| 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 | 42.8 | Very low | 52.9 | Low | 223 Ų | 223 | 138.5 Ų | 138.5 | 100% | 1.099 | 82% | 0.824 | S | S | * | * | 0 | 81.1 | 0 | 29.7 | -179.8 | 150.6 | 0 | 0 | 109.4 | |||||
| 2 | F | 45.5 | Very low | 55.4 | Low | 213 Ų | 213 | 132.7 Ų | 132.7 | 93% | 0.934 | 80% | 0.795 | S | S | * | * | trans | -158.4 | 120.1 | 159.3 | -71 | -67 | 0 | 0 | 0 | 107.2 | ||||
| 3 | A | 47.1 | Very low | 58 | Low | 107 Ų | 107 | 132.4 Ų | 132.4 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 124.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G5 | A3-G5 PolarHBondContact O-N 2.87Š|
| 4 | K | 46.7 | Very low | 60.2 | Low | 212 Ų | 212 | 125.6 Ų | 125.6 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.6 | 176.2 | -167.8 | 167.2 | 178.8 | 175.4 | 0 | 109.3 | ||
| 5 | G | 49 | Very low | 62.3 | Low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 142.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | A3 G7 | A3-G5 PolarHBondContact O-N 2.87Å; G5-G7 PolarHBondContact O-N 2.92Å |
| 6 | K | 52.7 | Low | 64.2 | Low | 214 Ų | 214 | 119.9 Ų | 119.9 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 124.4 | 166.9 | -84.3 | 171.2 | 170.3 | 173.4 | 0 | 109.1 | S8 | K6-S8 PolarHBondContact O-N 3.37Š|
| 7 | G | 48.3 | Very low | 65.9 | Low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 131.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G5 A9 | G5-G7 PolarHBondContact O-N 2.92Å; G7-A9 PolarHBondContact O-N 3.4Å |
| 8 | S | 51.5 | Low | 67.4 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | trans | -63.9 | 79.6 | 160 | 167.5 | 0 | 0 | 0 | 0 | 108.1 | K6 V10 | K6-S8 PolarHBondContact O-N 3.37Å; S8-V10 PolarHBondContact O-N 3.11Å | ||
| 9 | A | 59.4 | Low | 68.8 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -71.6 | 114.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | G7 | G7-A9 PolarHBondContact O-N 3.4Š| ||
| 10 | V | 66 | Low | 70.1 | Confident | 127 Ų | 127 | 120.1 Ų | 120.1 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 129.9 | 166.8 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | S8 S12 | S8-V10 PolarHBondContact O-N 3.11Å; V10-S12 PolarHBondContact O-N 2.87Å |
| 11 | P | 73.2 | Confident | 71.3 | Confident | 78 Ų | 78 | 115 Ų | 115 | 51% | 0.506 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 133.3 | 178.7 | 23.9 | -32.9 | 0 | 0 | 0 | 108.7 | Q15 | P11-Q15 HydrophobicContact CB-CB 4.42Š|
| 12 | S | 83.1 | Confident | 73.8 | Confident | 68 Ų | 68 | 105.4 Ų | 105.4 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 150.7 | 172.8 | 63.7 | 0 | 0 | 0 | 0 | 109.5 | V10 G14 Q15 A16 | V10-S12 PolarHBondContact O-N 2.87Å; S12-G14 PolarHBondContact O-N 3.13Å; S12-Q15 PolarHBondContact O-N 3.44Å; S12-A16 PolarHBondContact O-N 2.79Å; S12-A16 VanDerWaalsContact O-N 3.07Å |
| 13 | D | 88.5 | Confident | 76.2 | Confident | 129 Ų | 129 | 98.1 Ų | 98.1 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -51.8 | -32.9 | 177.3 | -73.8 | -59.9 | 0 | 0 | 0 | 112.6 | A16 R17 | D13-A16 PolarHBondContact O-N 2.85Å; D13-R17 WeakPolarHBondContact O-CB 3.44Å; D13-R17 VanDerWaalsContact O-CG 3.22Å; D13-R17 WeakPolarHBondContact O-CG 3.5Å; D13-R17 PolarHBondContact O-N 3.36Å |
| 14 | G | 89.7 | Confident | 78.6 | Confident | 38 Ų | 38 | 94.9 Ų | 94.9 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S12 R17 E18 | S12-G14 PolarHBondContact O-N 3.13Å; G14-R17 PolarHBondContact O-N 3.45Å; G14-E18 VanDerWaalsContact O-CG 3.3Å; G14-E18 WeakPolarHBondContact O-CG 3.45Å; G14-E18 PolarHBondContact O-N 3.41Å |
| 15 | Q | 90.5 | Very high | 80.9 | Confident | 113 Ų | 113 | 86.4 Ų | 86.4 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.3 | -70.3 | -178.8 | -1.9 | 0 | 0 | 112 | P11 S12 E18 K19 | P11-Q15 HydrophobicContact CB-CB 4.42Å; S12-Q15 PolarHBondContact O-N 3.44Å; Q15-E18 PolarHBondContact O-N 3.38Å; Q15-K19 WeakPolarHBondContact O-CG 3.43Å; Q15-K19 PolarHBondContact O-N 3.47Å |
| 16 | A | 92.7 | Very high | 83.2 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | S12 D13 K19 L20 | S12-A16 PolarHBondContact O-N 2.79Å; S12-A16 VanDerWaalsContact O-N 3.07Å; D13-A16 PolarHBondContact O-N 2.85Å; A16-K19 PolarHBondContact O-N 2.97Å; A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 PolarHBondContact O-N 3.43Å |
| 17 | R | 93.1 | Very high | 85.3 | Confident | 189 Ų | 189 | 77.8 Ų | 77.8 | 71% | 0.713 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 175.9 | -74 | 173.7 | -177.8 | -159.7 | 0.6 | 112.5 | D13 G14 L20 A21 | D13-R17 WeakPolarHBondContact O-CB 3.44Å; D13-R17 VanDerWaalsContact O-CG 3.22Å; D13-R17 WeakPolarHBondContact O-CG 3.5Å; D13-R17 PolarHBondContact O-N 3.36Å; G14-R17 PolarHBondContact O-N 3.45Å; R17-L20 PolarHBondContact O-N 3.26Å; R17-A21 WeakPolarHBondContact O-CB 3.48Å; R17-A21 PolarHBondContact O-N 2.94Å |
| 18 | E | 93.2 | Very high | 87.6 | Confident | 77 Ų | 77 | 76 Ų | 76 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.1 | -72.5 | 176.1 | 175 | 0 | 0 | 112 | G14 Q15 A21 L22 W46 K48 | G14-E18 VanDerWaalsContact O-CG 3.3Å; G14-E18 WeakPolarHBondContact O-CG 3.45Å; G14-E18 PolarHBondContact O-N 3.41Å; Q15-E18 PolarHBondContact O-N 3.38Å; E18-A21 PolarHBondContact O-N 3.28Å; E18-L22 PolarHBondContact O-N 2.99Å; E18-W46 HydrophobicContact CB-CH2 4.27Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 VanDerWaalsContact O-CH2 3.24Å; E18-W46 WeakPolarHBondContact O-CH2 3.1Å; E18-K48 IonicContact OE1-NZ 2.67Å; E18-K48 PolarHBondContact OE1-NZ 3.36Å; E18-K48 IonicContact OE2-NZ 4Å; E18-K48 PolarHBondContact OE2-NZ 3.16Å |
| 19 | K | 93.7 | Very high | 89.6 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.7 | -73 | -66.8 | -174.5 | 179.5 | 0 | 111.9 | Q15 A16 L22 Y23 | Q15-K19 WeakPolarHBondContact O-CG 3.43Å; Q15-K19 PolarHBondContact O-N 3.47Å; A16-K19 PolarHBondContact O-N 2.97Å; K19-L22 WeakPolarHBondContact O-CB 3.42Å; K19-L22 PolarHBondContact O-N 3.05Å; K19-Y23 HydrophobicContact CB-CE2 4.25Å; K19-Y23 WeakPolarHBondContact O-CD2 3.43Å; K19-Y23 PolarHBondContact O-N 3.23Å |
| 20 | L | 95.4 | Very high | 91.3 | Very high | 98 Ų | 98 | 69.6 Ų | 69.6 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.3 | -179.7 | 61.5 | 0 | 0 | 0 | 111.2 | A16 R17 L22 Y23 V24 | A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 PolarHBondContact O-N 3.43Å; R17-L20 PolarHBondContact O-N 3.26Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L20-L22 PolarHBondContact O-N 3.29Å; L20-Y23 PolarHBondContact O-N 3.27Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.38Å; L20-V24 WeakPolarHBondContact O-CG2 3.45Å; L20-V24 PolarHBondContact O-N 3.29Å |
| 21 | A | 96.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 67.2 Ų | 67.2 | 12% | 0.116 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R17 E18 Y23 V24 Y25 F40 I44 W46 | R17-A21 WeakPolarHBondContact O-CB 3.48Å; R17-A21 PolarHBondContact O-N 2.94Å; E18-A21 PolarHBondContact O-N 3.28Å; A21-Y23 PolarHBondContact O-N 3.05Å; A21-V24 PolarHBondContact O-N 3.5Å; A21-Y25 PolarHBondContact O-N 3.26Å; A21-F40 HydrophobicContact CB-CE1 4.27Å; A21-F40 HydrophobicContact CB-CZ 4.05Å; A21-F40 WeakPolarHBondContact O-CE1 3.5Å; A21-I44 HydrophobicContact CB-CD1 3.96Å; A21-W46 HydrophobicContact CB-CE3 4.29Å; A21-W46 HydrophobicContact CB-CZ3 3.78Å |
| 22 | L | 95.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 174.4 | -176.4 | 79.2 | 0 | 0 | 0 | 111.8 | E18 K19 L20 Y25 E26 W46 I50 | E18-L22 PolarHBondContact O-N 2.99Å; K19-L22 WeakPolarHBondContact O-CB 3.42Å; K19-L22 PolarHBondContact O-N 3.05Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L20-L22 PolarHBondContact O-N 3.29Å; L22-Y25 WeakPolarHBondContact O-CB 3.49Å; L22-Y25 PolarHBondContact O-N 3.43Å; L22-E26 PolarHBondContact O-N 3.24Å; L22-W46 HydrophobicContact CB-CH2 4.32Å; L22-W46 HydrophobicContact CB-CZ2 4.39Å; L22-W46 HydrophobicContact CD1-CZ2 4.17Å; L22-I50 HydrophobicContact CD1-CB 4.4Å; L22-I50 HydrophobicContact CD1-CG1 4.33Å; L22-I50 HydrophobicContact CD1-CG2 3.93Å |
| 23 | Y | 95.7 | Very high | 94.3 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.1 | -30.2 | -178.3 | -62.3 | -46 | 0 | 0 | 0 | 113.4 | K19 L20 A21 Y27 F58 | K19-Y23 HydrophobicContact CB-CE2 4.25Å; K19-Y23 WeakPolarHBondContact O-CD2 3.43Å; K19-Y23 PolarHBondContact O-N 3.23Å; L20-Y23 PolarHBondContact O-N 3.27Å; A21-Y23 PolarHBondContact O-N 3.05Å; Y23-Y27 WeakPolarHBondContact O-CB 3.47Å; Y23-Y27 PolarHBondContact O-N 3.47Å; Y23-F58 HydrophobicContact CD1-CB 3.75Å; Y23-F58 AromaticContact CD1-CD1 3.89Å; Y23-F58 HydrophobicContact CD1-CD1 3.89Å; Y23-F58 HydrophobicContact CD1-CG 4.11Å; Y23-F58 AromaticContact CD2-CD1 3.6Å; Y23-F58 HydrophobicContact CD2-CD1 3.6Å; Y23-F58 HydrophobicContact CD2-CE1 4.01Å; Y23-F58 HydrophobicContact CE1-CB 3.72Å; Y23-F58 AromaticContact CE1-CD1 3.77Å; Y23-F58 HydrophobicContact CE1-CD1 3.77Å; Y23-F58 AromaticContact CE1-CG 3.8Å; Y23-F58 HydrophobicContact CE1-CG 3.8Å; Y23-F58 AromaticContact CE2-CD1 3.45Å; Y23-F58 HydrophobicContact CE2-CD1 3.45Å; Y23-F58 VanDerWaalsContact CE2-CD1 3.45Å; Y23-F58 AromaticContact CE2-CE1 3.62Å; Y23-F58 HydrophobicContact CE2-CE1 3.62Å; Y23-F58 HydrophobicContact CE2-CG 4.26Å; Y23-F58 HydrophobicContact CG-CB 4.4Å; Y23-F58 AromaticContact CG-CD1 3.82Å; Y23-F58 HydrophobicContact CG-CD1 3.82Å; Y23-F58 HydrophobicContact CG-CG 4.49Å; Y23-F58 AromaticContact CZ-CD1 3.54Å; Y23-F58 AromaticContact CZ-CE1 3.96Å; Y23-F58 AromaticContact CZ-CG 3.87Å |
