 125.4 Ų | 125.4 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | trans | -66.6 | 117 | 171.2 | -59.1 | 168.3 | 0 | 0 | 0 | 105.5 | P10 D14 | P10-I12 PolarHBondContact O-N 3.15Å; I12-D14 PolarHBondContact O-N 3.35Å | ||
| 13 | P | 71.9 | Confident | 76.6 | Confident | 90 Ų | 90 | 125.6 Ų | 125.6 | 58% | 0.584 | 67% | 0.666 | S | S | * | * | trans | -56.6 | 140.5 | 176.2 | 21.1 | -29.6 | 0 | 0 | 0 | 109.4 | Q11 T15 | Q11-P13 VanDerWaalsContact O-CD 3.3Å; Q11-P13 WeakPolarHBondContact O-CD 3.3Å; P13-T15 PolarHBondContact O-N 2.96Å | ||
| 14 | D | 82.3 | Confident | 78.4 | Confident | 104 Ų | 104 | 124.1 Ų | 124.1 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | trans | -72 | 76 | -179.6 | -172.1 | -3.2 | 0 | 0 | 0 | 110.3 | I12 R16 R17 E18 | I12-D14 PolarHBondContact O-N 3.35Å; D14-R16 PolarHBondContact O-N 3.18Å; D14-R16 VanDerWaalsContact O-N 3.15Å; D14-R17 HydrophobicContact CB-CB 4.15Å; D14-R17 WeakPolarHBondContact O-CB 3.46Å; D14-R17 PolarHBondContact O-N 3.22Å; D14-R17 PolarHBondContact OD1-N 3.34Å; D14-E18 PolarHBondContact O-N 2.76Å; D14-E18 VanDerWaalsContact O-N 3.08Å | ||
| 15 | T | 91.4 | Very high | 80.5 | Confident | 86 Ų | 86 | 124 Ų | 124 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -57.2 | -27 | -177.6 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | P13 L19 | P13-T15 PolarHBondContact O-N 2.96Å; T15-L19 VanDerWaalsContact O-CB 3.3Å; T15-L19 WeakPolarHBondContact O-CB 3.3Å; T15-L19 PolarHBondContact O-N 3.05Å |
| 16 | R | 90.9 | Very high | 82.4 | Confident | 210 Ų | 210 | 124.2 Ų | 124.2 | 79% | 0.792 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.2 | -43.3 | 175.7 | -73.4 | -172.8 | 168.2 | -143.1 | -2.1 | 111.4 | D14 A20 | D14-R16 PolarHBondContact O-N 3.18Å; D14-R16 VanDerWaalsContact O-N 3.15Å; R16-A20 PolarHBondContact O-N 3.32Å; R16-A20 VanDerWaalsContact O-N 3.1Å |
| 17 | R | 92.3 | Very high | 84.4 | Confident | 160 Ų | 160 | 120 Ų | 120 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.7 | -46.1 | 174.8 | 178.5 | -178.7 | 169.1 | 171.5 | -0.3 | 111.3 | D14 L19 A20 E21 | D14-R17 HydrophobicContact CB-CB 4.15Å; D14-R17 WeakPolarHBondContact O-CB 3.46Å; D14-R17 PolarHBondContact O-N 3.22Å; D14-R17 PolarHBondContact OD1-N 3.34Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 2.95Å; R17-A20 WeakPolarHBondContact O-CB 3.31Å; R17-A20 PolarHBondContact O-N 3.32Å; R17-A20 VanDerWaalsContact O-N 3.14Å; R17-E21 IonicContact CZ-OE1 2.7Å; R17-E21 IonicContact NE-OE1 3.02Å; R17-E21 PolarHBondContact NE-OE1 2.97Å; R17-E21 IonicContact NH2-OE1 2.99Å; R17-E21 PolarHBondContact O-N 2.74Å |
| 18 | E | 93 | Very high | 86.1 | Confident | 110 Ų | 110 | 120 Ų | 120 | 51% | 0.514 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -58.7 | -44.5 | 177.6 | -175.7 | 179.5 | -176 | 0 | 0 | 111.6 | D14 A20 E21 L22 | D14-E18 PolarHBondContact O-N 2.76Å; D14-E18 VanDerWaalsContact O-N 3.08Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 3.07Å; E18-E21 PolarHBondContact O-N 3.44Å; E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.44Å |
| 19 | L | 95.1 | Very high | 87.7 | Confident | 109 Ų | 109 | 120.7 Ų | 120.7 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.1 | -43.1 | 175.3 | 179.9 | 62.6 | 0 | 0 | 0 | 112 | T15 R17 E21 L22 V23 | T15-L19 VanDerWaalsContact O-CB 3.3Å; T15-L19 WeakPolarHBondContact O-CB 3.3Å; T15-L19 PolarHBondContact O-N 3.05Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 2.95Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-V23 HydrophobicContact CD1-CG2 4.27Å; L19-V23 HydrophobicContact CG-CG2 4.48Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.37Å; L19-V23 PolarHBondContact O-N 3.05Å |
| 20 | A | 95.5 | Very high | 89.4 | Confident | 61 Ų | 61 | 118.5 Ų | 118.5 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R16 R17 E18 V23 K24 | R16-A20 PolarHBondContact O-N 3.32Å; R16-A20 VanDerWaalsContact O-N 3.1Å; R17-A20 WeakPolarHBondContact O-CB 3.31Å; R17-A20 PolarHBondContact O-N 3.32Å; R17-A20 VanDerWaalsContact O-N 3.14Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 3.07Å; A20-V23 PolarHBondContact O-N 3.27Å; A20-K24 WeakPolarHBondContact O-CB 3.42Å; A20-K24 PolarHBondContact O-N 3.48Å |
| 21 | E | 96.1 | Very high | 91.1 | Very high | 108 Ų | 108 | 117.9 Ų | 117.9 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.3 | -41.6 | 175.7 | -69.5 | 178.4 | -168.4 | 0 | 0 | 111.6 | R17 E18 L19 K24 R25 | R17-E21 IonicContact CZ-OE1 2.7Å; R17-E21 IonicContact NE-OE1 3.02Å; R17-E21 PolarHBondContact NE-OE1 2.97Å; R17-E21 IonicContact NH2-OE1 2.99Å; R17-E21 PolarHBondContact O-N 2.74Å; E18-E21 PolarHBondContact O-N 3.44Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.01Å; E21-K24 PolarHBondContact O-N 3.22Å; E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.01Å |
| 22 | L | 97.7 | Very high | 92.8 | Very high | 99 Ų | 99 | 113 Ų | 113 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -42.3 | 176 | -71.8 | 174.2 | 0 | 0 | 0 | 112.8 | E18 L19 R25 K26 | E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.09Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-K26 WeakPolarHBondContact O-CB 3.41Å; L22-K26 PolarHBondContact O-N 3.14Å |
| 23 | V | 97.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 110.4 Ų | 110.4 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 176.9 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L19 A20 R25 K26 Q27 | L19-V23 HydrophobicContact CD1-CG2 4.27Å; L19-V23 HydrophobicContact CG-CG2 4.48Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.37Å; L19-V23 PolarHBondContact O-N 3.05Å; A20-V23 PolarHBondContact O-N 3.27Å; V23-R25 PolarHBondContact O-N 3.48Å; V23-K26 WeakPolarHBondContact O-CB 3.43Å; V23-K26 PolarHBondContact O-N 2.91Å; V23-Q27 PolarHBondContact O-N 3.46Å |
| 24 | K | 98 | Very high | 95.5 | Very high | 131 Ų | 131 | 107 Ų | 107 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.7 | -48.3 | 175.7 | -172.3 | -172 | -179.3 | -159.3 | 0 | 111.2 | A20 E21 K26 Q27 E28 | A20-K24 WeakPolarHBondContact O-CB 3.42Å; A20-K24 PolarHBondContact O-N 3.48Å; E21-K24 PolarHBondContact O-N 3.22Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.41Å; K24-Q27 WeakPolarHBondContact O-CB 3.34Å; K24-Q27 PolarHBondContact O-N 2.94Å; K24-Q27 VanDerWaalsContact O-N 3.11Å; K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 IonicContact NZ-OE1 2.9Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 2.95Å |
| 25 | R | 98.1 | Very high | 96.3 | Very high | 169 Ų | 169 | 105.7 Ų | 105.7 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 178.5 | -171.4 | 176.4 | -175.5 | 136.5 | 1.8 | 112.3 | E21 L22 V23 Q27 E28 L29 | E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.01Å; L22-R25 PolarHBondContact O-N 3.3Å; V23-R25 PolarHBondContact O-N 3.48Å; R25-Q27 VanDerWaalsContact C-N 3.3Å; R25-Q27 PolarHBondContact O-N 3.08Å; R25-E28 PolarHBondContact O-N 3.4Å; R25-L29 HydrophobicContact CG-CD1 4.33Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-L29 PolarHBondContact O-N 3.43Å |
| 26 | K | 97.9 | Very high | 96.6 | Very high | 163 Ų | 163 | 105.8 Ų | 105.8 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 174.5 | -179.3 | -173.2 | 173.1 | -173.9 | 0 | 111.1 | L22 V23 K24 A30 | L22-K26 WeakPolarHBondContact O-CB 3.41Å; L22-K26 PolarHBondContact O-N 3.14Å; V23-K26 WeakPolarHBondContact O-CB 3.43Å; V23-K26 PolarHBondContact O-N 2.91Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.41Å; K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 3.31Å |
| 27 | Q | 97.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 96.3 Ų | 96.3 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 177.5 | -179.4 | 177 | -13.7 | 0 | 0 | 111.8 | V23 K24 R25 L29 A30 E31 | V23-Q27 PolarHBondContact O-N 3.46Å; K24-Q27 WeakPolarHBondContact O-CB 3.34Å; K24-Q27 PolarHBondContact O-N 2.94Å; K24-Q27 VanDerWaalsContact O-N 3.11Å; R25-Q27 VanDerWaalsContact C-N 3.3Å; R25-Q27 PolarHBondContact O-N 3.08Å; Q27-L29 VanDerWaalsContact C-N 3.27Å; Q27-L29 PolarHBondContact O-N 3.34Å; Q27-A30 WeakPolarHBondContact O-CB 3.48Å; Q27-A30 PolarHBondContact O-N 3.34Å; Q27-A30 VanDerWaalsContact O-N 3.07Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.37Å; Q27-E31 PolarHBondContact NE2-OE1 3.04Å; Q27-E31 WeakPolarHBondContact O-CG 3.3Å; Q27-E31 PolarHBondContact O-N 3.04Å |
| 28 | E | 97.9 | Very high | 97.2 | Very high | 90 Ų | 90 | 91.4 Ų | 91.4 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 177.9 | -69.3 | 170.1 | 179.3 | 0 | 0 | 111.9 | K24 R25 T32 | K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 IonicContact NZ-OE1 2.9Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 2.95Å; R25-E28 PolarHBondContact O-N 3.4Å; E28-T32 WeakPolarHBondContact O-CB 3.47Å; E28-T32 PolarHBondContact O-N 2.57Å; E28-T32 PolarHBondContact O-OG1 3.46Å |
| 29 | L | 98.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 90.9 Ų | 90.9 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67 | -40.1 | 175.5 | -72.5 | 174.6 | 0 | 0 | 0 | 112.4 | R25 Q27 T32 L33 | R25-L29 HydrophobicContact CG-CD1 4.33Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-L29 PolarHBondContact O-N 3.43Å; Q27-L29 VanDerWaalsContact C-N 3.27Å; Q27-L29 PolarHBondContact O-N 3.34Å; L29-T32 PolarHBondContact O-N 3.2Å; L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 PolarHBondContact O-N 3.37Å |
| 30 | A | 96.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 89.1 Ų | 89.1 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K26 Q27 L33 A34 | K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 3.31Å; Q27-A30 WeakPolarHBondContact O-CB 3.48Å; Q27-A30 PolarHBondContact O-N 3.34Å; Q27-A30 VanDerWaalsContact O-N 3.07Å; A30-L33 PolarHBondContact O-N 2.98Å; A30-A34 WeakPolarHBondContact O-CB 3.42Å; A30-A34 PolarHBondContact O-N 3.02Å |
| 31 | E | 96.6 | Very high | 97.7 | Very high | 101 Ų | 101 | 89.3 Ų | 89.3 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.1 | -70.8 | 173.2 | -165.1 | 0 | 0 | 111.5 | Q27 A34 N35 | Q27-E31 WeakPolarHBondContact CG-OE1 3.37Å; Q27-E31 PolarHBondContact NE2-OE1 3.04Å; Q27-E31 WeakPolarHBondContact O-CG 3.3Å; Q27-E31 PolarHBondContact O-N 3.04Å; E31-A34 PolarHBondContact O-N 3.03Å; E31-N35 WeakPolarHBondContact O-CB 3.41Å; E31-N35 VanDerWaalsContact O-CG 3.31Å; E31-N35 PolarHBondContact O-N 3.38Å; E31-N35 PolarHBondContact O-ND2 3.01Å |
| 32 | T | 97.9 | Very high | 97.8 | Very high | 74 Ų | 74 | 87.1 Ų | 87.1 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | E28 L29 N35 L36 | E28-T32 WeakPolarHBondContact O-CB 3.47Å; E28-T32 PolarHBondContact O-N 2.57Å; E28-T32 PolarHBondContact O-OG1 3.46Å; L29-T32 PolarHBondContact O-N 3.2Å; T32-N35 WeakPolarHBondContact O-CB 3.49Å; T32-N35 PolarHBondContact O-N 3.18Å; T32-L36 HydrophobicContact CG2-CD1 4.35Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 3.31Å |
| 33 | L | 97.7 | Very high | 97.8 | Very high | 88 Ų | 88 | 89 Ų | 89 | 46% | 0.461 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59 | -50.8 | 176.5 | 178.5 | 64.4 | 0 | 0 | 0 | 111 | L29 A30 N35 L36 E37 | L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 PolarHBondContact O-N 3.37Å; A30-L33 PolarHBondContact O-N 2.98Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.41Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-L36 VanDerWaalsContact O-N 3.09Å; L33-E37 HydrophobicContact CD1-CG 4.28Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.16Å; L33-E37 PolarHBondContact O-N 3.02Å |
| 34 | A | 97.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 85.4 Ų | 85.4 | 16% | 0.157 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -36.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | A30 E31 R38 A99 | A30-A34 WeakPolarHBondContact O-CB 3.42Å; A30-A34 PolarHBondContact O-N 3.02Å; E31-A34 PolarHBondContact O-N 3.03Å; A34-R38 WeakPolarHBondContact O-CB 3.47Å; A34-R38 VanDerWaalsContact O-CG 3.3Å; A34-R38 WeakPolarHBondContact O-CG 3.46Å; A34-R38 PolarHBondContact O-N 3.44Å; A34-R38 VanDerWaalsContact O-N 3.09Å; A34-R38 PolarHBondContact O-NE 3.46Å; A34-A99 HydrophobicContact CB-CB 4.21Å |
| 35 | N | 97.7 | Very high | 97.7 | Very high | 76 Ų | 76 | 79.8 Ų | 79.8 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.8 | -77.4 | -31.9 | 0 | 0 | 0 | 112.4 | E31 T32 L33 R38 Q39 | E31-N35 WeakPolarHBondContact O-CB 3.41Å; E31-N35 VanDerWaalsContact O-CG 3.31Å; E31-N35 PolarHBondContact O-N 3.38Å; E31-N35 PolarHBondContact O-ND2 3.01Å; T32-N35 WeakPolarHBondContact O-CB 3.49Å; T32-N35 PolarHBondContact O-N 3.18Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.41Å; N35-R38 PolarHBondContact O-N 3.01Å; N35-R38 PolarHBondContact OD1-NH2 3.11Å; N35-Q39 WeakPolarHBondContact O-CG 3.49Å; N35-Q39 PolarHBondContact O-N 3.01Å; N35-Q39 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 98.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 178.2 | -70.8 | 172.1 | 0 | 0 | 0 | 111.7 | T32 L33 R38 Q39 I40 | T32-L36 HydrophobicContact CG2-CD1 4.35Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-L36 VanDerWaalsContact O-N 3.09Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.07Å; L36-Q39 WeakPolarHBondContact O-CB 3.17Å; L36-Q39 PolarHBondContact O-N 2.89Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 3.39Å |
| 37 | E | 98 | Very high | 97.6 | Very high | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.9 | -69.9 | 180 | 138.1 | 0 | 0 | 112 | L33 I40 Y41 S93 T95 S96 A99 | L33-E37 HydrophobicContact CD1-CG 4.28Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.16Å; L33-E37 PolarHBondContact O-N 3.02Å; E37-I40 PolarHBondContact O-N 3.38Å; E37-Y41 PolarHBondContact O-N 3Å; E37-S93 WeakPolarHBondContact OE1-CB 3.32Å; E37-S93 PolarHBondContact OE1-OG 2.96Å; E37-T95 WeakPolarHBondContact OE1-CB 3.19Å; E37-T95 PolarHBondContact OE1-OG1 2.86Å; E37-T95 PolarHBondContact OE2-OG1 2.92Å; E37-S96 PolarHBondContact OE1-N 3.01Å; E37-A99 HydrophobicContact CB-CB 4.02Å; E37-A99 WeakPolarHBondContact OE2-CB 3.26Å |
| 38 | R | 97.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 65.4 Ų | 65.4 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 172.8 | -75.9 | -174.9 | -73.5 | -93.8 | 6.9 | 112.7 | A34 N35 L36 Y41 A42 A99 | A34-R38 WeakPolarHBondContact O-CB 3.47Å; A34-R38 VanDerWaalsContact O-CG 3.3Å; A34-R38 WeakPolarHBondContact O-CG 3.46Å; A34-R38 PolarHBondContact O-N 3.44Å; A34-R38 VanDerWaalsContact O-N 3.09Å; A34-R38 PolarHBondContact O-NE 3.46Å; N35-R38 PolarHBondContact O-N 3.01Å; N35-R38 PolarHBondContact OD1-NH2 3.11Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.07Å; R38-Y41 PolarHBondContact O-N 3.3Å; R38-A42 PolarHBondContact O-N 3.01Å; R38-A99 WeakPolarHBondContact CD-O 3.38Å; R38-A99 WeakPolarHBondContact CG-O 3.27Å; R38-A99 PolarHBondContact NH1-O 2.98Å |
| 39 | Q | 98.1 | Very high | 97.3 | Very high | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.9 | -73.9 | 173.6 | 44.7 | 0 | 0 | 111.6 | N35 L36 Y41 A42 F43 | N35-Q39 WeakPolarHBondContact O-CG 3.49Å; N35-Q39 PolarHBondContact O-N 3.01Å; N35-Q39 VanDerWaalsContact O-N 3.08Å; L36-Q39 WeakPolarHBondContact O-CB 3.17Å; L36-Q39 PolarHBondContact O-N 2.89Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-Y41 PolarHBondContact O-N 3.43Å; Q39-A42 PolarHBondContact O-N 3.37Å; Q39-F43 HydrophobicContact CB-CD2 4.44Å; Q39-F43 HydrophobicContact CB-CE2 4.33Å; Q39-F43 WeakPolarHBondContact O-CB 3.25Å; Q39-F43 VanDerWaalsContact O-CD2 3.23Å; Q39-F43 WeakPolarHBondContact O-CD2 3.35Å; Q39-F43 WeakPolarHBondContact O-CG 3.24Å; Q39-F43 PolarHBondContact O-N 3.25Å |
| 40 | I | 98.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 68.5 Ų | 68.5 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 175.2 | -69.1 | 166 | 0 | 0 | 0 | 109.6 | L36 E37 A42 F43 E44 F89 | L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 3.39Å; E37-I40 PolarHBondContact O-N 3.38Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 2.96Å; I40-F43 PolarHBondContact O-N 3.23Å; I40-E44 HydrophobicContact CG2-CG 4.26Å; I40-E44 WeakPolarHBondContact O-CB 3.29Å; I40-E44 VanDerWaalsContact O-CG 3.32Å; I40-E44 WeakPolarHBondContact O-CG 3.42Å; I40-E44 PolarHBondContact O-N 2.7Å; I40-F89 HydrophobicContact CG2-CB 3.68Å |
| 41 | Y | 98.1 | Very high | 97 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 178.6 | -174.8 | -87.6 | 0 | 0 | 0 | 112.5 | E37 R38 Q39 G45 E84 R87 S90 V100 | E37-Y41 PolarHBondContact O-N 3Å; R38-Y41 PolarHBondContact O-N 3.3Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-Y41 PolarHBondContact O-N 3.43Å; Y41-G45 PolarHBondContact O-N 2.96Å; Y41-E84 VanDerWaalsContact CE2-OE1 3.29Å; Y41-E84 WeakPolarHBondContact CE2-OE1 3.48Å; Y41-E84 PolarHBondContact OH-OE1 3.39Å; Y41-E84 PolarHBondContact OH-OE2 3.26Å; Y41-R87 VanDerWaalsContact CE2-CD 3.4Å; Y41-R87 VanDerWaalsContact CE2-NE 3.28Å; Y41-R87 PolarHBondContact O-NH1 2.97Å; Y41-S90 WeakPolarHBondContact CA-OG 3.2Å; Y41-V100 HydrophobicContact CD1-CG1 4.02Å; Y41-V100 HydrophobicContact CD1-CG2 4.02Å; Y41-V100 HydrophobicContact CD2-CG1 4.49Å; Y41-V100 HydrophobicContact CD2-CG2 3.8Å; Y41-V100 HydrophobicContact CE1-CG1 3.91Å; Y41-V100 HydrophobicContact CE2-CG1 4.38Å; Y41-V100 HydrophobicContact CE2-CG2 4.42Å; Y41-V100 HydrophobicContact CG-CG1 4.32Å; Y41-V100 HydrophobicContact CG-CG2 3.57Å |
| 42 | A | 97.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 64 Ų | 64 | 51% | 0.512 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R38 Q39 I40 E44 G45 S46 | R38-A42 PolarHBondContact O-N 3.01Å; Q39-A42 PolarHBondContact O-N 3.37Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 2.96Å; A42-E44 PolarHBondContact O-N 3.38Å; A42-G45 PolarHBondContact O-N 3.01Å; A42-G45 VanDerWaalsContact O-N 3.11Å; A42-S46 PolarHBondContact O-N 3.12Å |