| 24 | V | 96.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 24% | 0.242 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 171 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | L20 A21 Y27 L28 F40 L59 | L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.38Å; L20-V24 WeakPolarHBondContact O-CG2 3.45Å; L20-V24 PolarHBondContact O-N 3.29Å; A21-V24 PolarHBondContact O-N 3.5Å; V24-Y27 PolarHBondContact O-N 3.43Å; V24-L28 HydrophobicContact CG1-CD1 4.2Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.19Å; V24-F40 HydrophobicContact CB-CE1 4.22Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.04Å; V24-F40 HydrophobicContact CG1-CE2 4.45Å; V24-F40 HydrophobicContact CG1-CZ 4Å; V24-L59 HydrophobicContact CG2-CD2 3.92Å |
| 25 | Y | 96.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.1 | 173.4 | -100.8 | 0 | 0 | 0 | 112 | A21 L22 Y27 L28 L29 A37 L41 I50 L52 | A21-Y25 PolarHBondContact O-N 3.26Å; L22-Y25 WeakPolarHBondContact O-CB 3.49Å; L22-Y25 PolarHBondContact O-N 3.43Å; Y25-Y27 VanDerWaalsContact C-N 3.33Å; Y25-Y27 PolarHBondContact O-N 3.01Å; Y25-L28 PolarHBondContact O-N 3.43Å; Y25-L29 HydrophobicContact CD1-CD1 4.08Å; Y25-L29 HydrophobicContact CE1-CD1 3.34Å; Y25-L29 HydrophobicContact CE1-CG 4.09Å; Y25-L29 HydrophobicContact CE2-CD1 4.26Å; Y25-L29 HydrophobicContact CE2-CD2 4.37Å; Y25-L29 HydrophobicContact CE2-CG 4.23Å; Y25-L29 VanDerWaalsContact CZ-CD1 3.48Å; Y25-L29 PolarHBondContact O-N 2.97Å; Y25-A37 HydrophobicContact CD2-CB 3.79Å; Y25-A37 WeakPolarHBondContact CD2-O 3.33Å; Y25-A37 HydrophobicContact CE2-CB 3.65Å; Y25-A37 WeakPolarHBondContact CE2-O 3.23Å; Y25-L41 HydrophobicContact CD2-CD1 3.65Å; Y25-L41 HydrophobicContact CD2-CD2 3.76Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.35Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.28Å; Y25-L41 HydrophobicContact CE2-CG 3.64Å; Y25-L41 HydrophobicContact CG-CD1 4.32Å; Y25-L41 HydrophobicContact CG-CD2 3.96Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CD1 4Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CD1 3.73Å; Y25-I50 HydrophobicContact CE1-CG2 3.63Å; Y25-L52 HydrophobicContact CD1-CD2 4Å; Y25-L52 HydrophobicContact CE1-CD2 3.89Å |
| 26 | E | 95.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 174.8 | 179 | -178 | -109 | 0 | 0 | 111.5 | L22 L28 L29 H30 L52 G53 G57 F58 | L22-E26 PolarHBondContact O-N 3.24Å; E26-L28 PolarHBondContact O-N 3.2Å; E26-L29 PolarHBondContact O-N 3.27Å; E26-H30 VanDerWaalsContact CG-CE1 3.45Å; E26-H30 WeakPolarHBondContact CG-CE1 3.37Å; E26-H30 PolarHBondContact O-N 3.49Å; E26-L52 HydrophobicContact CB-CD2 4.1Å; E26-L52 HydrophobicContact CG-CD2 4.29Å; E26-G53 WeakPolarHBondContact OE1-CA 3.47Å; E26-G53 PolarHBondContact OE1-N 2.94Å; E26-G57 WeakPolarHBondContact OE2-CA 3.31Å; E26-F58 PolarHBondContact OE2-N 2.96Å |
| 27 | Y | 96.7 | Very high | 95.4 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 176 | 170 | -102.7 | 0 | 0 | 0 | 112.1 | Y23 V24 Y25 L29 H30 V31 L59 H60 | Y23-Y27 WeakPolarHBondContact O-CB 3.47Å; Y23-Y27 PolarHBondContact O-N 3.47Å; V24-Y27 PolarHBondContact O-N 3.43Å; Y25-Y27 VanDerWaalsContact C-N 3.33Å; Y25-Y27 PolarHBondContact O-N 3.01Å; Y27-L29 VanDerWaalsContact C-N 3.25Å; Y27-L29 PolarHBondContact O-N 3.2Å; Y27-H30 PolarHBondContact O-N 2.96Å; Y27-H30 VanDerWaalsContact O-N 3.16Å; Y27-V31 HydrophobicContact CD2-CG1 3.86Å; Y27-V31 HydrophobicContact CE1-CG1 4.26Å; Y27-V31 HydrophobicContact CE1-CG2 4.4Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.47Å; Y27-V31 WeakPolarHBondContact O-CG1 3.49Å; Y27-V31 WeakPolarHBondContact O-CG2 3.4Å; Y27-V31 PolarHBondContact O-N 3.24Å; Y27-L59 HydrophobicContact CG-CD2 4.37Å; Y27-H60 HydrophobicContact CD2-CB 4.36Å |
| 28 | L | 96.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 179.1 | -72.1 | 171.5 | 0 | 0 | 0 | 111.9 | V24 Y25 E26 V31 A33 A37 F40 | V24-L28 HydrophobicContact CG1-CD1 4.2Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.19Å; Y25-L28 PolarHBondContact O-N 3.43Å; E26-L28 PolarHBondContact O-N 3.2Å; L28-V31 WeakPolarHBondContact O-CG2 3.36Å; L28-A33 HydrophobicContact CB-CB 4.47Å; L28-A33 HydrophobicContact CD2-CB 4.07Å; L28-A33 CarbonylContact O-C 3.54Å; L28-A33 WeakPolarHBondContact O-CA 3.37Å; L28-A33 WeakPolarHBondContact O-CB 3.5Å; L28-A33 PolarHBondContact O-N 3.45Å; L28-A37 HydrophobicContact CB-CB 3.77Å; L28-A37 HydrophobicContact CD1-CB 4.5Å; L28-F40 HydrophobicContact CD1-CB 4.18Å; L28-F40 HydrophobicContact CD1-CD1 4.46Å; L28-F40 HydrophobicContact CD1-CG 4.36Å |
| 29 | L | 94.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 174.7 | -70.6 | -178.3 | 0 | 0 | 0 | 112.3 | Y25 E26 Y27 V31 G32 Q34 A37 L52 | Y25-L29 HydrophobicContact CD1-CD1 4.08Å; Y25-L29 HydrophobicContact CE1-CD1 3.34Å; Y25-L29 HydrophobicContact CE1-CG 4.09Å; Y25-L29 HydrophobicContact CE2-CD1 4.26Å; Y25-L29 HydrophobicContact CE2-CD2 4.37Å; Y25-L29 HydrophobicContact CE2-CG 4.23Å; Y25-L29 VanDerWaalsContact CZ-CD1 3.48Å; Y25-L29 PolarHBondContact O-N 2.97Å; E26-L29 PolarHBondContact O-N 3.27Å; Y27-L29 VanDerWaalsContact C-N 3.25Å; Y27-L29 PolarHBondContact O-N 3.2Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.41Å; L29-G32 PolarHBondContact O-N 3.06Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.31Å; L29-Q34 PolarHBondContact O-NE2 3.46Å; L29-A37 HydrophobicContact CD2-CB 3.7Å; L29-A37 HydrophobicContact CG-CB 4.07Å; L29-L52 HydrophobicContact CD1-CD1 3.39Å; L29-L52 HydrophobicContact CD1-CD2 3.84Å; L29-L52 HydrophobicContact CD1-CG 4.26Å |
| 30 | H | 94.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 58.1 Ų | 58.1 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -32.1 | -177.6 | -70.5 | 165.5 | 0 | 0 | 0 | 113.3 | E26 Y27 G32 G53 P56 G57 | E26-H30 VanDerWaalsContact CG-CE1 3.45Å; E26-H30 WeakPolarHBondContact CG-CE1 3.37Å; E26-H30 PolarHBondContact O-N 3.49Å; Y27-H30 PolarHBondContact O-N 2.96Å; Y27-H30 VanDerWaalsContact O-N 3.16Å; H30-G32 PolarHBondContact O-N 2.9Å; H30-G53 PolarHBondContact CE1-O 3.41Å; H30-G53 PolarHBondContact NE2-O 2.87Å; H30-P56 VanDerWaalsContact ND1-C 3.29Å; H30-P56 PolarHBondContact ND1-O 3.47Å; H30-G57 WeakPolarHBondContact ND1-CA 3.42Å; H30-G57 PolarHBondContact ND1-N 3.35Å |
| 31 | V | 95.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 54.8 Ų | 54.8 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 0.6 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | Y27 L28 L29 A33 | Y27-V31 HydrophobicContact CD2-CG1 3.86Å; Y27-V31 HydrophobicContact CE1-CG1 4.26Å; Y27-V31 HydrophobicContact CE1-CG2 4.4Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.47Å; Y27-V31 WeakPolarHBondContact O-CG1 3.49Å; Y27-V31 WeakPolarHBondContact O-CG2 3.4Å; Y27-V31 PolarHBondContact O-N 3.24Å; L28-V31 WeakPolarHBondContact O-CG2 3.36Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.41Å; V31-A33 HydrophobicContact CG2-CB 4Å |
| 32 | G | 94.4 | Very high | 95.8 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 6.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L29 H30 Q34 | L29-G32 PolarHBondContact O-N 3.06Å; H30-G32 PolarHBondContact O-N 2.9Å; G32-Q34 PolarHBondContact O-N 3.41Å |
| 33 | A | 95.9 | Very high | 95.9 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | trans | -81.2 | 54.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L28 V31 K35 S36 A37 | L28-A33 HydrophobicContact CB-CB 4.47Å; L28-A33 HydrophobicContact CD2-CB 4.07Å; L28-A33 CarbonylContact O-C 3.54Å; L28-A33 WeakPolarHBondContact O-CA 3.37Å; L28-A33 WeakPolarHBondContact O-CB 3.5Å; L28-A33 PolarHBondContact O-N 3.45Å; V31-A33 HydrophobicContact CG2-CB 4Å; A33-K35 PolarHBondContact O-N 3.48Å; A33-S36 PolarHBondContact O-N 3.31Å; A33-A37 PolarHBondContact O-N 2.67Å | ||
| 34 | Q | 94.7 | Very high | 95.9 | Very high | 96 Ų | 96 | 64.9 Ų | 64.9 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.4 | -42.4 | -172.5 | -64.9 | -67.9 | -50.5 | 0 | 0 | 113.6 | L29 G32 A37 Q38 | L29-Q34 VanDerWaalsContact CD2-NE2 3.31Å; L29-Q34 PolarHBondContact O-NE2 3.46Å; G32-Q34 PolarHBondContact O-N 3.41Å; Q34-A37 PolarHBondContact O-N 3.02Å; Q34-Q38 WeakPolarHBondContact O-CG 3.21Å; Q34-Q38 PolarHBondContact O-N 2.81Å |
| 35 | K | 96.7 | Very high | 95.8 | Very high | 177 Ų | 177 | 72.2 Ų | 72.2 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 178.6 | -67.3 | -176.8 | -179.1 | 178.2 | 0 | 111.4 | A33 A37 Q38 T39 | A33-K35 PolarHBondContact O-N 3.48Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 2.96Å; K35-Q38 PolarHBondContact O-N 3.22Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 2.85Å |
| 36 | S | 97.4 | Very high | 95.7 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 47% | 0.469 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.9 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | A33 Q38 T39 F40 | A33-S36 PolarHBondContact O-N 3.31Å; S36-Q38 PolarHBondContact O-N 3.36Å; S36-T39 PolarHBondContact O-N 2.88Å; S36-F40 VanDerWaalsContact O-CB 3.23Å; S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 2.95Å |
| 37 | A | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Y25 L28 L29 A33 Q34 K35 L41 | Y25-A37 HydrophobicContact CD2-CB 3.79Å; Y25-A37 WeakPolarHBondContact CD2-O 3.33Å; Y25-A37 HydrophobicContact CE2-CB 3.65Å; Y25-A37 WeakPolarHBondContact CE2-O 3.23Å; L28-A37 HydrophobicContact CB-CB 3.77Å; L28-A37 HydrophobicContact CD1-CB 4.5Å; L29-A37 HydrophobicContact CD2-CB 3.7Å; L29-A37 HydrophobicContact CG-CB 4.07Å; A33-A37 PolarHBondContact O-N 2.67Å; Q34-A37 PolarHBondContact O-N 3.02Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 2.96Å; A37-L41 PolarHBondContact O-N 3.17Å |
| 38 | Q | 94.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 81.6 Ų | 81.6 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.6 | -43.8 | 177.8 | -69.9 | -179.5 | 3.3 | 0 | 0 | 112.8 | Q34 K35 S36 F40 L41 S42 | Q34-Q38 WeakPolarHBondContact O-CG 3.21Å; Q34-Q38 PolarHBondContact O-N 2.81Å; K35-Q38 PolarHBondContact O-N 3.22Å; S36-Q38 PolarHBondContact O-N 3.36Å; Q38-F40 VanDerWaalsContact C-N 3.32Å; Q38-F40 PolarHBondContact O-N 2.85Å; Q38-L41 PolarHBondContact O-N 2.93Å; Q38-S42 PolarHBondContact O-N 2.87Å; Q38-S42 PolarHBondContact O-OG 3.34Å |
| 39 | T | 97.2 | Very high | 95.1 | Very high | 69 Ų | 69 | 87.8 Ų | 87.8 | 42% | 0.423 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 175.2 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | K35 S36 L41 S42 E43 | K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 2.85Å; S36-T39 PolarHBondContact O-N 2.88Å; T39-L41 PolarHBondContact O-N 2.97Å; T39-S42 WeakPolarHBondContact O-CB 3.46Å; T39-S42 PolarHBondContact O-N 3.43Å; T39-E43 HydrophobicContact CG2-CG 4.17Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.38Å; T39-E43 WeakPolarHBondContact O-CG 3.4Å; T39-E43 PolarHBondContact O-N 3.04Å |
| 40 | F | 97.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 89.3 Ų | 89.3 | 21% | 0.211 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 179.6 | 176 | -112.2 | 0 | 0 | 0 | 113 | A21 V24 L28 S36 Q38 S42 E43 I44 | A21-F40 HydrophobicContact CB-CE1 4.27Å; A21-F40 HydrophobicContact CB-CZ 4.05Å; A21-F40 WeakPolarHBondContact O-CE1 3.5Å; V24-F40 HydrophobicContact CB-CE1 4.22Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.04Å; V24-F40 HydrophobicContact CG1-CE2 4.45Å; V24-F40 HydrophobicContact CG1-CZ 4Å; L28-F40 HydrophobicContact CD1-CB 4.18Å; L28-F40 HydrophobicContact CD1-CD1 4.46Å; L28-F40 HydrophobicContact CD1-CG 4.36Å; S36-F40 VanDerWaalsContact O-CB 3.23Å; S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 2.95Å; Q38-F40 VanDerWaalsContact C-N 3.32Å; Q38-F40 PolarHBondContact O-N 2.85Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.17Å; F40-E43 PolarHBondContact O-N 3.42Å; F40-I44 HydrophobicContact CD1-CD1 4.37Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.87Å; F40-I44 HydrophobicContact CE2-CD1 4.42Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.91Å; F40-I44 HydrophobicContact CZ-CG2 4.41Å; F40-I44 WeakPolarHBondContact O-CG1 3.38Å; F40-I44 PolarHBondContact O-N 3.32Å |
| 41 | L | 95.5 | Very high | 94.5 | Very high | 28 Ų | 28 | 92 Ų | 92 | 15% | 0.147 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.3 | -67.8 | -177.9 | 0 | 0 | 0 | 112.8 | Y25 A37 Q38 T39 R45 W46 I50 | Y25-L41 HydrophobicContact CD2-CD1 3.65Å; Y25-L41 HydrophobicContact CD2-CD2 3.76Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.35Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.28Å; Y25-L41 HydrophobicContact CE2-CG 3.64Å; Y25-L41 HydrophobicContact CG-CD1 4.32Å; Y25-L41 HydrophobicContact CG-CD2 3.96Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 3.17Å; Q38-L41 PolarHBondContact O-N 2.93Å; T39-L41 PolarHBondContact O-N 2.97Å; L41-R45 PolarHBondContact O-N 3.34Å; L41-W46 HydrophobicContact CB-CB 4.15Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.3Å; L41-W46 HydrophobicContact CD2-CG 3.69Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.18Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.87Å; L41-I50 HydrophobicContact CG-CD1 4.28Å |
| 42 | S | 94.9 | Very high | 94.3 | Very high | 92 Ų | 92 | 92.6 Ų | 92.6 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69 | -43 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | Q38 T39 F40 R45 | Q38-S42 PolarHBondContact O-N 2.87Å; Q38-S42 PolarHBondContact O-OG 3.34Å; T39-S42 WeakPolarHBondContact O-CB 3.46Å; T39-S42 PolarHBondContact O-N 3.43Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.17Å; S42-R45 PolarHBondContact O-N 2.91Å |
| 43 | E | 96.9 | Very high | 93.9 | Very high | 143 Ų | 143 | 91.9 Ų | 91.9 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | -179.3 | -74.8 | -179.2 | -173.1 | 0 | 0 | 112.5 | T39 F40 R45 | T39-E43 HydrophobicContact CG2-CG 4.17Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.38Å; T39-E43 WeakPolarHBondContact O-CG 3.4Å; T39-E43 PolarHBondContact O-N 3.04Å; F40-E43 PolarHBondContact O-N 3.42Å; E43-R45 PolarHBondContact O-N 3.37Å |
| 44 | I | 95.1 | Very high | 93.6 | Very high | 71 Ų | 71 | 98.4 Ų | 98.4 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.4 | 177.7 | 73.2 | -175.8 | 0 | 0 | 0 | 112.9 | A21 F40 W46 | A21-I44 HydrophobicContact CB-CD1 3.96Å; F40-I44 HydrophobicContact CD1-CD1 4.37Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.87Å; F40-I44 HydrophobicContact CE2-CD1 4.42Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.91Å; F40-I44 HydrophobicContact CZ-CG2 4.41Å; F40-I44 WeakPolarHBondContact O-CG1 3.38Å; F40-I44 PolarHBondContact O-N 3.32Å; I44-W46 HydrophobicContact CD1-CB 4.11Å; I44-W46 HydrophobicContact CD1-CD2 4.35Å; I44-W46 HydrophobicContact CD1-CE3 3.68Å; I44-W46 HydrophobicContact CG1-CB 3.88Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.31Å |
| 45 | R | 94.7 | Very high | 93.3 | Very high | 194 Ų | 194 | 98 Ų | 98 | 73% | 0.732 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 52.1 | -176.2 | -51 | 178.6 | 78.1 | -147.8 | 2.5 | 111.2 | L41 S42 E43 E47 | L41-R45 PolarHBondContact O-N 3.34Å; S42-R45 PolarHBondContact O-N 2.91Å; E43-R45 PolarHBondContact O-N 3.37Å; R45-E47 PolarHBondContact O-N 3.4Å |
| 46 | W | 95.4 | Very high | 92.9 | Very high | 53 Ų | 53 | 92.7 Ų | 92.7 | 20% | 0.201 | 49% | 0.485 | C | S | . | . | trans | -70.9 | 117.8 | -177.4 | -170.7 | -91.7 | 0 | 0 | 0 | 111.5 | E18 A21 L22 L41 I44 K48 | E18-W46 HydrophobicContact CB-CH2 4.27Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 VanDerWaalsContact O-CH2 3.24Å; E18-W46 WeakPolarHBondContact O-CH2 3.1Å; A21-W46 HydrophobicContact CB-CE3 4.29Å; A21-W46 HydrophobicContact CB-CZ3 3.78Å; L22-W46 HydrophobicContact CB-CH2 4.32Å; L22-W46 HydrophobicContact CB-CZ2 4.39Å; L22-W46 HydrophobicContact CD1-CZ2 4.17Å; L41-W46 HydrophobicContact CB-CB 4.15Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.3Å; L41-W46 HydrophobicContact CD2-CG 3.69Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.18Å; I44-W46 HydrophobicContact CD1-CB 4.11Å; I44-W46 HydrophobicContact CD1-CD2 4.35Å; I44-W46 HydrophobicContact CD1-CE3 3.68Å; I44-W46 HydrophobicContact CG1-CB 3.88Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.31Å; W46-K48 VanDerWaalsContact CD1-O 3.26Å; W46-K48 HydrophobicContact CZ2-CB 3.96Å; W46-K48 PolarHBondContact NE1-O 3.05Å | ||
| 47 | E | 92.7 | Very high | 92.6 | Very high | 172 Ų | 172 | 89.8 Ų | 89.8 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | trans | -112.6 | -0.1 | -177 | -67.5 | 177.9 | -179.6 | 0 | 0 | 113.5 | R45 | R45-E47 PolarHBondContact O-N 3.4Š| ||
| 48 | K | 91.7 | Very high | 92.5 | Very high | 107 Ų | 107 | 94.8 Ų | 94.8 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -91.8 | 151.9 | -175.4 | -55.2 | -170.5 | -172.5 | -164.3 | 0 | 111.8 | E18 W46 | E18-K48 IonicContact OE1-NZ 2.67Å; E18-K48 PolarHBondContact OE1-NZ 3.36Å; E18-K48 IonicContact OE2-NZ 4Å; E18-K48 PolarHBondContact OE2-NZ 3.16Å; W46-K48 VanDerWaalsContact CD1-O 3.26Å; W46-K48 HydrophobicContact CZ2-CB 3.96Å; W46-K48 PolarHBondContact NE1-O 3.05Å |
| 49 | N | 90.4 | Very high | 92.6 | Very high | 162 Ų | 162 | 90.6 Ų | 90.6 | 87% | 0.866 | 47% | 0.469 | S | S | * | . | trans | -60.1 | 140.1 | 173.2 | -69.3 | -54.8 | 0 | 0 | 0 | 111.2 | ||||
| 50 | I | 88.3 | Confident | 92.5 | Very high | 55 Ų | 55 | 90.9 Ų | 90.9 | 28% | 0.282 | 47% | 0.465 | S | S | . | . | trans | -109.1 | 123.8 | -179.3 | -59.8 | 173.6 | 0 | 0 | 0 | 109 | L22 Y25 L41 L52 | L22-I50 HydrophobicContact CD1-CB 4.4Å; L22-I50 HydrophobicContact CD1-CG1 4.33Å; L22-I50 HydrophobicContact CD1-CG2 3.93Å; Y25-I50 HydrophobicContact CD1-CD1 4Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CD1 3.73Å; Y25-I50 HydrophobicContact CE1-CG2 3.63Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.87Å; L41-I50 HydrophobicContact CG-CD1 4.28Å; I50-L52 HydrophobicContact CG2-CD2 3.78Å; I50-L52 HydrophobicContact CG2-CG 4.15Å | ||