| 43 | F | 98.3 | Very high | 96.1 | Very high | 137 Ų | 137 | 64.5 Ų | 64.5 | 60% | 0.601 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65 | -37.3 | -179.6 | -74.5 | -43.2 | 0 | 0 | 0 | 113.5 | Q39 I40 G45 S46 Y47 | Q39-F43 HydrophobicContact CB-CD2 4.44Å; Q39-F43 HydrophobicContact CB-CE2 4.33Å; Q39-F43 WeakPolarHBondContact O-CB 3.25Å; Q39-F43 VanDerWaalsContact O-CD2 3.23Å; Q39-F43 WeakPolarHBondContact O-CD2 3.35Å; Q39-F43 WeakPolarHBondContact O-CG 3.24Å; Q39-F43 PolarHBondContact O-N 3.25Å; I40-F43 PolarHBondContact O-N 3.23Å; F43-G45 PolarHBondContact O-N 3.17Å; F43-S46 WeakPolarHBondContact CA-OG 3.36Å; F43-S46 PolarHBondContact O-N 2.96Å; F43-S46 PolarHBondContact O-OG 2.65Å; F43-Y47 WeakPolarHBondContact O-CB 3.3Å; F43-Y47 PolarHBondContact O-N 3.49Å |
| 44 | E | 97.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 173.3 | -79 | -174.3 | 131.2 | 0 | 0 | 111.6 | I40 A42 Y47 L48 R87 L88 F89 S90 | I40-E44 HydrophobicContact CG2-CG 4.26Å; I40-E44 WeakPolarHBondContact O-CB 3.29Å; I40-E44 VanDerWaalsContact O-CG 3.32Å; I40-E44 WeakPolarHBondContact O-CG 3.42Å; I40-E44 PolarHBondContact O-N 2.7Å; A42-E44 PolarHBondContact O-N 3.38Å; E44-Y47 PolarHBondContact O-N 3.18Å; E44-L48 WeakPolarHBondContact O-CB 3.33Å; E44-L48 VanDerWaalsContact O-CG 3.22Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.1Å; E44-R87 WeakPolarHBondContact OE1-CA 3.41Å; E44-R87 WeakPolarHBondContact OE2-CB 3.49Å; E44-L88 PolarHBondContact OE1-N 3.4Å; E44-F89 HydrophobicContact CG-CB 4.36Å; E44-F89 HydrophobicContact CG-CD2 4.13Å; E44-F89 VanDerWaalsContact OE1-CA 3.27Å; E44-F89 WeakPolarHBondContact OE1-CA 3.49Å; E44-F89 WeakPolarHBondContact OE1-CB 3.22Å; E44-F89 WeakPolarHBondContact OE1-CD2 3.38Å; E44-F89 PolarHBondContact OE1-N 3.05Å; E44-S90 PolarHBondContact OE1-N 3.17Å; E44-S90 VanDerWaalsContact OE1-N 3.12Å; E44-S90 WeakPolarHBondContact OE2-CB 3.25Å; E44-S90 PolarHBondContact OE2-N 3.27Å; E44-S90 PolarHBondContact OE2-OG 3.34Å |
| 45 | G | 96 | Very high | 95.5 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -55.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y41 A42 F43 Y47 L48 E49 R87 | Y41-G45 PolarHBondContact O-N 2.96Å; A42-G45 PolarHBondContact O-N 3.01Å; A42-G45 VanDerWaalsContact O-N 3.11Å; F43-G45 PolarHBondContact O-N 3.17Å; G45-Y47 VanDerWaalsContact C-N 3.34Å; G45-Y47 PolarHBondContact O-N 3.02Å; G45-L48 PolarHBondContact O-N 3.43Å; G45-E49 WeakPolarHBondContact O-CB 3.16Å; G45-E49 PolarHBondContact O-N 3.15Å; G45-E49 VanDerWaalsContact O-N 3.1Å; G45-R87 VanDerWaalsContact N-NH1 3.2Å |
| 46 | S | 96.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | A42 F43 L48 E49 D50 | A42-S46 PolarHBondContact O-N 3.12Å; F43-S46 WeakPolarHBondContact CA-OG 3.36Å; F43-S46 PolarHBondContact O-N 2.96Å; F43-S46 PolarHBondContact O-OG 2.65Å; S46-L48 PolarHBondContact O-N 3.07Å; S46-E49 PolarHBondContact O-N 3.38Å; S46-D50 WeakPolarHBondContact O-CB 3.39Å; S46-D50 VanDerWaalsContact O-CG 3.24Å; S46-D50 PolarHBondContact O-N 2.55Å |
| 47 | Y | 97.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | -178.6 | 176.6 | -99.7 | 0 | 0 | 0 | 112 | F43 E44 G45 T51 N56 I57 | F43-Y47 WeakPolarHBondContact O-CB 3.3Å; F43-Y47 PolarHBondContact O-N 3.49Å; E44-Y47 PolarHBondContact O-N 3.18Å; G45-Y47 VanDerWaalsContact C-N 3.34Å; G45-Y47 PolarHBondContact O-N 3.02Å; Y47-T51 HydrophobicContact CD2-CG2 3.87Å; Y47-T51 HydrophobicContact CE2-CG2 3.65Å; Y47-T51 HydrophobicContact CG-CG2 4.43Å; Y47-T51 VanDerWaalsContact O-CB 3.3Å; Y47-T51 WeakPolarHBondContact O-CB 3.48Å; Y47-T51 VanDerWaalsContact O-CG2 3.25Å; Y47-T51 WeakPolarHBondContact O-CG2 3.5Å; Y47-T51 PolarHBondContact O-N 3.22Å; Y47-T51 PolarHBondContact O-OG1 2.96Å; Y47-N56 HydrophobicContact CE1-CB 3.94Å; Y47-I57 HydrophobicContact CE1-CG2 4.05Å |
| 48 | L | 95.3 | Very high | 95 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.1 | -31.9 | -177.2 | -65.8 | 173.6 | 0 | 0 | 0 | 112.6 | E44 G45 S46 Q52 I58 F82 E86 R87 | E44-L48 WeakPolarHBondContact O-CB 3.33Å; E44-L48 VanDerWaalsContact O-CG 3.22Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.1Å; G45-L48 PolarHBondContact O-N 3.43Å; S46-L48 PolarHBondContact O-N 3.07Å; L48-Q52 WeakPolarHBondContact O-CB 3.43Å; L48-Q52 PolarHBondContact O-N 3.28Å; L48-I58 HydrophobicContact CD2-CB 4.42Å; L48-I58 HydrophobicContact CD2-CG1 3.57Å; L48-F82 HydrophobicContact CB-CD2 3.54Å; L48-F82 HydrophobicContact CB-CE2 4.03Å; L48-F82 HydrophobicContact CB-CG 4.37Å; L48-F82 HydrophobicContact CD1-CD2 3.62Å; L48-F82 HydrophobicContact CD1-CE2 3.33Å; L48-F82 HydrophobicContact CD1-CZ 4.49Å; L48-F82 HydrophobicContact CG-CD2 4.21Å; L48-F82 HydrophobicContact CG-CE2 4.3Å; L48-E86 HydrophobicContact CD1-CB 4.09Å; L48-R87 HydrophobicContact CD1-CG 4.49Å |
| 49 | E | 94.3 | Very high | 94.7 | Very high | 144 Ų | 144 | 66.2 Ų | 66.2 | 67% | 0.673 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66 | -51.3 | 172.7 | -175 | 163.2 | -153.2 | 0 | 0 | 111.4 | G45 S46 T51 | G45-E49 WeakPolarHBondContact O-CB 3.16Å; G45-E49 PolarHBondContact O-N 3.15Å; G45-E49 VanDerWaalsContact O-N 3.1Å; S46-E49 PolarHBondContact O-N 3.38Å; E49-T51 PolarHBondContact O-N 2.98Å |
| 50 | D | 94.4 | Very high | 94.4 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.4 | -35.7 | -174.7 | -69.8 | -21.1 | 0 | 0 | 0 | 113 | S46 | S46-D50 WeakPolarHBondContact O-CB 3.39Å; S46-D50 VanDerWaalsContact O-CG 3.24Å; S46-D50 PolarHBondContact O-N 2.55Å |
| 51 | T | 92.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 66 Ų | 66 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -91.7 | -6.2 | -172.6 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | Y47 E49 M53 Y54 G55 N56 | Y47-T51 HydrophobicContact CD2-CG2 3.87Å; Y47-T51 HydrophobicContact CE2-CG2 3.65Å; Y47-T51 HydrophobicContact CG-CG2 4.43Å; Y47-T51 VanDerWaalsContact O-CB 3.3Å; Y47-T51 WeakPolarHBondContact O-CB 3.48Å; Y47-T51 VanDerWaalsContact O-CG2 3.25Å; Y47-T51 WeakPolarHBondContact O-CG2 3.5Å; Y47-T51 PolarHBondContact O-N 3.22Å; Y47-T51 PolarHBondContact O-OG1 2.96Å; E49-T51 PolarHBondContact O-N 2.98Å; T51-M53 PolarHBondContact O-N 3.34Å; T51-Y54 PolarHBondContact O-N 3.41Å; T51-Y54 VanDerWaalsContact O-N 3.1Å; T51-G55 PolarHBondContact O-N 2.51Å; T51-N56 WeakPolarHBondContact OG1-CB 3.45Å; T51-N56 PolarHBondContact OG1-ND2 2.99Å |
| 52 | Q | 90.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -31.7 | -173.4 | -158.6 | -166.5 | -89.8 | 0 | 0 | 113.9 | L48 R80 | L48-Q52 WeakPolarHBondContact O-CB 3.43Å; L48-Q52 PolarHBondContact O-N 3.28Å; Q52-R80 WeakPolarHBondContact CG-O 3.45Å; Q52-R80 VanDerWaalsContact NE2-C 3.3Å; Q52-R80 PolarHBondContact NE2-O 3.41Å; Q52-R80 VanDerWaalsContact NE2-O 3.15Å; Q52-R80 PolarHBondContact OE1-O 3.43Å |
| 53 | M | 87.3 | Confident | 93.1 | Very high | 83 Ų | 83 | 67.6 Ų | 67.6 | 41% | 0.409 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.8 | -173.9 | -64 | -61.4 | -76.8 | 0 | 0 | 113.8 | T51 R63 N67 | T51-M53 PolarHBondContact O-N 3.34Å; M53-R63 WeakPolarHBondContact O-CD 3.32Å; M53-R63 PolarHBondContact O-NH1 3.39Å; M53-N67 PolarHBondContact O-ND2 2.98Å |
| 54 | Y | 88.9 | Confident | 92.6 | Very high | 140 Ų | 140 | 68.1 Ų | 68.1 | 55% | 0.549 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -22.8 | -175 | -50.8 | -68.9 | 0 | 0 | 0 | 112.2 | T51 R63 Y64 | T51-Y54 PolarHBondContact O-N 3.41Å; T51-Y54 VanDerWaalsContact O-N 3.1Å; Y54-R63 CarbonylContact O-C 3.41Å; Y54-Y64 WeakPolarHBondContact O-CA 3.41Å; Y54-Y64 VanDerWaalsContact O-CB 3.27Å; Y54-Y64 WeakPolarHBondContact O-CB 3.34Å; Y54-Y64 PolarHBondContact O-N 3.02Å |
| 55 | G | 91.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | trans | 105.9 | 156.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110 | T51 G60 W61 | T51-G55 PolarHBondContact O-N 2.51Å; G55-G60 CarbonylContact C-O 3.56Å; G55-G60 VanDerWaalsContact CA-O 3.27Å; G55-G60 WeakPolarHBondContact CA-O 3.16Å; G55-W61 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 56 | N | 94.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -158.3 | 178.2 | -174.8 | 62.4 | 31.7 | 0 | 0 | 0 | 111.3 | Y47 T51 I58 R59 G60 | Y47-N56 HydrophobicContact CE1-CB 3.94Å; T51-N56 WeakPolarHBondContact OG1-CB 3.45Å; T51-N56 PolarHBondContact OG1-ND2 2.99Å; N56-I58 PolarHBondContact O-N 3.41Å; N56-I58 VanDerWaalsContact O-N 3.17Å; N56-I58 WeakPolarHBondContact OD1-CB 3.3Å; N56-I58 PolarHBondContact OD1-N 2.93Å; N56-R59 PolarHBondContact O-N 3.4Å; N56-R59 PolarHBondContact OD1-N 3.29Å; N56-G60 PolarHBondContact N-O 2.86Å; N56-G60 VanDerWaalsContact N-O 3.07Å; N56-G60 CarbonylContact O-C 3.35Å; N56-G60 VanDerWaalsContact O-CA 3.26Å; N56-G60 WeakPolarHBondContact O-CA 3.44Å; N56-G60 PolarHBondContact O-N 3.09Å |