| 51 | T | 89.2 | Confident | 92.3 | Very high | 112 Ų | 112 | 91.1 Ų | 91.1 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | trans | -112.9 | 119.1 | 170.4 | 53.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 52 | L | 89.6 | Confident | 92.4 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | trans | -94.6 | 136.8 | 179.1 | -59.4 | 174.3 | 0 | 0 | 0 | 109.8 | Y25 E26 L29 I50 | Y25-L52 HydrophobicContact CD1-CD2 4Å; Y25-L52 HydrophobicContact CE1-CD2 3.89Å; E26-L52 HydrophobicContact CB-CD2 4.1Å; E26-L52 HydrophobicContact CG-CD2 4.29Å; L29-L52 HydrophobicContact CD1-CD1 3.39Å; L29-L52 HydrophobicContact CD1-CD2 3.84Å; L29-L52 HydrophobicContact CD1-CG 4.26Å; I50-L52 HydrophobicContact CG2-CD2 3.78Å; I50-L52 HydrophobicContact CG2-CG 4.15Å | ||
| 53 | G | 87.5 | Confident | 92.5 | Very high | 38 Ų | 38 | 98.1 Ų | 98.1 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | trans | -85.2 | -176.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E26 H30 | E26-G53 WeakPolarHBondContact OE1-CA 3.47Å; E26-G53 PolarHBondContact OE1-N 2.94Å; H30-G53 PolarHBondContact CE1-O 3.41Å; H30-G53 PolarHBondContact NE2-O 2.87Å | ||
| 54 | E | 89.3 | Confident | 92.4 | Very high | 168 Ų | 168 | 94.1 Ų | 94.1 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -73.1 | 144.3 | 175 | -67.6 | -64.9 | 141.1 | 0 | 0 | 111.2 | G57 | E54-G57 WeakPolarHBondContact O-CA 3.38Å; E54-G57 PolarHBondContact O-N 3.2Å |
| 55 | P | 89.1 | Confident | 92.4 | Very high | 87 Ų | 87 | 94.9 Ų | 94.9 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 142.4 | 170 | -22.7 | 32.4 | 0 | 0 | 0 | 111.6 | ||
| 56 | P | 87.3 | Confident | 92.5 | Very high | 65 Ų | 65 | 89.7 Ų | 89.7 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | 4.2 | 11.7 | 35 | -37.1 | 0 | 0 | 0 | 114.9 | H30 H60 | H30-P56 VanDerWaalsContact ND1-C 3.29Å; H30-P56 PolarHBondContact ND1-O 3.47Å; P56-H60 HydrophobicContact CB-CB 4.07Å; P56-H60 VanDerWaalsContact CB-CD2 3.49Å; P56-H60 WeakPolarHBondContact CB-CD2 3.3Å; P56-H60 WeakPolarHBondContact O-CB 3.49Å |
| 57 | G | 91.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 93.1 Ų | 93.1 | 6% | 0.062 | 47% | 0.474 | C | S | . | . | trans | 86.5 | 166.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E26 H30 E54 S61 | E26-G57 WeakPolarHBondContact OE2-CA 3.31Å; H30-G57 WeakPolarHBondContact ND1-CA 3.42Å; H30-G57 PolarHBondContact ND1-N 3.35Å; E54-G57 WeakPolarHBondContact O-CA 3.38Å; E54-G57 PolarHBondContact O-N 3.2Å; G57-S61 WeakPolarHBondContact O-CB 3.09Å; G57-S61 PolarHBondContact O-N 3.35Å; G57-S61 PolarHBondContact O-OG 3.02Å | ||
| 58 | F | 94.5 | Very high | 92.5 | Very high | 105 Ų | 105 | 87 Ų | 87 | 46% | 0.461 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | -173.1 | 178.5 | -93.5 | 0 | 0 | 0 | 112 | Y23 E26 H60 S61 W62 | Y23-F58 HydrophobicContact CD1-CB 3.75Å; Y23-F58 AromaticContact CD1-CD1 3.89Å; Y23-F58 HydrophobicContact CD1-CD1 3.89Å; Y23-F58 HydrophobicContact CD1-CG 4.11Å; Y23-F58 AromaticContact CD2-CD1 3.6Å; Y23-F58 HydrophobicContact CD2-CD1 3.6Å; Y23-F58 HydrophobicContact CD2-CE1 4.01Å; Y23-F58 HydrophobicContact CE1-CB 3.72Å; Y23-F58 AromaticContact CE1-CD1 3.77Å; Y23-F58 HydrophobicContact CE1-CD1 3.77Å; Y23-F58 AromaticContact CE1-CG 3.8Å; Y23-F58 HydrophobicContact CE1-CG 3.8Å; Y23-F58 AromaticContact CE2-CD1 3.45Å; Y23-F58 HydrophobicContact CE2-CD1 3.45Å; Y23-F58 VanDerWaalsContact CE2-CD1 3.45Å; Y23-F58 AromaticContact CE2-CE1 3.62Å; Y23-F58 HydrophobicContact CE2-CE1 3.62Å; Y23-F58 HydrophobicContact CE2-CG 4.26Å; Y23-F58 HydrophobicContact CG-CB 4.4Å; Y23-F58 AromaticContact CG-CD1 3.82Å; Y23-F58 HydrophobicContact CG-CD1 3.82Å; Y23-F58 HydrophobicContact CG-CG 4.49Å; Y23-F58 AromaticContact CZ-CD1 3.54Å; Y23-F58 AromaticContact CZ-CE1 3.96Å; Y23-F58 AromaticContact CZ-CG 3.87Å; E26-F58 PolarHBondContact OE2-N 2.96Å; F58-H60 VanDerWaalsContact C-N 3.33Å; F58-H60 PolarHBondContact O-N 3.4Å; F58-S61 PolarHBondContact O-N 2.63Å; F58-W62 HydrophobicContact CE1-CB 4.48Å; F58-W62 WeakPolarHBondContact O-CB 3.5Å; F58-W62 PolarHBondContact O-N 3.4Å |
| 59 | L | 95.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 84.2 Ų | 84.2 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | -176.7 | -172.3 | 60.9 | 0 | 0 | 0 | 111.6 | V24 Y27 W63 | V24-L59 HydrophobicContact CG2-CD2 3.92Å; Y27-L59 HydrophobicContact CG-CD2 4.37Å; L59-W63 WeakPolarHBondContact O-CB 3.33Å; L59-W63 PolarHBondContact O-N 3.41Å |
| 60 | H | 94.7 | Very high | 92.6 | Very high | 74 Ų | 74 | 80.4 Ų | 80.4 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | -180 | -171.4 | 86 | 0 | 0 | 0 | 111.1 | Y27 P56 F58 W62 W63 C64 | Y27-H60 HydrophobicContact CD2-CB 4.36Å; P56-H60 HydrophobicContact CB-CB 4.07Å; P56-H60 VanDerWaalsContact CB-CD2 3.49Å; P56-H60 WeakPolarHBondContact CB-CD2 3.3Å; P56-H60 WeakPolarHBondContact O-CB 3.49Å; F58-H60 VanDerWaalsContact C-N 3.33Å; F58-H60 PolarHBondContact O-N 3.4Å; H60-W62 VanDerWaalsContact C-N 3.35Å; H60-W62 PolarHBondContact O-N 2.88Å; H60-W63 PolarHBondContact O-N 3.34Å; H60-C64 WeakPolarHBondContact O-CB 3.35Å; H60-C64 PolarHBondContact O-N 3.46Å; H60-C64 PolarHBondContact O-SG 3.08Å |
| 61 | S | 94.7 | Very high | 92.8 | Very high | 54 Ų | 54 | 77.9 Ų | 77.9 | 38% | 0.378 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | G57 F58 C64 V65 | G57-S61 WeakPolarHBondContact O-CB 3.09Å; G57-S61 PolarHBondContact O-N 3.35Å; G57-S61 PolarHBondContact O-OG 3.02Å; F58-S61 PolarHBondContact O-N 2.63Å; S61-C64 PolarHBondContact O-N 3.09Å; S61-V65 WeakPolarHBondContact O-CG2 3.22Å; S61-V65 PolarHBondContact O-N 3.26Å |
| 62 | W | 96.7 | Very high | 92.8 | Very high | 139 Ų | 139 | 72.5 Ų | 72.5 | 53% | 0.527 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 179.1 | -173.5 | 87.9 | 0 | 0 | 0 | 112 | F58 H60 C64 V65 F66 | F58-W62 HydrophobicContact CE1-CB 4.48Å; F58-W62 WeakPolarHBondContact O-CB 3.5Å; F58-W62 PolarHBondContact O-N 3.4Å; H60-W62 VanDerWaalsContact C-N 3.35Å; H60-W62 PolarHBondContact O-N 2.88Å; W62-C64 PolarHBondContact O-N 3.01Å; W62-V65 PolarHBondContact O-N 3.48Å; W62-F66 HydrophobicContact CE3-CB 4.25Å; W62-F66 HydrophobicContact CH2-CB 4.2Å; W62-F66 HydrophobicContact CH2-CD2 4.01Å; W62-F66 HydrophobicContact CH2-CG 4.16Å; W62-F66 HydrophobicContact CZ3-CB 4.01Å; W62-F66 HydrophobicContact CZ3-CD2 4.47Å; W62-F66 HydrophobicContact CZ3-CG 4.16Å; W62-F66 WeakPolarHBondContact O-CB 3.43Å; W62-F66 PolarHBondContact O-N 2.86Å |
| 63 | W | 96.9 | Very high | 92.7 | Very high | 127 Ų | 127 | 69.2 Ų | 69.2 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.3 | -177.8 | -101.5 | 0 | 0 | 0 | 112.3 | L59 H60 V65 F66 W67 | L59-W63 WeakPolarHBondContact O-CB 3.33Å; L59-W63 PolarHBondContact O-N 3.41Å; H60-W63 PolarHBondContact O-N 3.34Å; W63-V65 PolarHBondContact O-N 3.3Å; W63-F66 AromaticContact CE3-CD1 3.95Å; W63-F66 HydrophobicContact CE3-CD1 3.95Å; W63-F66 HydrophobicContact CH2-CD1 4.26Å; W63-F66 HydrophobicContact CH2-CE1 4.18Å; W63-F66 AromaticContact CZ3-CD1 3.77Å; W63-F66 HydrophobicContact CZ3-CD1 3.77Å; W63-F66 AromaticContact CZ3-CE1 3.92Å; W63-F66 HydrophobicContact CZ3-CE1 3.92Å; W63-F66 PolarHBondContact O-N 3.49Å; W63-W67 HydrophobicContact CZ2-CE3 4.05Å; W63-W67 HydrophobicContact CZ2-CZ3 4.49Å; W63-W67 VanDerWaalsContact O-CB 3.24Å; W63-W67 WeakPolarHBondContact O-CB 3.45Å; W63-W67 PolarHBondContact O-N 2.88Å |
| 64 | C | 95.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174.7 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | H60 S61 W62 W67 D68 | H60-C64 WeakPolarHBondContact O-CB 3.35Å; H60-C64 PolarHBondContact O-N 3.46Å; H60-C64 PolarHBondContact O-SG 3.08Å; S61-C64 PolarHBondContact O-N 3.09Å; W62-C64 PolarHBondContact O-N 3.01Å; C64-W67 PolarHBondContact O-N 3.25Å; C64-D68 VanDerWaalsContact O-CB 3.28Å; C64-D68 WeakPolarHBondContact O-CB 3.39Å; C64-D68 PolarHBondContact O-N 3.28Å |
| 65 | V | 95.2 | Very high | 92.1 | Very high | 87 Ų | 87 | 71.7 Ų | 71.7 | 53% | 0.527 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 177 | 175.2 | 0 | 0 | 0 | 0 | 111 | S61 W62 W63 W67 D68 L69 | S61-V65 WeakPolarHBondContact O-CG2 3.22Å; S61-V65 PolarHBondContact O-N 3.26Å; W62-V65 PolarHBondContact O-N 3.48Å; W63-V65 PolarHBondContact O-N 3.3Å; V65-W67 PolarHBondContact O-N 3.29Å; V65-D68 PolarHBondContact O-N 2.87Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CD1 3.38Å; V65-L69 PolarHBondContact O-N 3.48Å |
| 66 | F | 95.8 | Very high | 91.8 | Very high | 85 Ų | 85 | 72 Ų | 72 | 37% | 0.373 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 177.6 | 172.3 | -97.4 | 0 | 0 | 0 | 111.6 | W62 W63 L69 Y70 | W62-F66 HydrophobicContact CE3-CB 4.25Å; W62-F66 HydrophobicContact CH2-CB 4.2Å; W62-F66 HydrophobicContact CH2-CD2 4.01Å; W62-F66 HydrophobicContact CH2-CG 4.16Å; W62-F66 HydrophobicContact CZ3-CB 4.01Å; W62-F66 HydrophobicContact CZ3-CD2 4.47Å; W62-F66 HydrophobicContact CZ3-CG 4.16Å; W62-F66 WeakPolarHBondContact O-CB 3.43Å; W62-F66 PolarHBondContact O-N 2.86Å; W63-F66 AromaticContact CE3-CD1 3.95Å; W63-F66 HydrophobicContact CE3-CD1 3.95Å; W63-F66 HydrophobicContact CH2-CD1 4.26Å; W63-F66 HydrophobicContact CH2-CE1 4.18Å; W63-F66 AromaticContact CZ3-CD1 3.77Å; W63-F66 HydrophobicContact CZ3-CD1 3.77Å; W63-F66 AromaticContact CZ3-CE1 3.92Å; W63-F66 HydrophobicContact CZ3-CE1 3.92Å; W63-F66 PolarHBondContact O-N 3.49Å; F66-L69 PolarHBondContact O-N 3.41Å; F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.41Å; F66-Y70 PolarHBondContact O-N 3.07Å |
| 67 | W | 94.2 | Very high | 91.3 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 47% | 0.473 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.5 | -171.3 | -103.1 | 0 | 0 | 0 | 111.5 | W63 C64 V65 Y70 C71 | W63-W67 HydrophobicContact CZ2-CE3 4.05Å; W63-W67 HydrophobicContact CZ2-CZ3 4.49Å; W63-W67 VanDerWaalsContact O-CB 3.24Å; W63-W67 WeakPolarHBondContact O-CB 3.45Å; W63-W67 PolarHBondContact O-N 2.88Å; C64-W67 PolarHBondContact O-N 3.25Å; V65-W67 PolarHBondContact O-N 3.29Å; W67-Y70 HydrophobicContact CE3-CD1 4.08Å; W67-Y70 HydrophobicContact CH2-CD1 4.4Å; W67-Y70 HydrophobicContact CH2-CE1 4.31Å; W67-Y70 AromaticContact CZ3-CD1 3.92Å; W67-Y70 HydrophobicContact CZ3-CD1 3.92Å; W67-Y70 AromaticContact CZ3-CE1 3.96Å; W67-Y70 HydrophobicContact CZ3-CE1 3.96Å; W67-Y70 WeakPolarHBondContact O-CB 3.06Å; W67-Y70 PolarHBondContact O-N 3.42Å; W67-C71 WeakPolarHBondContact O-CB 3.35Å; W67-C71 PolarHBondContact O-N 3.28Å; W67-C71 PolarHBondContact O-SG 3.34Å |
| 68 | D | 93.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 78.8 Ų | 78.8 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.5 | -168.6 | 35.7 | 0 | 0 | 0 | 112.2 | C64 V65 Y70 C71 A72 H82 S83 A86 | C64-D68 VanDerWaalsContact O-CB 3.28Å; C64-D68 WeakPolarHBondContact O-CB 3.39Å; C64-D68 PolarHBondContact O-N 3.28Å; V65-D68 PolarHBondContact O-N 2.87Å; D68-Y70 VanDerWaalsContact C-N 3.33Å; D68-Y70 PolarHBondContact O-N 2.93Å; D68-C71 PolarHBondContact O-N 3.03Å; D68-A72 VanDerWaalsContact O-CB 3.28Å; D68-A72 WeakPolarHBondContact O-CB 3.45Å; D68-A72 PolarHBondContact O-N 3.42Å; D68-H82 WeakPolarHBondContact OD1-CA 3.37Å; D68-S83 PolarHBondContact OD1-N 2.89Å; D68-S83 WeakPolarHBondContact OD2-CB 3.28Å; D68-S83 PolarHBondContact OD2-OG 3.4Å; D68-A86 HydrophobicContact CB-CB 4.4Å; D68-A86 WeakPolarHBondContact OD2-CB 3.28Å |
| 69 | L | 93.5 | Very high | 89.8 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 171.8 | -97.3 | 72.8 | 0 | 0 | 0 | 112.2 | V65 F66 A72 A73 A86 F89 H90 | V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CD1 3.38Å; V65-L69 PolarHBondContact O-N 3.48Å; F66-L69 PolarHBondContact O-N 3.41Å; L69-A72 CarbonylContact O-C 3.6Å; L69-A72 PolarHBondContact O-N 2.52Å; L69-A73 PolarHBondContact O-N 2.95Å; L69-A73 VanDerWaalsContact O-N 3.13Å; L69-A86 HydrophobicContact CD1-CB 3.96Å; L69-A86 HydrophobicContact CG-CB 4.46Å; L69-F89 HydrophobicContact CD2-CD1 3.76Å; L69-F89 HydrophobicContact CD2-CE1 3.88Å; L69-F89 HydrophobicContact CG-CD1 4.33Å; L69-H90 PolarHBondContact O-NE2 3.4Å |
| 70 | Y | 91.7 | Very high | 88.8 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -43 | 179.1 | -179.6 | -112.6 | 0 | 0 | 0 | 111.8 | F66 W67 D68 A72 A73 R76 | F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.41Å; F66-Y70 PolarHBondContact O-N 3.07Å; W67-Y70 HydrophobicContact CE3-CD1 4.08Å; W67-Y70 HydrophobicContact CH2-CD1 4.4Å; W67-Y70 HydrophobicContact CH2-CE1 4.31Å; W67-Y70 AromaticContact CZ3-CD1 3.92Å; W67-Y70 HydrophobicContact CZ3-CD1 3.92Å; W67-Y70 AromaticContact CZ3-CE1 3.96Å; W67-Y70 HydrophobicContact CZ3-CE1 3.96Å; W67-Y70 WeakPolarHBondContact O-CB 3.06Å; W67-Y70 PolarHBondContact O-N 3.42Å; D68-Y70 VanDerWaalsContact C-N 3.33Å; D68-Y70 PolarHBondContact O-N 2.93Å; Y70-A72 VanDerWaalsContact C-N 3.33Å; Y70-A73 VanDerWaalsContact O-CB 3.26Å; Y70-A73 WeakPolarHBondContact O-CB 3.05Å; Y70-A73 PolarHBondContact O-N 3.07Å; Y70-R76 WeakPolarHBondContact O-CD 3.24Å; Y70-R76 PolarHBondContact OH-NH1 2.95Å; Y70-R76 PolarHBondContact OH-NH2 3.34Å |
| 71 | C | 92.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 174.4 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | W67 D68 A73 C80 H82 | W67-C71 WeakPolarHBondContact O-CB 3.35Å; W67-C71 PolarHBondContact O-N 3.28Å; W67-C71 PolarHBondContact O-SG 3.34Å; D68-C71 PolarHBondContact O-N 3.03Å; C71-A73 VanDerWaalsContact C-N 3.27Å; C71-A73 PolarHBondContact O-N 3.28Å; C71-C80 HydrophobicContact CB-CB 3.5Å; C71-C80 WeakPolarHBondContact SG-CB 3.45Å; C71-H82 HydrophobicContact CB-CB 3.86Å |
| 72 | A | 89.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D68 L69 Y70 R77 H82 A86 H90 | D68-A72 VanDerWaalsContact O-CB 3.28Å; D68-A72 WeakPolarHBondContact O-CB 3.45Å; D68-A72 PolarHBondContact O-N 3.42Å; L69-A72 CarbonylContact O-C 3.6Å; L69-A72 PolarHBondContact O-N 2.52Å; Y70-A72 VanDerWaalsContact C-N 3.33Å; A72-R77 PolarHBondContact O-NE 3.47Å; A72-R77 PolarHBondContact O-NH2 3.48Å; A72-H82 HydrophobicContact CB-CB 3.93Å; A72-A86 HydrophobicContact CB-CB 3.53Å; A72-H90 PolarHBondContact O-CD2 2.78Å |
| 73 | A | 87.9 | Confident | 87.5 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 16% | 0.157 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -63.1 | 138.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | L69 Y70 C71 E75 R76 R77 | L69-A73 PolarHBondContact O-N 2.95Å; L69-A73 VanDerWaalsContact O-N 3.13Å; Y70-A73 VanDerWaalsContact O-CB 3.26Å; Y70-A73 WeakPolarHBondContact O-CB 3.05Å; Y70-A73 PolarHBondContact O-N 3.07Å; C71-A73 VanDerWaalsContact C-N 3.27Å; C71-A73 PolarHBondContact O-N 3.28Å; A73-E75 PolarHBondContact O-N 2.72Å; A73-R76 PolarHBondContact O-N 2.89Å; A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 2.94Å |
| 74 | P | 81.6 | Confident | 87.1 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -36.8 | -172.8 | -29.9 | 35 | 0 | 0 | 0 | 115.1 | R76 | P74-R76 PolarHBondContact O-N 3.21Š|
| 75 | E | 82 | Confident | 86.9 | Confident | 178 Ų | 178 | 82.2 Ų | 82.2 | 83% | 0.832 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -14 | -179.7 | -51.6 | -65.8 | 175.8 | 0 | 0 | 114.7 | A73 | A73-E75 PolarHBondContact O-N 2.72Š|
| 76 | R | 81.9 | Confident | 86.7 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -4.9 | -167.7 | -65 | 173.9 | -175.4 | -111.6 | 0.4 | 114.4 | Y70 A73 P74 D78 T79 C80 | Y70-R76 WeakPolarHBondContact O-CD 3.24Å; Y70-R76 PolarHBondContact OH-NH1 2.95Å; Y70-R76 PolarHBondContact OH-NH2 3.34Å; A73-R76 PolarHBondContact O-N 2.89Å; P74-R76 PolarHBondContact O-N 3.21Å; R76-D78 PolarHBondContact O-N 3.43Å; R76-D78 VanDerWaalsContact O-N 3.07Å; R76-T79 PolarHBondContact O-N 2.81Å; R76-T79 PolarHBondContact O-OG1 3.35Å; R76-T79 VanDerWaalsContact O-OG1 3.1Å; R76-C80 PolarHBondContact O-N 3.5Å |
| 77 | R | 77.7 | Confident | 86.3 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.9 | -173.6 | -68.9 | 178.1 | 179.7 | -175.8 | -8.1 | 113.2 | A72 A73 H82 K87 H90 D91 | A72-R77 PolarHBondContact O-NE 3.47Å; A72-R77 PolarHBondContact O-NH2 3.48Å; A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 2.94Å; R77-H82 PolarHBondContact O-CE1 3.41Å; R77-K87 PolarHBondContact NH2-O 3.29Å; R77-H90 VanDerWaalsContact NH2-CB 3.29Å; R77-D91 IonicContact CZ-OD1 3.2Å; R77-D91 IonicContact NH1-OD1 2.73Å; R77-D91 PolarHBondContact NH1-OD1 2.88Å; R77-D91 IonicContact NH1-OD2 3.88Å; R77-D91 IonicContact NH2-OD1 2.78Å; R77-D91 PolarHBondContact NH2-OD1 2.71Å |
| 78 | D | 75 | Confident | 86.1 | Confident | 163 Ų | 163 | 73.5 Ų | 73.5 | 87% | 0.872 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.6 | -178.3 | -57.9 | -45.8 | 0 | 0 | 0 | 113.5 | R76 | R76-D78 PolarHBondContact O-N 3.43Å; R76-D78 VanDerWaalsContact O-N 3.07Å |
| 79 | T | 79.1 | Confident | 85.9 | Confident | 116 Ų | 116 | 77 Ų | 77 | 71% | 0.712 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -16.9 | -174.3 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | R76 | R76-T79 PolarHBondContact O-N 2.81Å; R76-T79 PolarHBondContact O-OG1 3.35Å; R76-T79 VanDerWaalsContact O-OG1 3.1Å |
| 80 | C | 74.7 | Confident | 85.7 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -130.1 | 132.8 | -177.6 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | C71 R76 H82 | C71-C80 HydrophobicContact CB-CB 3.5Å; C71-C80 WeakPolarHBondContact SG-CB 3.45Å; R76-C80 PolarHBondContact O-N 3.5Å; C80-H82 PolarHBondContact O-N 3.03Å; C80-H82 PolarHBondContact O-ND1 3.14Å |
| 81 | E | 83.8 | Confident | 85.4 | Confident | 193 Ų | 193 | 76 Ų | 76 | 90% | 0.902 | 39% | 0.393 | S | S | * | . | trans | -62.1 | 134.1 | 168.2 | -64 | -175.1 | 165.9 | 0 | 0 | 109.9 | ||||
| 82 | H | 87.8 | Confident | 85 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 27% | 0.269 | 43% | 0.425 | S | S | . | . | trans | -149.8 | 157.2 | -176.8 | 57.7 | -83.9 | 0 | 0 | 0 | 111.1 | D68 C71 A72 R77 C80 | D68-H82 WeakPolarHBondContact OD1-CA 3.37Å; C71-H82 HydrophobicContact CB-CB 3.86Å; A72-H82 HydrophobicContact CB-CB 3.93Å; R77-H82 PolarHBondContact O-CE1 3.41Å; C80-H82 PolarHBondContact O-N 3.03Å; C80-H82 PolarHBondContact O-ND1 3.14Å | ||