| 57 | I | 95.8 | Very high | 89.5 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 55% | 0.549 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.8 | -178.2 | -168.1 | 164.5 | 0 | 0 | 0 | 114 | Y47 | Y47-I57 HydrophobicContact CE1-CG2 4.05Š|
| 58 | I | 94.4 | Very high | 88 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -43 | -178.3 | -47.9 | -57.9 | 0 | 0 | 0 | 111.4 | L48 N56 E86 L88 | L48-I58 HydrophobicContact CD2-CB 4.42Å; L48-I58 HydrophobicContact CD2-CG1 3.57Å; N56-I58 PolarHBondContact O-N 3.41Å; N56-I58 VanDerWaalsContact O-N 3.17Å; N56-I58 WeakPolarHBondContact OD1-CB 3.3Å; N56-I58 PolarHBondContact OD1-N 2.93Å; I58-E86 HydrophobicContact CG2-CB 4.07Å; I58-E86 HydrophobicContact CG2-CG 4.31Å; I58-L88 HydrophobicContact CD1-CB 4.05Å; I58-L88 HydrophobicContact CD1-CD1 3.57Å; I58-L88 HydrophobicContact CD1-CG 3.79Å; I58-L88 HydrophobicContact CG2-CD1 4.47Å |
| 59 | R | 91.1 | Very high | 86.6 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 28% | 0.283 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -7.8 | -173.9 | -64.8 | -177.9 | 177.7 | 166.9 | -2.4 | 113.9 | N56 N79 R80 K81 E86 | N56-R59 PolarHBondContact O-N 3.4Å; N56-R59 PolarHBondContact OD1-N 3.29Å; R59-N79 PolarHBondContact NH1-O 3.09Å; R59-N79 PolarHBondContact NH2-O 3.1Å; R59-N79 VanDerWaalsContact NH2-O 3.11Å; R59-R80 PolarHBondContact NH1-O 2.7Å; R59-R80 PolarHBondContact NH2-O 3.11Å; R59-K81 PolarHBondContact NH2-O 2.84Å; R59-K81 VanDerWaalsContact NH2-O 3.09Å; R59-E86 IonicContact CZ-OE1 3.81Å; R59-E86 IonicContact CZ-OE2 3.54Å; R59-E86 IonicContact NE-OE1 3.48Å; R59-E86 PolarHBondContact NE-OE1 3.05Å; R59-E86 IonicContact NE-OE2 3.93Å; R59-E86 IonicContact NH2-OE1 2.8Å; R59-E86 PolarHBondContact NH2-OE1 3.22Å; R59-E86 IonicContact NH2-OE2 3.28Å; R59-E86 PolarHBondContact NH2-OE2 3.37Å |
| 60 | G | 92.6 | Very high | 84.8 | Confident | 26 Ų | 26 | 90.4 Ų | 90.4 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | 89.8 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G55 N56 | G55-G60 CarbonylContact C-O 3.56Å; G55-G60 VanDerWaalsContact CA-O 3.27Å; G55-G60 WeakPolarHBondContact CA-O 3.16Å; N56-G60 PolarHBondContact N-O 2.86Å; N56-G60 VanDerWaalsContact N-O 3.07Å; N56-G60 CarbonylContact O-C 3.35Å; N56-G60 VanDerWaalsContact O-CA 3.26Å; N56-G60 WeakPolarHBondContact O-CA 3.44Å; N56-G60 PolarHBondContact O-N 3.09Å |
| 61 | W | 93.6 | Very high | 83.1 | Confident | 139 Ų | 139 | 90.1 Ų | 90.1 | 53% | 0.527 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -102.4 | 7.8 | -176.2 | -62.4 | 104.2 | 0 | 0 | 0 | 113.6 | G55 R63 Y64 L65 | G55-W61 WeakPolarHBondContact O-CZ3 3.42Å; W61-R63 PolarHBondContact O-N 3.49Å; W61-Y64 VanDerWaalsContact O-CB 3.26Å; W61-Y64 WeakPolarHBondContact O-CB 3.43Å; W61-Y64 PolarHBondContact O-N 3.08Å; W61-L65 PolarHBondContact O-N 3.36Å |
| 62 | D | 86.6 | Confident | 81.4 | Confident | 117 Ų | 117 | 94 Ų | 94 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.6 | -40.2 | -179.4 | -64.3 | -47.9 | 0 | 0 | 0 | 111.7 | Y64 L65 T66 | D62-Y64 PolarHBondContact O-N 3.29Å; D62-L65 PolarHBondContact O-N 2.97Å; D62-L65 VanDerWaalsContact O-N 3.14Å; D62-T66 WeakPolarHBondContact O-CG2 3.27Å; D62-T66 PolarHBondContact O-N 3.4Å; D62-T66 PolarHBondContact O-OG1 2.79Å |
| 63 | R | 85 | Confident | 79.9 | Confident | 45 Ų | 45 | 95.8 Ų | 95.8 | 17% | 0.17 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.5 | -30.7 | 178.6 | -161.5 | 173.8 | -152.5 | -58.6 | -21.3 | 112.6 | M53 Y54 W61 T66 N67 D76 | M53-R63 WeakPolarHBondContact O-CD 3.32Å; M53-R63 PolarHBondContact O-NH1 3.39Å; Y54-R63 CarbonylContact O-C 3.41Å; W61-R63 PolarHBondContact O-N 3.49Å; R63-T66 WeakPolarHBondContact CA-OG1 3.23Å; R63-N67 PolarHBondContact NH1-ND2 2.9Å; R63-N67 VanDerWaalsContact NH1-ND2 3.18Å; R63-N67 PolarHBondContact NH1-OD1 2.7Å; R63-N67 WeakPolarHBondContact O-CB 3.4Å; R63-N67 VanDerWaalsContact O-CG 3.27Å; R63-N67 PolarHBondContact O-N 3.09Å; R63-D76 IonicContact CZ-OD2 3.43Å; R63-D76 IonicContact NE-OD2 3.29Å; R63-D76 PolarHBondContact NE-OD2 2.72Å; R63-D76 IonicContact NH2-OD2 2.75Å; R63-D76 PolarHBondContact NH2-OD2 3.18Å |
| 64 | Y | 87.9 | Confident | 78.5 | Confident | 148 Ų | 148 | 100.9 Ų | 100.9 | 58% | 0.58 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.9 | -41.2 | 177 | -177.1 | -106.1 | 0 | 0 | 0 | 110 | Y54 W61 D62 | Y54-Y64 WeakPolarHBondContact O-CA 3.41Å; Y54-Y64 VanDerWaalsContact O-CB 3.27Å; Y54-Y64 WeakPolarHBondContact O-CB 3.34Å; Y54-Y64 PolarHBondContact O-N 3.02Å; W61-Y64 VanDerWaalsContact O-CB 3.26Å; W61-Y64 WeakPolarHBondContact O-CB 3.43Å; W61-Y64 PolarHBondContact O-N 3.08Å; D62-Y64 PolarHBondContact O-N 3.29Å |
| 65 | L | 84.1 | Confident | 77 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72 | -37.6 | 177.1 | -58 | 177.1 | 0 | 0 | 0 | 112.4 | W61 D62 | W61-L65 PolarHBondContact O-N 3.36Å; D62-L65 PolarHBondContact O-N 2.97Å; D62-L65 VanDerWaalsContact O-N 3.14Å |
| 66 | T | 77.7 | Confident | 75.6 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -87.9 | -24.1 | -176.2 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | D62 R63 Q68 K69 | D62-T66 WeakPolarHBondContact O-CG2 3.27Å; D62-T66 PolarHBondContact O-N 3.4Å; D62-T66 PolarHBondContact O-OG1 2.79Å; R63-T66 WeakPolarHBondContact CA-OG1 3.23Å; T66-Q68 PolarHBondContact O-N 2.98Å; T66-Q68 VanDerWaalsContact O-N 3.11Å; T66-K69 CarbonylContact O-C 3.36Å; T66-K69 PolarHBondContact O-N 3.21Å |
| 67 | N | 64.8 | Low | 74 | Confident | 65 Ų | 65 | 111.3 Ų | 111.3 | 35% | 0.348 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.4 | -18.2 | 178.3 | -96.5 | -14.8 | 0 | 0 | 0 | 113 | M53 R63 K69 | M53-N67 PolarHBondContact O-ND2 2.98Å; R63-N67 PolarHBondContact NH1-ND2 2.9Å; R63-N67 VanDerWaalsContact NH1-ND2 3.18Å; R63-N67 PolarHBondContact NH1-OD1 2.7Å; R63-N67 WeakPolarHBondContact O-CB 3.4Å; R63-N67 VanDerWaalsContact O-CG 3.27Å; R63-N67 PolarHBondContact O-N 3.09Å; N67-K69 PolarHBondContact O-N 2.94Å |
| 68 | Q | 64.6 | Low | 72.5 | Confident | 179 Ų | 179 | 117 Ų | 117 | 84% | 0.836 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -21.4 | 169.8 | -73.7 | -155.4 | 17.5 | 0 | 0 | 113.3 | T66 | T66-Q68 PolarHBondContact O-N 2.98Å; T66-Q68 VanDerWaalsContact O-N 3.11Å |
| 69 | K | 66.6 | Low | 71 | Confident | 169 Ų | 169 | 119.2 Ų | 119.2 | 74% | 0.735 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -120.9 | 91.5 | -177.4 | -61.7 | 178.6 | -175.4 | 176.9 | 0 | 107.9 | T66 N67 S71 | T66-K69 CarbonylContact O-C 3.36Å; T66-K69 PolarHBondContact O-N 3.21Å; N67-K69 PolarHBondContact O-N 2.94Å; K69-S71 PolarHBondContact O-N 2.9Å |
| 70 | N | 56.2 | Low | 70.2 | Confident | 168 Ų | 168 | 118.1 Ų | 118.1 | 90% | 0.898 | 57% | 0.574 | S | S | * | * | trans | -41 | 62.6 | -177.2 | -99.2 | -3.3 | 0 | 0 | 0 | 117.4 | ||||
| 71 | S | 58.6 | Low | 69.7 | Low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -115.6 | 92.6 | 179.7 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | K69 S73 | K69-S71 PolarHBondContact O-N 2.9Å; S71-S73 PolarHBondContact O-N 3.33Å | ||
| 72 | N | 57.4 | Low | 69.3 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | trans | -96.4 | 92.5 | -173.6 | -142.8 | -1.8 | 0 | 0 | 0 | 109 | R80 | N72-R80 PolarHBondContact OD1-NH2 3.4Š| ||
| 73 | S | 57.9 | Low | 69.5 | Low | 78 Ų | 78 | 120.8 Ų | 120.8 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | trans | -77.4 | 138.1 | 177.9 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | S71 N75 D76 | S71-S73 PolarHBondContact O-N 3.33Å; S73-N75 PolarHBondContact O-N 3.4Å; S73-D76 PolarHBondContact O-N 3.25Å | ||
| 74 | K | 58.4 | Low | 69.9 | Low | 190 Ų | 190 | 123.4 Ų | 123.4 | 83% | 0.826 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -15.7 | -171.8 | -80.8 | 175.4 | 177.1 | 168.2 | 0 | 115.3 | ||
| 75 | N | 57.3 | Low | 70.1 | Confident | 146 Ų | 146 | 119.2 Ų | 119.2 | 78% | 0.781 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -21.2 | 178.9 | -108.7 | 5.5 | 0 | 0 | 0 | 113.6 | S73 R77 | S73-N75 PolarHBondContact O-N 3.4Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 2.63Å |
| 76 | D | 62 | Low | 70.6 | Confident | 43 Ų | 43 | 114.9 Ų | 114.9 | 23% | 0.23 | 56% | 0.563 | C | S | . | * | G | 310 helix | trans | -70.4 | -25.4 | -175.3 | -171.6 | 28.1 | 0 | 0 | 0 | 113.1 | R63 S73 R78 N79 R80 | R63-D76 IonicContact CZ-OD2 3.43Å; R63-D76 IonicContact NE-OD2 3.29Å; R63-D76 PolarHBondContact NE-OD2 2.72Å; R63-D76 IonicContact NH2-OD2 2.75Å; R63-D76 PolarHBondContact NH2-OD2 3.18Å; S73-D76 PolarHBondContact O-N 3.25Å; D76-R78 VanDerWaalsContact C-N 3.35Å; D76-R78 PolarHBondContact O-N 2.99Å; D76-N79 PolarHBondContact O-N 3.41Å; D76-R80 WeakPolarHBondContact O-CG 3.44Å; D76-R80 PolarHBondContact O-N 3.12Å; D76-R80 IonicContact OD2-CZ 2.96Å; D76-R80 IonicContact OD2-NE 3.2Å; D76-R80 PolarHBondContact OD2-NE 3.23Å; D76-R80 IonicContact OD2-NH2 3.28Å; D76-R80 PolarHBondContact OD2-NH2 3.46Å |
| 77 | R | 61.9 | Low | 71.6 | Confident | 179 Ų | 179 | 111.8 Ų | 111.8 | 68% | 0.675 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -63.9 | -33.8 | -173.2 | -74.4 | -176.4 | -179.3 | 171.5 | -1.6 | 114.4 | N75 | N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 2.63Å |
| 78 | R | 64.2 | Low | 73.1 | Confident | 228 Ų | 228 | 113.4 Ų | 113.4 | 86% | 0.86 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -83 | -22 | -179.9 | -61.6 | -176.2 | -161.6 | 172 | 4.9 | 112.6 | D76 R80 | D76-R78 VanDerWaalsContact C-N 3.35Å; D76-R78 PolarHBondContact O-N 2.99Å; R78-R80 VanDerWaalsContact C-N 3.3Å |
| 79 | N | 63.3 | Low | 74.7 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -89.3 | 5.1 | 177.3 | -109.4 | 42.6 | 0 | 0 | 0 | 113 | R59 D76 | R59-N79 PolarHBondContact NH1-O 3.09Å; R59-N79 PolarHBondContact NH2-O 3.1Å; R59-N79 VanDerWaalsContact NH2-O 3.11Å; D76-N79 PolarHBondContact O-N 3.41Å |
| 80 | R | 73.4 | Confident | 76.2 | Confident | 52 Ų | 52 | 102.4 Ų | 102.4 | 20% | 0.196 | 50% | 0.501 | C | S | . | . | trans | -72.1 | -60 | 179.5 | -86.6 | 175.8 | -163.1 | -170.5 | 8.3 | 111.3 | Q52 R59 N72 D76 R78 F82 | Q52-R80 WeakPolarHBondContact CG-O 3.45Å; Q52-R80 VanDerWaalsContact NE2-C 3.3Å; Q52-R80 PolarHBondContact NE2-O 3.41Å; Q52-R80 VanDerWaalsContact NE2-O 3.15Å; Q52-R80 PolarHBondContact OE1-O 3.43Å; R59-R80 PolarHBondContact NH1-O 2.7Å; R59-R80 PolarHBondContact NH2-O 3.11Å; N72-R80 PolarHBondContact OD1-NH2 3.4Å; D76-R80 WeakPolarHBondContact O-CG 3.44Å; D76-R80 PolarHBondContact O-N 3.12Å; D76-R80 IonicContact OD2-CZ 2.96Å; D76-R80 IonicContact OD2-NE 3.2Å; D76-R80 PolarHBondContact OD2-NE 3.23Å; D76-R80 IonicContact OD2-NH2 3.28Å; D76-R80 PolarHBondContact OD2-NH2 3.46Å; R78-R80 VanDerWaalsContact C-N 3.3Å; R80-F82 PolarHBondContact O-N 3.26Å | ||
| 81 | K | 81.9 | Confident | 78.1 | Confident | 168 Ų | 168 | 100.3 Ų | 100.3 | 73% | 0.73 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -52.6 | 133.5 | -170.2 | -59 | -174 | 179.2 | -171.2 | 0 | 113.4 | R59 | R59-K81 PolarHBondContact NH2-O 2.84Å; R59-K81 VanDerWaalsContact NH2-O 3.09Å |
| 82 | F | 86 | Confident | 80 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 28% | 0.276 | 48% | 0.48 | S | S | . | . | trans | -50.4 | 136.4 | 167.2 | 164.1 | -110.3 | 0 | 0 | 0 | 110.8 | L48 R80 R87 | L48-F82 HydrophobicContact CB-CD2 3.54Å; L48-F82 HydrophobicContact CB-CE2 4.03Å; L48-F82 HydrophobicContact CB-CG 4.37Å; L48-F82 HydrophobicContact CD1-CD2 3.62Å; L48-F82 HydrophobicContact CD1-CE2 3.33Å; L48-F82 HydrophobicContact CD1-CZ 4.49Å; L48-F82 HydrophobicContact CG-CD2 4.21Å; L48-F82 HydrophobicContact CG-CE2 4.3Å; R80-F82 PolarHBondContact O-N 3.26Å; F82-R87 HydrophobicContact CE2-CG 4.05Å; F82-R87 HydrophobicContact CZ-CG 3.94Å | ||
| 83 | K | 91.3 | Very high | 81.9 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 47% | 0.465 | 47% | 0.465 | S | S | . | . | trans | -122.5 | 143.7 | 174.7 | -65.3 | 177.2 | -177.4 | 172.7 | 0 | 110 | A85 E86 | K83-A85 PolarHBondContact O-N 2.87Å; K83-E86 HydrophobicContact CB-CG 4.18Å; K83-E86 PolarHBondContact N-OE2 3.11Å; K83-E86 VanDerWaalsContact O-CB 3.3Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.12Å | ||
| 84 | E | 92.4 | Very high | 83.8 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -54.7 | -29.3 | 174.4 | -167.7 | 57.1 | -152.9 | 0 | 0 | 112.8 | Y41 E86 R87 | Y41-E84 VanDerWaalsContact CE2-OE1 3.29Å; Y41-E84 WeakPolarHBondContact CE2-OE1 3.48Å; Y41-E84 PolarHBondContact OH-OE1 3.39Å; Y41-E84 PolarHBondContact OH-OE2 3.26Å; E84-E86 PolarHBondContact O-N 3.27Å; E84-E86 VanDerWaalsContact O-N 3.15Å; E84-R87 PolarHBondContact O-N 2.87Å; E84-R87 WeakPolarHBondContact OE1-CD 3.01Å; E84-R87 IonicContact OE1-NE 3.65Å; E84-R87 PolarHBondContact OE1-NE 3.2Å; E84-R87 IonicContact OE2-CZ 2.7Å; E84-R87 IonicContact OE2-NE 3.66Å; E84-R87 PolarHBondContact OE2-NE 3.46Å |
| 85 | A | 92.8 | Very high | 85.6 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 50% | 0.504 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -62.8 | -20.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K83 K91 | K83-A85 PolarHBondContact O-N 2.87Å; A85-K91 VanDerWaalsContact CA-NZ 3.28Å; A85-K91 WeakPolarHBondContact O-CE 3.27Å; A85-K91 PolarHBondContact O-NZ 2.84Å |
| 86 | E | 94.8 | Very high | 87.5 | Confident | 28 Ų | 28 | 87.1 Ų | 87.1 | 13% | 0.131 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -87.2 | -4.3 | -172.8 | -64 | 177.4 | 155.5 | 0 | 0 | 113.7 | L48 I58 R59 K83 E84 L88 | L48-E86 HydrophobicContact CD1-CB 4.09Å; I58-E86 HydrophobicContact CG2-CB 4.07Å; I58-E86 HydrophobicContact CG2-CG 4.31Å; R59-E86 IonicContact CZ-OE1 3.81Å; R59-E86 IonicContact CZ-OE2 3.54Å; R59-E86 IonicContact NE-OE1 3.48Å; R59-E86 PolarHBondContact NE-OE1 3.05Å; R59-E86 IonicContact NE-OE2 3.93Å; R59-E86 IonicContact NH2-OE1 2.8Å; R59-E86 PolarHBondContact NH2-OE1 3.22Å; R59-E86 IonicContact NH2-OE2 3.28Å; R59-E86 PolarHBondContact NH2-OE2 3.37Å; K83-E86 HydrophobicContact CB-CG 4.18Å; K83-E86 PolarHBondContact N-OE2 3.11Å; K83-E86 VanDerWaalsContact O-CB 3.3Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.12Å; E84-E86 PolarHBondContact O-N 3.27Å; E84-E86 VanDerWaalsContact O-N 3.15Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.7Å |
| 87 | R | 96.8 | Very high | 89 | Confident | 17 Ų | 17 | 88.2 Ų | 88.2 | 6% | 0.064 | 44% | 0.441 | C | S | . | . | trans | -76 | 68.6 | 176.8 | -66.6 | -174.8 | -178.8 | -78.6 | 0.1 | 112.7 | Y41 E44 G45 L48 F82 E84 F89 K91 | Y41-R87 VanDerWaalsContact CE2-CD 3.4Å; Y41-R87 VanDerWaalsContact CE2-NE 3.28Å; Y41-R87 PolarHBondContact O-NH1 2.97Å; E44-R87 WeakPolarHBondContact OE1-CA 3.41Å; E44-R87 WeakPolarHBondContact OE2-CB 3.49Å; G45-R87 VanDerWaalsContact N-NH1 3.2Å; L48-R87 HydrophobicContact CD1-CG 4.49Å; F82-R87 HydrophobicContact CE2-CG 4.05Å; F82-R87 HydrophobicContact CZ-CG 3.94Å; E84-R87 PolarHBondContact O-N 2.87Å; E84-R87 WeakPolarHBondContact OE1-CD 3.01Å; E84-R87 IonicContact OE1-NE 3.65Å; E84-R87 PolarHBondContact OE1-NE 3.2Å; E84-R87 IonicContact OE2-CZ 2.7Å; E84-R87 IonicContact OE2-NE 3.66Å; E84-R87 PolarHBondContact OE2-NE 3.46Å; R87-F89 VanDerWaalsContact C-N 3.34Å; R87-F89 PolarHBondContact O-N 2.77Å; R87-K91 VanDerWaalsContact O-CB 3.25Å; R87-K91 WeakPolarHBondContact O-CB 3.49Å; R87-K91 WeakPolarHBondContact O-CG 3.26Å; R87-K91 PolarHBondContact O-N 3.29Å | ||
| 88 | L | 97.3 | Very high | 90.6 | Very high | 98 Ų | 98 | 82.9 Ų | 82.9 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.6 | -173.3 | -70.8 | -176.8 | 0 | 0 | 0 | 113.9 | E44 I58 E86 S92 | E44-L88 PolarHBondContact OE1-N 3.4Å; I58-L88 HydrophobicContact CD1-CB 4.05Å; I58-L88 HydrophobicContact CD1-CD1 3.57Å; I58-L88 HydrophobicContact CD1-CG 3.79Å; I58-L88 HydrophobicContact CG2-CD1 4.47Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.7Å; L88-S92 PolarHBondContact O-N 3.15Å; L88-S92 VanDerWaalsContact O-N 3.07Å |
| 89 | F | 97.8 | Very high | 92 | Very high | 111 Ų | 111 | 72.4 Ų | 72.4 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -45.6 | -179.8 | -56.8 | -81.4 | 0 | 0 | 0 | 110.8 | I40 E44 R87 K91 S92 | I40-F89 HydrophobicContact CG2-CB 3.68Å; E44-F89 HydrophobicContact CG-CB 4.36Å; E44-F89 HydrophobicContact CG-CD2 4.13Å; E44-F89 VanDerWaalsContact OE1-CA 3.27Å; E44-F89 WeakPolarHBondContact OE1-CA 3.49Å; E44-F89 WeakPolarHBondContact OE1-CB 3.22Å; E44-F89 WeakPolarHBondContact OE1-CD2 3.38Å; E44-F89 PolarHBondContact OE1-N 3.05Å; R87-F89 VanDerWaalsContact C-N 3.34Å; R87-F89 PolarHBondContact O-N 2.77Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.84Å; F89-S92 WeakPolarHBondContact O-CB 3.38Å; F89-S92 PolarHBondContact O-N 3.06Å; F89-S92 VanDerWaalsContact O-N 3.1Å; F89-S92 PolarHBondContact O-OG 2.97Å |
| 90 | S | 97.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 5% | 0.049 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -60.2 | -41.9 | 173.1 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | Y41 E44 S92 S93 S96 | Y41-S90 WeakPolarHBondContact CA-OG 3.2Å; E44-S90 PolarHBondContact OE1-N 3.17Å; E44-S90 VanDerWaalsContact OE1-N 3.12Å; E44-S90 WeakPolarHBondContact OE2-CB 3.25Å; E44-S90 PolarHBondContact OE2-N 3.27Å; E44-S90 PolarHBondContact OE2-OG 3.34Å; S90-S92 PolarHBondContact O-N 3.47Å; S90-S93 PolarHBondContact O-N 3.42Å; S90-S93 VanDerWaalsContact O-O 3.12Å; S90-S96 VanDerWaalsContact O-CB 3.24Å; S90-S96 WeakPolarHBondContact O-CB 3.37Å; S90-S96 PolarHBondContact O-OG 2.98Å |
| 91 | K | 97.3 | Very high | 94.1 | Very high | 123 Ų | 123 | 70 Ų | 70 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -69 | -12.5 | 178 | -73.3 | 177.6 | 166.5 | -148.1 | 0 | 114.8 | A85 R87 F89 S93 | A85-K91 VanDerWaalsContact CA-NZ 3.28Å; A85-K91 WeakPolarHBondContact O-CE 3.27Å; A85-K91 PolarHBondContact O-NZ 2.84Å; R87-K91 VanDerWaalsContact O-CB 3.25Å; R87-K91 WeakPolarHBondContact O-CB 3.49Å; R87-K91 WeakPolarHBondContact O-CG 3.26Å; R87-K91 PolarHBondContact O-N 3.29Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.84Å; K91-S93 VanDerWaalsContact C-N 3.26Å |