| 83 | S | 88.5 | Confident | 84.7 | Confident | 42 Ų | 42 | 87.2 Ų | 87.2 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | trans | -75.7 | 153.2 | 179.6 | 84.4 | 0 | 0 | 0 | 0 | 112.1 | D68 E85 A86 K87 | D68-S83 PolarHBondContact OD1-N 2.89Å; D68-S83 WeakPolarHBondContact OD2-CB 3.28Å; D68-S83 PolarHBondContact OD2-OG 3.4Å; S83-E85 PolarHBondContact O-N 3.45Å; S83-E85 PolarHBondContact OG-N 2.95Å; S83-A86 PolarHBondContact O-N 3.25Å; S83-A86 WeakPolarHBondContact OG-CB 3.42Å; S83-A86 PolarHBondContact OG-N 3.24Å; S83-K87 PolarHBondContact O-N 3.4Å; S83-K87 VanDerWaalsContact O-N 3.14Å | ||
| 84 | S | 88.2 | Confident | 84.1 | Confident | 61 Ų | 61 | 89.3 Ų | 89.3 | 43% | 0.427 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -26.9 | 174 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | A88 | S84-A88 WeakPolarHBondContact O-CB 3.26Å; S84-A88 PolarHBondContact O-N 2.83Å |
| 85 | E | 91.6 | Very high | 83.8 | Confident | 160 Ų | 160 | 89.4 Ų | 89.4 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.2 | -44.7 | 178 | -173.4 | 171.8 | 170.2 | 0 | 0 | 111 | S83 K87 A88 F89 | S83-E85 PolarHBondContact O-N 3.45Å; S83-E85 PolarHBondContact OG-N 2.95Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 3.29Å; E85-A88 PolarHBondContact O-N 3.4Å; E85-F89 PolarHBondContact O-N 3.43Å |
| 86 | A | 89.5 | Confident | 83.2 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 2% | 0.017 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D68 L69 A72 S83 F89 H90 | D68-A86 HydrophobicContact CB-CB 4.4Å; D68-A86 WeakPolarHBondContact OD2-CB 3.28Å; L69-A86 HydrophobicContact CD1-CB 3.96Å; L69-A86 HydrophobicContact CG-CB 4.46Å; A72-A86 HydrophobicContact CB-CB 3.53Å; S83-A86 PolarHBondContact O-N 3.25Å; S83-A86 WeakPolarHBondContact OG-CB 3.42Å; S83-A86 PolarHBondContact OG-N 3.24Å; A86-F89 PolarHBondContact O-N 2.85Å; A86-H90 PolarHBondContact O-CD2 3.39Å; A86-H90 PolarHBondContact O-N 3.42Å |
| 87 | K | 88.5 | Confident | 82.1 | Confident | 80 Ų | 80 | 82.8 Ų | 82.8 | 35% | 0.348 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 173.1 | -175.2 | 179.3 | -177.2 | -64 | 0 | 111.6 | R77 S83 E85 F89 H90 D91 | R77-K87 PolarHBondContact NH2-O 3.29Å; S83-K87 PolarHBondContact O-N 3.4Å; S83-K87 VanDerWaalsContact O-N 3.14Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 3.29Å; K87-F89 VanDerWaalsContact C-N 3.29Å; K87-F89 PolarHBondContact O-N 3.13Å; K87-H90 PolarHBondContact O-N 3.36Å; K87-D91 IonicContact NZ-OD1 2.64Å; K87-D91 IonicContact NZ-OD2 2.63Å; K87-D91 PolarHBondContact NZ-OD2 3.44Å; K87-D91 VanDerWaalsContact O-CG 3.23Å; K87-D91 PolarHBondContact O-N 2.92Å |
| 88 | A | 89.9 | Confident | 80.9 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 26% | 0.264 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S84 E85 H90 D91 Y92 | S84-A88 WeakPolarHBondContact O-CB 3.26Å; S84-A88 PolarHBondContact O-N 2.83Å; E85-A88 PolarHBondContact O-N 3.4Å; A88-H90 PolarHBondContact O-N 2.87Å; A88-D91 PolarHBondContact O-N 3.46Å; A88-Y92 HydrophobicContact CB-CD2 4.12Å; A88-Y92 HydrophobicContact CB-CE2 3.93Å; A88-Y92 WeakPolarHBondContact O-CB 3.23Å; A88-Y92 WeakPolarHBondContact O-CD2 3.4Å; A88-Y92 PolarHBondContact O-N 3.18Å |
| 89 | F | 89.9 | Confident | 79.5 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.8 | -176 | -96.1 | 0 | 0 | 0 | 112.4 | L69 E85 A86 K87 S93 | L69-F89 HydrophobicContact CD2-CD1 3.76Å; L69-F89 HydrophobicContact CD2-CE1 3.88Å; L69-F89 HydrophobicContact CG-CD1 4.33Å; E85-F89 PolarHBondContact O-N 3.43Å; A86-F89 PolarHBondContact O-N 2.85Å; K87-F89 VanDerWaalsContact C-N 3.29Å; K87-F89 PolarHBondContact O-N 3.13Å; F89-S93 WeakPolarHBondContact O-CB 3.26Å; F89-S93 PolarHBondContact O-N 2.64Å; F89-S93 PolarHBondContact O-OG 2.89Å |
| 90 | H | 88.4 | Confident | 78.3 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 24% | 0.236 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.6 | -81.4 | -72.2 | 0 | 0 | 0 | 112.4 | L69 A72 R77 A86 K87 A88 S93 A94 | L69-H90 PolarHBondContact O-NE2 3.4Å; A72-H90 PolarHBondContact O-CD2 2.78Å; R77-H90 VanDerWaalsContact NH2-CB 3.29Å; A86-H90 PolarHBondContact O-CD2 3.39Å; A86-H90 PolarHBondContact O-N 3.42Å; K87-H90 PolarHBondContact O-N 3.36Å; A88-H90 PolarHBondContact O-N 2.87Å; H90-S93 PolarHBondContact O-N 3.43Å; H90-A94 VanDerWaalsContact O-CB 3.26Å; H90-A94 WeakPolarHBondContact O-CB 3.42Å; H90-A94 PolarHBondContact O-N 3.18Å |
| 91 | D | 85.6 | Confident | 76.9 | Confident | 59 Ų | 59 | 87.9 Ų | 87.9 | 32% | 0.316 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | -178.3 | -68.9 | -12.1 | 0 | 0 | 0 | 111.9 | R77 K87 A88 A94 A95 | R77-D91 IonicContact CZ-OD1 3.2Å; R77-D91 IonicContact NH1-OD1 2.73Å; R77-D91 PolarHBondContact NH1-OD1 2.88Å; R77-D91 IonicContact NH1-OD2 3.88Å; R77-D91 IonicContact NH2-OD1 2.78Å; R77-D91 PolarHBondContact NH2-OD1 2.71Å; K87-D91 IonicContact NZ-OD1 2.64Å; K87-D91 IonicContact NZ-OD2 2.63Å; K87-D91 PolarHBondContact NZ-OD2 3.44Å; K87-D91 VanDerWaalsContact O-CG 3.23Å; K87-D91 PolarHBondContact O-N 2.92Å; A88-D91 PolarHBondContact O-N 3.46Å; D91-A94 PolarHBondContact O-N 3.36Å; D91-A95 WeakPolarHBondContact O-CB 3.35Å; D91-A95 PolarHBondContact O-N 3.33Å |
| 92 | Y | 84.8 | Confident | 75.3 | Confident | 177 Ų | 177 | 85.7 Ų | 85.7 | 69% | 0.694 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.3 | -38.3 | 174.9 | -71.3 | -55.1 | 0 | 0 | 0 | 111.9 | A88 A94 A95 A96 | A88-Y92 HydrophobicContact CB-CD2 4.12Å; A88-Y92 HydrophobicContact CB-CE2 3.93Å; A88-Y92 WeakPolarHBondContact O-CB 3.23Å; A88-Y92 WeakPolarHBondContact O-CD2 3.4Å; A88-Y92 PolarHBondContact O-N 3.18Å; Y92-A94 VanDerWaalsContact C-N 3.34Å; Y92-A95 PolarHBondContact O-N 2.99Å; Y92-A96 VanDerWaalsContact O-CB 3.23Å; Y92-A96 WeakPolarHBondContact O-CB 3.22Å; Y92-A96 PolarHBondContact O-N 3.36Å |
| 93 | S | 81.4 | Confident | 73 | Confident | 59 Ų | 59 | 86.3 Ų | 86.3 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | F89 H90 A96 A97 | F89-S93 WeakPolarHBondContact O-CB 3.26Å; F89-S93 PolarHBondContact O-N 2.64Å; F89-S93 PolarHBondContact O-OG 2.89Å; H90-S93 PolarHBondContact O-N 3.43Å; S93-A96 PolarHBondContact O-N 3.07Å; S93-A97 PolarHBondContact O-N 3.1Å |
| 94 | A | 76.6 | Confident | 70.8 | Confident | 64 Ų | 64 | 91 Ų | 91 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.4 | -36.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H90 D91 Y92 A96 A97 | H90-A94 VanDerWaalsContact O-CB 3.26Å; H90-A94 WeakPolarHBondContact O-CB 3.42Å; H90-A94 PolarHBondContact O-N 3.18Å; D91-A94 PolarHBondContact O-N 3.36Å; Y92-A94 VanDerWaalsContact C-N 3.34Å; A94-A96 VanDerWaalsContact C-N 3.33Å; A94-A97 PolarHBondContact O-N 3.42Å |
| 95 | A | 74.2 | Confident | 69.1 | Low | 82 Ų | 82 | 94.9 Ų | 94.9 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.5 | -27.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D91 Y92 | D91-A95 WeakPolarHBondContact O-CB 3.35Å; D91-A95 PolarHBondContact O-N 3.33Å; Y92-A95 PolarHBondContact O-N 2.99Å |
| 96 | A | 70.3 | Confident | 67.5 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -83.6 | -16.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y92 S93 A94 | Y92-A96 VanDerWaalsContact O-CB 3.23Å; Y92-A96 WeakPolarHBondContact O-CB 3.22Å; Y92-A96 PolarHBondContact O-N 3.36Å; S93-A96 PolarHBondContact O-N 3.07Å; A94-A96 VanDerWaalsContact C-N 3.33Å |
| 97 | A | 59 | Low | 65.6 | Low | 50 Ų | 50 | 98 Ų | 98 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -66.6 | 130.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S93 A94 S99 | S93-A97 PolarHBondContact O-N 3.1Å; A94-A97 PolarHBondContact O-N 3.42Å; A97-S99 PolarHBondContact O-N 3.05Å |
| 98 | P | 51.9 | Low | 63.7 | Low | 124 Ų | 124 | 101.1 Ų | 101.1 | 81% | 0.805 | 62% | 0.622 | S | S | * | * | trans | -57.6 | 112.4 | 171.4 | 24.3 | -30.7 | 0 | 0 | 0 | 106.6 | ||||
| 99 | S | 45.9 | Very low | 61.6 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | trans | -50.5 | 129.2 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 107.4 | A97 V101 | A97-S99 PolarHBondContact O-N 3.05Å; S99-V101 PolarHBondContact O-N 2.73Å | ||
| 100 | P | 54.1 | Low | 59.4 | Low | 121 Ų | 121 | 104.6 Ų | 104.6 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | trans | -57.2 | 113.5 | 167.4 | 24.6 | -30 | 0 | 0 | 0 | 104.6 | L102 | P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 2.78Å | ||
| 101 | V | 45.4 | Very low | 57.7 | Low | 133 Ų | 133 | 110.8 Ų | 110.8 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | trans | -51.2 | 108.4 | 170.6 | 160.5 | 0 | 0 | 0 | 0 | 104.8 | S99 G103 | S99-V101 PolarHBondContact O-N 2.73Å; V101-G103 PolarHBondContact O-N 2.75Å | ||
| 102 | L | 49 | Very low | 55.9 | Low | 148 Ų | 148 | 113.8 Ų | 113.8 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -57.7 | 96 | 172.9 | -173.8 | 72.9 | 0 | 0 | 0 | 105.4 | P100 N104 | P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 2.78Å; L102-N104 HydrophobicContact CG-CB 4.23Å; L102-N104 PolarHBondContact O-N 3.28Å | ||