| 92 | S | 97.4 | Very high | 94 | Very high | 99 Ų | 99 | 65 Ų | 65 | 69% | 0.692 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -77.8 | -15.5 | 175 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | L88 F89 S90 | L88-S92 PolarHBondContact O-N 3.15Å; L88-S92 VanDerWaalsContact O-N 3.07Å; F89-S92 WeakPolarHBondContact O-CB 3.38Å; F89-S92 PolarHBondContact O-N 3.06Å; F89-S92 VanDerWaalsContact O-N 3.1Å; F89-S92 PolarHBondContact O-OG 2.97Å; S90-S92 PolarHBondContact O-N 3.47Å |
| 93 | S | 97.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | trans | -110.2 | 129.5 | 173.4 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | E37 S90 K91 T95 S96 | E37-S93 WeakPolarHBondContact OE1-CB 3.32Å; E37-S93 PolarHBondContact OE1-OG 2.96Å; S90-S93 PolarHBondContact O-N 3.42Å; S90-S93 VanDerWaalsContact O-O 3.12Å; K91-S93 VanDerWaalsContact C-N 3.26Å; S93-T95 PolarHBondContact O-N 3.06Å; S93-T95 PolarHBondContact OG-N 3.46Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-S96 PolarHBondContact O-OG 3.15Å | ||
| 94 | V | 97.8 | Very high | 91.9 | Very high | 146 Ų | 146 | 66.7 Ų | 66.7 | 89% | 0.885 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.5 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 95 | T | 97.1 | Very high | 90 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.1 | -178.8 | 40.9 | 0 | 0 | 0 | 0 | 113.5 | E37 S93 A97 A98 A99 | E37-T95 WeakPolarHBondContact OE1-CB 3.19Å; E37-T95 PolarHBondContact OE1-OG1 2.86Å; E37-T95 PolarHBondContact OE2-OG1 2.92Å; S93-T95 PolarHBondContact O-N 3.06Å; S93-T95 PolarHBondContact OG-N 3.46Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; T95-A97 PolarHBondContact O-N 3.07Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-A99 PolarHBondContact O-N 3.29Å |
| 96 | S | 96.1 | Very high | 87.9 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.2 | -44.2 | -173.9 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | E37 S90 S93 A98 A99 V100 | E37-S96 PolarHBondContact OE1-N 3.01Å; S90-S96 VanDerWaalsContact O-CB 3.24Å; S90-S96 WeakPolarHBondContact O-CB 3.37Å; S90-S96 PolarHBondContact O-OG 2.98Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-S96 PolarHBondContact O-OG 3.15Å; S96-A98 VanDerWaalsContact C-N 3.31Å; S96-A98 PolarHBondContact O-N 2.8Å; S96-A99 PolarHBondContact O-N 3.19Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 3.26Å |
| 97 | A | 94.8 | Very high | 85.6 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T95 S101 | T95-A97 PolarHBondContact O-N 3.07Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.79Å; A97-S101 PolarHBondContact O-OG 3.33Å |
| 98 | A | 94.9 | Very high | 83.1 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.5 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | T95 S96 V100 S101 A102 | T95-A98 PolarHBondContact O-N 2.99Å; S96-A98 VanDerWaalsContact C-N 3.31Å; S96-A98 PolarHBondContact O-N 2.8Å; A98-V100 VanDerWaalsContact C-N 3.3Å; A98-V100 PolarHBondContact O-N 3.28Å; A98-S101 PolarHBondContact O-N 2.75Å; A98-A102 WeakPolarHBondContact O-CB 3.12Å; A98-A102 PolarHBondContact O-N 3.07Å |
| 99 | A | 92.8 | Very high | 80.6 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 7% | 0.066 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A34 E37 R38 T95 S96 | A34-A99 HydrophobicContact CB-CB 4.21Å; E37-A99 HydrophobicContact CB-CB 4.02Å; E37-A99 WeakPolarHBondContact OE2-CB 3.26Å; R38-A99 WeakPolarHBondContact CD-O 3.38Å; R38-A99 WeakPolarHBondContact CG-O 3.27Å; R38-A99 PolarHBondContact NH1-O 2.98Å; T95-A99 PolarHBondContact O-N 3.29Å; S96-A99 PolarHBondContact O-N 3.19Å |
| 100 | V | 91.1 | Very high | 78.3 | Confident | 29 Ų | 29 | 85 Ų | 85 | 18% | 0.176 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -78.5 | -41.7 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | Y41 S96 A98 A102 L103 A104 | Y41-V100 HydrophobicContact CD1-CG1 4.02Å; Y41-V100 HydrophobicContact CD1-CG2 4.02Å; Y41-V100 HydrophobicContact CD2-CG1 4.49Å; Y41-V100 HydrophobicContact CD2-CG2 3.8Å; Y41-V100 HydrophobicContact CE1-CG1 3.91Å; Y41-V100 HydrophobicContact CE2-CG1 4.38Å; Y41-V100 HydrophobicContact CE2-CG2 4.42Å; Y41-V100 HydrophobicContact CG-CG1 4.32Å; Y41-V100 HydrophobicContact CG-CG2 3.57Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 3.26Å; A98-V100 VanDerWaalsContact C-N 3.3Å; A98-V100 PolarHBondContact O-N 3.28Å; V100-A102 VanDerWaalsContact C-N 3.32Å; V100-A102 PolarHBondContact O-N 2.77Å; V100-L103 WeakPolarHBondContact O-CB 3.21Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.12Å; V100-A104 PolarHBondContact O-N 3.1Å |
| 101 | S | 90.1 | Very high | 76 | Confident | 65 Ų | 65 | 91.5 Ų | 91.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.7 | -36.7 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | A97 A98 L103 A104 | A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.79Å; A97-S101 PolarHBondContact O-OG 3.33Å; A98-S101 PolarHBondContact O-N 2.75Å; S101-L103 PolarHBondContact O-N 2.62Å; S101-A104 PolarHBondContact O-N 3.23Å |
| 102 | A | 79.8 | Confident | 73.3 | Confident | 62 Ų | 62 | 94.5 Ų | 94.5 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | -28.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | A98 V100 | A98-A102 WeakPolarHBondContact O-CB 3.12Å; A98-A102 PolarHBondContact O-N 3.07Å; V100-A102 VanDerWaalsContact C-N 3.32Å; V100-A102 PolarHBondContact O-N 2.77Å |
| 103 | L | 70.2 | Confident | 70.7 | Confident | 126 Ų | 126 | 97.2 Ų | 97.2 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -34.1 | 175.1 | -171.7 | 71.5 | 0 | 0 | 0 | 112.2 | V100 S101 G105 | V100-L103 WeakPolarHBondContact O-CB 3.21Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.12Å; S101-L103 PolarHBondContact O-N 2.62Å; L103-G105 PolarHBondContact O-N 3.05Å |
| 104 | A | 63 | Low | 68.2 | Low | 80 Ų | 80 | 107.8 Ų | 107.8 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 7.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V100 S101 | V100-A104 PolarHBondContact O-N 3.1Å; S101-A104 PolarHBondContact O-N 3.23Å |
| 105 | G | 53.3 | Low | 65.4 | Low | 62 Ų | 62 | 107 Ų | 107 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.5 | 15.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L103 Q107 | L103-G105 PolarHBondContact O-N 3.05Å; G105-Q107 PolarHBondContact O-N 3.47Å |
| 106 | V | 48.4 | Very low | 63.1 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 67% | 0.667 | 61% | 0.607 | S | S | * | * | trans | -81.4 | 69.3 | 167.1 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | D108 | V106-D108 PolarHBondContact O-N 3.49Š| ||
| 107 | Q | 46.3 | Very low | 60.2 | Low | 162 Ų | 162 | 112.8 Ų | 112.8 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | trans | -84.4 | 84.8 | 163.4 | -171.8 | 81.5 | 8.8 | 0 | 0 | 106.9 | G105 | G105-Q107 PolarHBondContact O-N 3.47Š| ||
| 108 | D | 43.8 | Very low | 57.7 | Low | 133 Ų | 133 | 115.8 Ų | 115.8 | 71% | 0.711 | 66% | 0.658 | S | S | * | * | trans | -144.5 | 107.7 | 159 | -138.8 | 18 | 0 | 0 | 0 | 110.6 | V106 | V106-D108 PolarHBondContact O-N 3.49Š| ||
| 109 | Q | 46.3 | Very low | 55 | Low | 161 Ų | 161 | 116.2 Ų | 116.2 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | trans | 72.1 | 65.9 | 145.3 | -52.4 | -97.8 | 51.7 | 0 | 0 | 118.8 | ||||
| 110 | L | 48.7 | Very low | 52.6 | Low | 170 Ų | 170 | 121.6 Ų | 121.6 | 89% | 0.89 | 70% | 0.701 | S | S | * | * | trans | -133.7 | 48 | 146.7 | -154 | 107.6 | 0 | 0 | 0 | 112.1 | ||||
| 111 | I | 48.5 | Very low | 50.6 | Low | 144 Ų | 144 | 129.3 Ų | 129.3 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | -108.8 | 73 | 151 | -59.9 | 170.3 | 0 | 0 | 0 | 104.5 | K113 | I111-K113 PolarHBondContact O-N 2.85Å; I111-K113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | E | 41.9 | Very low | 48.5 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -69.3 | 110 | 164.6 | -142.6 | -173.9 | -149.2 | 0 | 0 | 106.6 | R114 | E112-R114 PolarHBondContact O-N 3.19Š| ||
| 113 | K | 43.1 | Very low | 47 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 68% | 0.683 | 76% | 0.764 | S | S | * | * | trans | -43.3 | 106.3 | 172.9 | -67.3 | 169.1 | 133.8 | -115.5 | 0 | 110.6 | I111 E115 | I111-K113 PolarHBondContact O-N 2.85Å; I111-K113 VanDerWaalsContact O-N 3.11Å; K113-E115 VanDerWaalsContact C-N 3.26Å; K113-E115 HydrophobicContact CB-CG 4.4Å; K113-E115 IonicContact NZ-OE1 2.75Å; K113-E115 PolarHBondContact NZ-OE1 2.95Å; K113-E115 PolarHBondContact O-N 3.3Å; K113-E115 VanDerWaalsContact O-N 3.13Å | ||