| 103 | G | 41.2 | Very low | 53.9 | Low | 71 Ų | 71 | 109.4 Ų | 109.4 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 41.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V101 | V101-G103 PolarHBondContact O-N 2.75Š| ||
| 104 | N | 41.8 | Very low | 52.1 | Low | 139 Ų | 139 | 110 Ų | 110 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -104.1 | 58.1 | 175.4 | -123.3 | 64.2 | 0 | 0 | 0 | 109 | L102 | L102-N104 HydrophobicContact CG-CB 4.23Å; L102-N104 PolarHBondContact O-N 3.28Å | ||
| 105 | I | 52.8 | Low | 50.8 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -111.2 | 104.2 | 162.9 | -62.5 | 169.4 | 0 | 0 | 0 | 105.9 | ||||
| 106 | P | 58.2 | Low | 50 | Low | 102 Ų | 102 | 117 Ų | 117 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -58.7 | 145.7 | 166.2 | 26.7 | -32 | 0 | 0 | 0 | 108.3 | N108 | P106-N108 PolarHBondContact O-N 2.86Š| ||
| 107 | P | 47.9 | Very low | 49.1 | Very low | 125 Ų | 125 | 118.5 Ų | 118.5 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 99.2 | -175.1 | 25.3 | -31.2 | 0 | 0 | 0 | 108.8 | D109 | P107-D109 PolarHBondContact O-N 2.97Š| ||
| 108 | N | 49.9 | Very low | 48.4 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 116.3 | 171 | -172.4 | 45 | 0 | 0 | 0 | 107.1 | P106 G110 | P106-N108 PolarHBondContact O-N 2.86Å; N108-G110 PolarHBondContact O-N 2.87Å | ||
| 109 | D | 46.2 | Very low | 48.1 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -47.1 | 93.7 | 172.5 | -69.6 | -66.3 | 0 | 0 | 0 | 111.8 | P107 M111 | P107-D109 PolarHBondContact O-N 2.97Å; D109-M111 PolarHBondContact O-N 3.28Å | ||
| 110 | G | 42.1 | Very low | 48.1 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -89.7 | 81.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N108 | N108-G110 PolarHBondContact O-N 2.87Š| ||
| 111 | M | 52.7 | Low | 47.8 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 135.9 | 168.1 | -83.9 | -179.1 | 78.3 | 0 | 0 | 110.8 | D109 | D109-M111 PolarHBondContact O-N 3.28Š| ||
| 112 | P | 47.5 | Very low | 47.7 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -89.5 | 134.2 | 179.3 | 34.5 | -30.3 | 0 | 0 | 0 | 111.8 | ||||
| 113 | G | 44 | Very low | 47.5 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 65.7 | 110.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 114 | G | 43.7 | Very low | 48 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -178.1 | 119.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 115 | P | 49.7 | Very low | 48.1 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -94.6 | 130.2 | -172.5 | 34.9 | -28.7 | 0 | 0 | 0 | 111.6 | ||||
| 116 | I | 56.7 | Low | 47.7 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -140.5 | 134.3 | 170.3 | -53.8 | -177.4 | 0 | 0 | 0 | 109.7 | ||||
| 117 | P | 52.3 | Low | 47.2 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -92.4 | 174.2 | -150 | 38.7 | -37.8 | 0 | 0 | 0 | 115.5 | ||||
| 118 | P | 44.2 | Very low | 46.9 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -90 | 137.7 | -160.5 | 34.4 | -30.1 | 0 | 0 | 0 | 113.2 | ||||
| 119 | G | 45.3 | Very low | 46.6 | Very low | 53 Ų | 53 | 125.8 Ų | 125.8 | 55% | 0.546 | 80% | 0.795 | S | S | . | * | trans | 163 | 155.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 120 | F | 44.8 | Very low | 46.5 | Very low | 191 Ų | 191 | 124.1 Ų | 124.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 80.2 | 100.6 | 147.4 | -25.3 | -74.3 | 0 | 0 | 0 | 117.4 | ||||
| 121 | F | 48 | Very low | 46.6 | Very low | 191 Ų | 191 | 125.2 Ų | 125.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 130.3 | 91 | 150.5 | -93.9 | -101.2 | 0 | 0 | 0 | 113 | ||||
| 122 | Q | 44.6 | Very low | 46.4 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | 52.4 | 90.8 | 87.9 | -65.2 | -166.3 | 40 | 0 | 0 | 112.7 | |||||
| 123 | G | 43.1 | Very low | 46.3 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | 117 | 169.7 | 86.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 124 | P | 52.2 | Low | 46.5 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | -121.3 | 167.9 | -8.9 | 36.7 | -19.7 | 0 | 0 | 0 | 114.3 | ||||
| 125 | P | 43.8 | Very low | 47.1 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -86.7 | 137.3 | 179.9 | 34.9 | -29.8 | 0 | 0 | 0 | 110.9 | ||||
| 126 | G | 45.2 | Very low | 47.8 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -163.9 | 116 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 127 | S | 48.4 | Very low | 48 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 60.6 | 114.9 | 150.7 | 33 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 128 | Q | 40 | Very low | 47.8 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -178.6 | 136.6 | 47.4 | -173.5 | 176.5 | -1.3 | 0 | 0 | 108.5 | ||||
| 129 | P | 45.1 | Very low | 47.9 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -92.7 | 133.5 | 169.9 | 33.5 | -26 | 0 | 0 | 0 | 110.2 | ||||
| 130 | S | 42.2 | Very low | 48 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -103.8 | 112.9 | 160.3 | -77 | 0 | 0 | 0 | 0 | 109 | ||||
| 131 | P | 44.3 | Very low | 47.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 62% | 0.623 | 79% | 0.788 | S | S | * | * | trans | -87.1 | 161.3 | 165.2 | 35 | -28 | 0 | 0 | 0 | 109.9 | ||||
| 132 | H | 48.8 | Very low | 47.7 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 90.1 | 93.5 | 165.8 | -53.8 | -43.3 | 0 | 0 | 0 | 118.8 | ||||
| 133 | A | 46.6 | Very low | 47.6 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | -134 | 121.5 | 127.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 134 | Q | 47.1 | Very low | 48 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 148.1 | -161.8 | -65.7 | 177.3 | -85.3 | 0 | 0 | 114.7 | ||
| 135 | P | 57.3 | Low | 47.7 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 151.6 | 152.4 | 34.2 | -28.6 | 0 | 0 | 0 | 110.4 | ||
| 136 | P | 63.3 | Low | 48.3 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68 | 139.7 | 177.1 | 27 | -31.1 | 0 | 0 | 0 | 111.1 | ||
| 137 | P | 60.8 | Low | 48.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 134 | -170.4 | 31.7 | -32.9 | 0 | 0 | 0 | 111.5 | ||
| 138 | H | 48.6 | Very low | 48.2 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 129.9 | 166.1 | -78.8 | 49.6 | 0 | 0 | 0 | 109.8 | ||
| 139 | N | 46.9 | Very low | 48.3 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 124 | 168.3 | -173.2 | 10.1 | 0 | 0 | 0 | 109.5 | ||
| 140 | P | 46.9 | Very low | 48.3 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -96 | 118 | 174.5 | 33.9 | -24.7 | 0 | 0 | 0 | 110.1 | ||
| 141 | S | 42.9 | Very low | 48.4 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -159.1 | 128 | 156.5 | -84.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 142 | S | 42.8 | Very low | 48.7 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 102.6 | 90.6 | 170.9 | -42 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 143 | M | 43.7 | Very low | 48.2 | Very low | 191 Ų | 191 | 140 Ų | 140 | 94% | 0.941 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 120.6 | 166.9 | -65 | 166.5 | 150.4 | 0 | 0 | 111.5 | ||||
| 144 | M | 50.9 | Low | 48.5 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | trans | 164.6 | 133.7 | 139.8 | -103.9 | 175.3 | 161.9 | 0 | 0 | 112.1 | ||||
| 145 | G | 46.1 | Very low | 48.5 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 119.2 | 120.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 146 | P | 56.3 | Low | 47.7 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -85.6 | 128.4 | 179.9 | 33.7 | -30.2 | 0 | 0 | 0 | 112.6 | ||||
| 147 | H | 44.5 | Very low | 46.8 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | 50.5 | 132.6 | 130.9 | -79.4 | 38.4 | 0 | 0 | 0 | 121.8 | ||||
| 148 | S | 46.1 | Very low | 45.7 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 94.4 | 88.9 | 156.3 | 73.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 149 | Q | 43.7 | Very low | 45.6 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -132.1 | 145.1 | 156.1 | -78.1 | -65.5 | -58.4 | 0 | 0 | 109.7 | ||||
| 150 | P | 44.4 | Very low | 45.7 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | -83.1 | 151.4 | -169 | 34.6 | -33.3 | 0 | 0 | 0 | 112.3 | M152 | P150-M152 PolarHBondContact O-N 2.82Å; P150-M152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | F | 44.2 | Very low | 45.8 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -75.8 | 90.2 | 177.4 | -140.5 | -96.1 | 0 | 0 | 0 | 109.6 | ||||
| 152 | M | 49.9 | Very low | 46.2 | Very low | 171 Ų | 171 | 144 Ų | 144 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -119.3 | 123.3 | 160.6 | -77.5 | -161.1 | 136.5 | 0 | 0 | 108 | P150 P154 | P150-M152 PolarHBondContact O-N 2.82Å; P150-M152 VanDerWaalsContact O-N 3.08Å; M152-P154 VanDerWaalsContact O-CD 3.31Å; M152-P154 WeakPolarHBondContact O-CD 3.26Å | ||
| 153 | S | 39.2 | Very low | 46.1 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | -101.9 | 104.8 | 171.8 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | R155 | S153-R155 PolarHBondContact O-N 3.38Š| ||