| 114 | R | 44.5 | Very low | 45.6 | Very low | 256 Ų | 256 | 136.2 Ų | 136.2 | 97% | 0.966 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 89.4 | 150.7 | -96.1 | -169.7 | 178.2 | -164.3 | -0.4 | 107.5 | E112 | E112-R114 PolarHBondContact O-N 3.19Š| ||
| 115 | E | 38.3 | Very low | 44.8 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | trans | -53.8 | 142 | 166.8 | -72.4 | -72.6 | 143.8 | 0 | 0 | 110.8 | K113 | K113-E115 VanDerWaalsContact C-N 3.26Å; K113-E115 HydrophobicContact CB-CG 4.4Å; K113-E115 IonicContact NZ-OE1 2.75Å; K113-E115 PolarHBondContact NZ-OE1 2.95Å; K113-E115 PolarHBondContact O-N 3.3Å; K113-E115 VanDerWaalsContact O-N 3.13Å | ||
| 116 | P | 48.3 | Very low | 44.7 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -85.1 | 115.9 | 173.2 | 32.6 | -27.9 | 0 | 0 | 0 | 110.6 | ||||
| 117 | G | 35.5 | Very low | 44.1 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 84.4 | 112.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 118 | S | 42.3 | Very low | 44 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 171.8 | 115.8 | 130.8 | -174 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 119 | G | 39.2 | Very low | 44.1 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -167.1 | 76.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E121 | G119-E121 PolarHBondContact O-N 2.83Š| ||
| 120 | T | 42.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -43.8 | 126.4 | 170.4 | 35.5 | 0 | 0 | 0 | 0 | 112.4 | S122 | T120-S122 PolarHBondContact O-N 3.19Š| ||
| 121 | E | 47.2 | Very low | 43.4 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -47.6 | 120.3 | 157.1 | 58.2 | -151 | 126.6 | 0 | 0 | 111 | G119 | G119-E121 PolarHBondContact O-N 2.83Š| ||
| 122 | S | 47.4 | Very low | 42.9 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -153 | 108.3 | 154.1 | 35 | 0 | 0 | 0 | 0 | 109.4 | T120 | T120-S122 PolarHBondContact O-N 3.19Š| ||
| 123 | D | 48.5 | Very low | 42.6 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -39 | 135.1 | 159.9 | -142.3 | -15 | 0 | 0 | 0 | 112.3 | ||||
| 124 | T | 41 | Very low | 42.5 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 175.5 | 94.7 | 148.4 | 26.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 125 | S | 45.3 | Very low | 42.5 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 156.2 | 145 | -66.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 126 | P | 52.1 | Low | 42.4 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -134.5 | -178.7 | 48 | 34.2 | -10.8 | 0 | 0 | 0 | 111.1 | ||||
| 127 | D | 35.7 | Very low | 42 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | cis | -171 | 145.6 | 43.2 | -172.9 | 23.9 | 0 | 0 | 0 | 108.6 | ||||
| 128 | F | 44.3 | Very low | 42.1 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -83.8 | 126.5 | 175.2 | -81.9 | -99.3 | 0 | 0 | 0 | 108.9 | ||||
| 129 | H | 44.6 | Very low | 42 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -117.8 | 93.7 | 160 | -134 | 71.9 | 0 | 0 | 0 | 110.5 | ||||
| 130 | N | 39.1 | Very low | 42.8 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | -58.6 | 130.8 | 156.8 | -90.7 | -22.8 | 0 | 0 | 0 | 109.5 | ||||
| 131 | Q | 41.5 | Very low | 42.7 | Very low | 178 Ų | 178 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -126.1 | 102.5 | 149.2 | -81.5 | -174 | 28.9 | 0 | 0 | 107.8 | ||||
| 132 | E | 37.5 | Very low | 42.6 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -94.5 | 154.8 | 162.1 | -72.2 | -173.3 | 142.9 | 0 | 0 | 109.9 | ||||
| 133 | N | 36.8 | Very low | 42.3 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 72.2 | 141.8 | 158.5 | -81.8 | 13.4 | 0 | 0 | 0 | 119.2 | ||||
| 134 | E | 41.1 | Very low | 41.6 | Very low | 148 Ų | 148 | 148 Ų | 148 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | cis | -166.3 | 163.1 | 4.6 | -111.2 | -92.7 | 130.8 | 0 | 0 | 107.2 | ||||
| 135 | P | 44.9 | Very low | 41.4 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | -86.6 | 138.7 | 173.6 | 33.2 | -23.9 | 0 | 0 | 0 | 111.4 | ||||
| 136 | S | 35.6 | Very low | 41.1 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -115.9 | 122.8 | 172.4 | -54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | Q | 39.2 | Very low | 40.5 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 156.3 | 165.9 | -66.1 | 176.2 | -57.3 | 0 | 0 | 111.1 | ||||
| 138 | E | 38.2 | Very low | 40.6 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 173.4 | 97.6 | 131.9 | -92.8 | 174.7 | -156.3 | 0 | 0 | 110.2 | ||||
| 139 | D | 39.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | 41.4 | 162.4 | 116.7 | -82.8 | -7.7 | 0 | 0 | 0 | 122.6 | |||||
| 140 | P | 56.2 | Low | 39.9 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -146.4 | -178.7 | -1.7 | 39.5 | -17.2 | 0 | 0 | 0 | 118.7 | ||||
| 141 | E | 41.2 | Very low | 40 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | trans | 70.6 | 118.1 | 151 | -48.7 | -136.5 | 164.5 | 0 | 0 | 123.4 | ||||
| 142 | D | 44.5 | Very low | 40.2 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | -164.8 | 121.4 | 110.1 | -92.5 | -31.8 | 0 | 0 | 0 | 113.3 | |||||
| 143 | L | 41.3 | Very low | 40.4 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -12.7 | 152.5 | 166.1 | -76.9 | 139.2 | 0 | 0 | 0 | 125.5 | ||||
| 144 | D | 34.9 | Very low | 40.4 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 79.9 | 128.6 | 145.4 | -154.6 | 38.3 | 0 | 0 | 0 | 118.1 | ||||
| 145 | G | 35.6 | Very low | 40.4 | Very low | 58 Ų | 58 | 143.8 Ų | 143.8 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | cis | 169.7 | 167.8 | 6.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 146 | S | 39.7 | Very low | 40 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 77.7 | 111.1 | 162 | -153.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 147 | V | 39.1 | Very low | 40.2 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -59.1 | 169.9 | 160.8 | -77.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 148 | Q | 37 | Very low | 40.2 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 97.9 | 134.4 | 163.6 | -56.4 | 177.4 | 3.1 | 0 | 0 | 114.8 | ||||
| 149 | G | 35.8 | Very low | 40.2 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | cis | 171.5 | 144.5 | 8.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 150 | V | 39.3 | Very low | 40.1 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | trans | -53.7 | 141.8 | 176.5 | -95.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 151 | K | 40.2 | Very low | 39.2 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | 179.1 | 151 | 112.4 | -105.2 | 178.7 | 175.1 | 168.8 | 0 | 115.1 | |||||
| 152 | P | 47.6 | Very low | 38.9 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -99.7 | 157.9 | 177.3 | 38.3 | -29.9 | 0 | 0 | 0 | 112.9 | ||||
| 153 | Q | 40.6 | Very low | 38.7 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -142.4 | 118.7 | 168.8 | -71.1 | -158.7 | -63.2 | 0 | 0 | 115.4 | ||||
| 154 | K | 37.3 | Very low | 38.8 | Very low | 209 Ų | 209 | 130.7 Ų | 130.7 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 31.1 | 142.1 | 138.6 | -83.6 | -173.5 | 174.7 | -175.8 | 0 | 124.2 | ||||
| 155 | A | 41.1 | Very low | 39.2 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -71.7 | 153.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 156 | A | 36 | Very low | 39.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -175 | 158.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 157 | S | 41.2 | Very low | 39.8 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -84 | 168.9 | -169.5 | 50 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 158 | S | 37.5 | Very low | 40.6 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | 109.7 | 117.2 | 141.1 | 74.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 159 | T | 38.3 | Very low | 41.4 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | 40.8 | 120.7 | 136.1 | 60.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 160 | S | 37.3 | Very low | 42.2 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | -177.5 | 144.4 | 118.2 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 161 | S | 38.6 | Very low | 43.3 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -0.9 | 140.8 | 158.3 | 55 | 0 | 0 | 0 | 0 | 122 | ||||
| 162 | G | 34.8 | Very low | 44 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 175 | 80 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 163 | S | 39.7 | Very low | 44.2 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -73 | 134.8 | 168.7 | -174 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 164 | H | 43.8 | Very low | 45.2 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -169.2 | 160.5 | 151.2 | -88.1 | -59.7 | 0 | 0 | 0 | 112.4 | ||||
| 165 | H | 43.1 | Very low | 45.7 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -85.7 | 157.1 | -148.8 | -50 | -75.8 | 0 | 0 | 0 | 116.6 | ||||
| 166 | S | 45.5 | Very low | 46.1 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -162.7 | 110.6 | 140.5 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 167 | S | 42.8 | Very low | 46.8 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 122.6 | 171.8 | 44 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 168 | H | 54.4 | Low | 47.1 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -119.5 | 132.1 | 169.1 | -106.3 | 18.6 | 0 | 0 | 0 | 113.1 | ||||
| 169 | K | 54.8 | Low | 47.9 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -74.9 | 145.4 | -156.1 | -71.4 | 173.6 | 177.9 | 171 | 0 | 112.2 | R171 | K169-R171 PolarHBondContact O-N 3.14Š| ||
| 170 | K | 53 | Low | 48.1 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -41.9 | 128.7 | 167.8 | -63.2 | -173.5 | 176.6 | -179.2 | 0 | 112.4 | ||||
| 171 | R | 61.3 | Low | 48.4 | Very low | 245 Ų | 245 | 150 Ų | 150 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -109.1 | 109.8 | 151 | -69.1 | -176.5 | 73.3 | -177.1 | 2.1 | 108.3 | K169 | K169-R171 PolarHBondContact O-N 3.14Š| ||
| 172 | K | 56.5 | Low | 49.1 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -84.5 | 103.6 | 177.3 | -166.1 | -179.6 | -168.7 | 175.9 | 0 | 106.7 | K174 | K172-K174 HydrophobicContact CD-CG 4.49Å; K172-K174 HydrophobicContact CG-CG 4.17Å | ||
| 173 | N | 50.8 | Low | 49.6 | Very low | 156 Ų | 156 | 156.2 Ų | 156.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -94.4 | 105 | 166.5 | -164.3 | 13.6 | 0 | 0 | 0 | 108.5 | ||||
| 174 | K | 61.4 | Low | 49.7 | Very low | 147 Ų | 147 | 158.1 Ų | 158.1 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | -94.1 | 113.5 | 168.6 | -58.3 | 175.9 | -171.5 | 165.7 | 0 | 105.8 | K172 | K172-K174 HydrophobicContact CD-CG 4.49Å; K172-K174 HydrophobicContact CG-CG 4.17Å | ||
| 175 | N | 48.3 | Very low | 49.5 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -149.6 | 87 | 146.1 | -109.9 | 20.7 | 0 | 0 | 0 | 107.8 | ||||
| 176 | R | 48.7 | Very low | 49.5 | Very low | 239 Ų | 239 | 159.6 Ų | 159.6 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 121.1 | 158.6 | -76.2 | 175.2 | 171.6 | 177.5 | -5.3 | 106.3 | ||||
| 177 | H | 50.6 | Low | 49.4 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -129.3 | 102.4 | 148.9 | -87.9 | 80.3 | 0 | 0 | 0 | 105.8 | ||||
| 178 | S | 47.3 | Very low | 49.4 | Very low | 114 Ų | 114 | 165.4 Ų | 165.4 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -110.4 | 113.3 | 164.8 | -176.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 179 | P | 53.9 | Low | 49.1 | Very low | 119 Ų | 119 | 161.3 Ų | 161.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -88 | 128.8 | 153.9 | 22.4 | -9.6 | 0 | 0 | 0 | 108.9 | ||||
| 180 | S | 43.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 157.6 Ų | 157.6 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -60.5 | 149.8 | 166.6 | 51.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 181 | G | 45 | Very low | 48.7 | Very low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 144 | 96.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 182 | M | 53 | Low | 48.3 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | cis | 48 | 115.3 | 40.6 | -150 | 84.1 | 129.2 | 0 | 0 | 111.5 | ||||
| 183 | F | 44 | Very low | 48.3 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | trans | 81.4 | 116.7 | -175.5 | -46.3 | -67.6 | 0 | 0 | 0 | 111.6 | ||||
| 184 | D | 43.3 | Very low | 48.2 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | -149.8 | 148.5 | 26.1 | -75.3 | -50.3 | 0 | 0 | 0 | 113.5 | ||||
| 185 | Y | 39.4 | Very low | 47.9 | Very low | 221 Ų | 221 | 151 Ų | 151 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -84.1 | 103.6 | 165.9 | -117.6 | -98.6 | 0 | 0 | 0 | 107 | ||||
| 186 | D | 41.9 | Very low | 48.8 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -100.4 | 91.3 | 163.7 | -90.4 | -21.3 | 0 | 0 | 0 | 109.7 | E188 | D186-E188 VanDerWaalsContact C-N 3.26Å; D186-E188 PolarHBondContact O-N 2.9Å | ||
| 187 | F | 43.3 | Very low | 49.5 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -80.9 | 70.8 | 166.5 | -171.5 | -101.2 | 0 | 0 | 0 | 108.4 | I189 | F187-I189 HydrophobicContact CD1-CD1 4.07Å; F187-I189 HydrophobicContact CD1-CG1 3.92Å; F187-I189 HydrophobicContact CE1-CD1 3.19Å; F187-I189 HydrophobicContact CE1-CG1 3.53Å; F187-I189 HydrophobicContact CE2-CD1 4.37Å; F187-I189 HydrophobicContact CE2-CG1 4.39Å; F187-I189 HydrophobicContact CZ-CD1 3.39Å; F187-I189 HydrophobicContact CZ-CG1 3.81Å; F187-I189 PolarHBondContact O-N 2.9Å | ||
| 188 | E | 42.3 | Very low | 49.6 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -89.8 | 88.3 | 165.1 | -91.4 | -176.1 | 162.8 | 0 | 0 | 109.6 | D186 D190 | D186-E188 VanDerWaalsContact C-N 3.26Å; D186-E188 PolarHBondContact O-N 2.9Å; E188-D190 VanDerWaalsContact C-N 3.34Å; E188-D190 PolarHBondContact O-N 3.33Å | ||
| 189 | I | 48.3 | Very low | 50 | Low | 100 Ų | 100 | 148.8 Ų | 148.8 | 51% | 0.513 | 76% | 0.761 | S | S | . | * | trans | -59.7 | 97.4 | 153.7 | -66 | -173.3 | 0 | 0 | 0 | 107.2 | F187 L191 | F187-I189 HydrophobicContact CD1-CD1 4.07Å; F187-I189 HydrophobicContact CD1-CG1 3.92Å; F187-I189 HydrophobicContact CE1-CD1 3.19Å; F187-I189 HydrophobicContact CE1-CG1 3.53Å; F187-I189 HydrophobicContact CE2-CD1 4.37Å; F187-I189 HydrophobicContact CE2-CG1 4.39Å; F187-I189 HydrophobicContact CZ-CD1 3.39Å; F187-I189 HydrophobicContact CZ-CG1 3.81Å; F187-I189 PolarHBondContact O-N 2.9Å; I189-L191 HydrophobicContact CG2-CB 3.85Å; I189-L191 HydrophobicContact CG2-CD1 3.33Å; I189-L191 HydrophobicContact CG2-CG 4.16Å; I189-L191 PolarHBondContact O-N 3.18Å | ||
| 190 | D | 48.8 | Very low | 50 | Low | 119 Ų | 119 | 150.6 Ų | 150.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -82.9 | 73.4 | 164.5 | -158.7 | 17.2 | 0 | 0 | 0 | 109 | E188 K192 | E188-D190 VanDerWaalsContact C-N 3.34Å; E188-D190 PolarHBondContact O-N 3.33Å; D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.7Å; D190-K192 IonicContact OD2-NZ 3.75Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å | ||
| 191 | L | 50.8 | Low | 50.6 | Low | 126 Ų | 126 | 159.3 Ų | 159.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 85.3 | 165.1 | -123.5 | 80.5 | 0 | 0 | 0 | 107.1 | I189 L193 | I189-L191 HydrophobicContact CG2-CB 3.85Å; I189-L191 HydrophobicContact CG2-CD1 3.33Å; I189-L191 HydrophobicContact CG2-CG 4.16Å; I189-L191 PolarHBondContact O-N 3.18Å; L191-L193 PolarHBondContact O-N 2.97Å | ||
| 192 | K | 54.3 | Low | 50.9 | Low | 173 Ų | 173 | 163.9 Ų | 163.9 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 82 | 163.9 | -79.5 | -171.7 | 173.8 | 77.9 | 0 | 109.2 | D190 N194 | D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.7Å; D190-K192 IonicContact OD2-NZ 3.75Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å; K192-N194 PolarHBondContact O-N 2.63Å | ||
| 193 | L | 54.6 | Low | 50.8 | Low | 140 Ų | 140 | 164.2 Ų | 164.2 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -59 | 115.8 | 164.6 | -95.5 | 159 | 0 | 0 | 0 | 108.8 | L191 K195 | L191-L193 PolarHBondContact O-N 2.97Å; L193-K195 PolarHBondContact O-N 3.4Å | ||
| 194 | N | 48.9 | Very low | 51.1 | Low | 146 Ų | 146 | 163.6 Ų | 163.6 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 91.5 | 175.6 | -146.8 | -4.4 | 0 | 0 | 0 | 109.2 | K192 K196 | K192-N194 PolarHBondContact O-N 2.63Å; N194-K196 PolarHBondContact O-N 3.11Å; N194-K196 VanDerWaalsContact O-N 3.15Å | ||
| 195 | K | 55.7 | Low | 51.6 | Low | 198 Ų | 198 | 164.8 Ų | 164.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -74.3 | 97.6 | 169.8 | -81.6 | -178.5 | 177.7 | 176 | 0 | 108.8 | L193 | L193-K195 PolarHBondContact O-N 3.4Š| ||
| 196 | K | 68.1 | Low | 52.4 | Low | 179 Ų | 179 | 161.3 Ų | 161.3 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.6 | 161.1 | -67.6 | -175.1 | 179 | -177.4 | 0 | 109 | N194 | N194-K196 PolarHBondContact O-N 3.11Å; N194-K196 VanDerWaalsContact O-N 3.15Å |
| 197 | P | 63.7 | Low | 53.1 | Low | 127 Ų | 127 | 161.9 Ų | 161.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 141.3 | 173.1 | 27.5 | -31.5 | 0 | 0 | 0 | 111.1 | ||
| 198 | R | 51.7 | Low | 53.8 | Low | 235 Ų | 235 | 162.1 Ų | 162.1 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.7 | 174.3 | -179.5 | 174.2 | 173.4 | 157.8 | -3.4 | 109.3 | ||
| 199 | A | 55.6 | Low | 54.6 | Low | 86 Ų | 86 | 160.9 Ų | 160.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 200 | D | 55.3 | Low | 55.2 | Low | 158 Ų | 158 | 166 Ų | 166 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.4 | 166.2 | -62.8 | -43.9 | 0 | 0 | 0 | 109.3 | ||
| 201 | Y | 54.7 | Low | 55.8 | Low | 305 Ų | 305 | 170.3 Ų | 170.3 | 100% | 1.196 | 82% | 0.821 | S | S | * | * | trans | -116 | 0 | 163.4 | -112.9 | -79.2 | 0 | 0 | 0 | 107.5 |
Retrieved 201 of 201 residues in 26.8 ms
(Link to these results)