| 154 | P | 53.2 | Low | 46.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -75.7 | 100.6 | 158.8 | -12.3 | 28.6 | 0 | 0 | 0 | 108 | M152 Y156 | M152-P154 VanDerWaalsContact O-CD 3.31Å; M152-P154 WeakPolarHBondContact O-CD 3.26Å; P154-Y156 PolarHBondContact O-N 2.92Å | ||
| 155 | R | 46.7 | Very low | 45.9 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -79 | 70.5 | 163 | -72.5 | -169.6 | -174.7 | -165.7 | 3.3 | 109 | S153 | S153-R155 PolarHBondContact O-N 3.38Š| ||
| 156 | Y | 40.1 | Very low | 45.6 | Very low | 220 Ų | 220 | 150.4 Ų | 150.4 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -133.1 | 122.7 | 151.1 | -94.5 | -85.6 | 0 | 0 | 0 | 106.8 | P154 G158 | P154-Y156 PolarHBondContact O-N 2.92Å; Y156-G158 PolarHBondContact O-N 3.44Å; Y156-G158 VanDerWaalsContact O-N 3.09Å |
| 157 | A | 44.8 | Very low | 44.8 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -56.7 | 115.4 | 178 | 0 | 0 | 0 | 0 | 0 | 109.3 | G159 | A157-G159 PolarHBondContact O-N 2.83Š| ||
| 158 | G | 38.6 | Very low | 44.8 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 125.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y156 | Y156-G158 PolarHBondContact O-N 3.44Å; Y156-G158 VanDerWaalsContact O-N 3.09Å |
| 159 | G | 45.2 | Very low | 44.7 | Very low | 63 Ų | 63 | 148.5 Ų | 148.5 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 151.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A157 R161 | A157-G159 PolarHBondContact O-N 2.83Å; G159-R161 PolarHBondContact O-N 2.89Å |
| 160 | P | 49.6 | Very low | 45 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 120.2 | -167.8 | 29.9 | -33.2 | 0 | 0 | 0 | 111.1 | ||
| 161 | R | 47.9 | Very low | 45 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 116.8 | 167.7 | -164.4 | 174.2 | 174.1 | 177.5 | -1.5 | 109.2 | G159 | G159-R161 PolarHBondContact O-N 2.89Š|
| 162 | P | 52.8 | Low | 44.9 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 142.6 | 175.4 | 27.9 | -30.8 | 0 | 0 | 0 | 110.7 | ||
| 163 | P | 40.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 118.1 | -178.2 | 34.6 | -23.6 | 0 | 0 | 0 | 110.2 | ||
| 164 | I | 49.4 | Very low | 44.6 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -138.4 | 130.4 | 160.4 | -57.2 | -176 | 0 | 0 | 0 | 111.5 | ||||
| 165 | R | 41.5 | Very low | 44 | Very low | 232 Ų | 232 | 139.1 Ų | 139.1 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | -54.6 | 152 | 178.5 | -71.5 | 171.2 | 170.7 | -168.3 | -2.3 | 114.3 | ||||
| 166 | M | 38.9 | Very low | 43.8 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 98% | 0.975 | 81% | 0.814 | S | S | * | * | trans | -42 | 131.5 | 150.9 | -156.8 | 91.3 | 175.4 | 0 | 0 | 112.1 | ||||
| 167 | G | 40.9 | Very low | 44.1 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 180 | 102.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 168 | N | 43.3 | Very low | 44 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | 38.4 | 120.4 | 147.9 | -79.1 | 13.8 | 0 | 0 | 0 | 122.4 | ||||
| 169 | Q | 43.8 | Very low | 44.5 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 38.6 | 126.2 | 136.1 | -76.5 | -173.8 | -71.7 | 0 | 0 | 120.5 | ||||
| 170 | P | 49.8 | Very low | 44.6 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -91.9 | 123.5 | 138.2 | 31.5 | -23.4 | 0 | 0 | 0 | 110.4 | ||||
| 171 | P | 45.7 | Very low | 44.8 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -91 | 130.3 | 167.7 | 8.6 | 9.4 | 0 | 0 | 0 | 111.4 | ||||
| 172 | G | 42.4 | Very low | 44.9 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | 97.7 | 119.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 173 | G | 39.4 | Very low | 44.4 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 147.1 | 57.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 174 | V | 43.2 | Very low | 44.5 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -71.1 | 175.2 | 155.9 | -65.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 175 | P | 40.3 | Very low | 44.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | cis | -147.1 | 162.4 | 14.8 | 35.2 | -12 | 0 | 0 | 0 | 117.5 | ||||
| 176 | G | 42.5 | Very low | 44.7 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -177.5 | 87.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 177 | T | 46.5 | Very low | 45.1 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | 65.6 | 90.7 | 150.3 | 64.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 178 | Q | 41.6 | Very low | 45.2 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -70.3 | -173.1 | 139.9 | -84.7 | -122.5 | 57.7 | 0 | 0 | 110.8 | ||||
| 179 | P | 49.6 | Very low | 45.3 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 59% | 0.591 | 79% | 0.787 | S | S | * | * | cis | -133.3 | -176.7 | -25 | 21.8 | 2 | 0 | 0 | 0 | 111.9 | ||||
| 180 | L | 48.3 | Very low | 45.1 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | 174.4 | 112.1 | 123.7 | -85.9 | 173.8 | 0 | 0 | 0 | 110.6 | |||||
| 181 | L | 52.5 | Low | 44.7 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -82.8 | -162.1 | 166 | -67.3 | 156.7 | 0 | 0 | 0 | 109.5 | ||||
| 182 | P | 49.5 | Very low | 44.4 | Very low | 101 Ų | 101 | 135 Ų | 135 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | cis | -131.9 | -177.8 | -38.3 | 20.5 | 3.6 | 0 | 0 | 0 | 111.5 | ||||
| 183 | N | 43.4 | Very low | 44.2 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 150.4 | 115 | 141.6 | -82.4 | 18.2 | 0 | 0 | 0 | 108.9 | ||||
| 184 | S | 42.7 | Very low | 44.7 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | 62.9 | 92.6 | 63 | -49.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 185 | M | 57.1 | Low | 44.5 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -176.1 | 114.1 | 141.4 | -103.9 | 173.3 | -128.3 | 0 | 0 | 113.1 | ||||
| 186 | D | 38.3 | Very low | 45.1 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -71.9 | -175.5 | 147.4 | -168.4 | 28.7 | 0 | 0 | 0 | 108.6 | ||||
| 187 | P | 46.8 | Very low | 45.2 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 51% | 0.513 | 80% | 0.804 | S | S | . | * | cis | -132 | 169 | -22.3 | 14.9 | 11.9 | 0 | 0 | 0 | 113.9 | R189 | P187-R189 PolarHBondContact O-N 3.43Š| ||
| 188 | T | 42.4 | Very low | 44.8 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | 42.1 | 26.8 | 139.3 | 69.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 189 | R | 44.8 | Very low | 45 | Very low | 244 Ų | 244 | 139.8 Ų | 139.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -103.6 | 112.3 | 173.5 | -86.1 | -169.6 | 175 | 166.1 | 0.4 | 115.6 | P187 | P187-R189 PolarHBondContact O-N 3.43Š| ||
| 190 | Q | 40.4 | Very low | 44.6 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -52.5 | 146.7 | 159.6 | -59 | -173.8 | 3.8 | 0 | 0 | 112.7 | ||||
| 191 | Q | 41.4 | Very low | 44.6 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | 157.2 | 128.3 | 124 | -87 | -172.7 | 6.1 | 0 | 0 | 112 | |||||
| 192 | G | 39.6 | Very low | 44.1 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 120.7 | 89.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 193 | H | 37.9 | Very low | 43.9 | Very low | 186 Ų | 186 | 149 Ų | 149 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -82.8 | -177.9 | 154.8 | -90.2 | -80.6 | 0 | 0 | 0 | 110.3 | ||||
| 194 | P | 48.9 | Very low | 44.1 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | cis | -138.9 | 168.8 | -24.3 | 29.4 | -7.3 | 0 | 0 | 0 | 115.1 | ||||
| 195 | N | 40.8 | Very low | 44.9 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | 33.9 | 111.2 | 138.9 | -162.8 | 42.2 | 0 | 0 | 0 | 121.4 | ||||
| 196 | M | 52.9 | Low | 44.9 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | trans | -157.8 | 134 | 153.1 | -92 | -144.4 | -175.3 | 0 | 0 | 113.9 | ||||
| 197 | G | 44.8 | Very low | 45.3 | Very low | 81 Ų | 81 | 151.8 Ų | 151.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 83.2 | 114.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 198 | G | 38 | Very low | 45.2 | Very low | 77 Ų | 77 | 151.6 Ų | 151.6 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | cis | 103.3 | 104.7 | 29 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 199 | S | 44.8 | Very low | 45.5 | Very low | 127 Ų | 127 | 154 Ų | 154 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | 176.3 | 129.6 | 137.8 | 40.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 200 | M | 40.7 | Very low | 45.5 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -59.3 | 155.9 | 172.6 | -57.9 | 166.1 | -173.3 | 0 | 0 | 111.3 | ||||
| 201 | Q | 49.3 | Very low | 46.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | 150.3 | 129.4 | 117.6 | -74.8 | -149 | 18.4 | 0 | 0 | 113.6 | |||||
| 202 | R | 41.2 | Very low | 46.8 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | trans | 70.7 | 106.8 | 149.1 | -68.4 | 177.3 | -179.4 | -84.6 | 1 | 118.3 | ||||
| 203 | M | 46.5 | Very low | 47 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | 91.5 | 96.1 | 74.5 | -160.8 | 85.3 | -176.8 | 0 | 0 | 113.1 | |||||
| 204 | N | 46.7 | Very low | 47.8 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | 57.8 | 142.6 | 142.9 | -129.8 | 29.6 | 0 | 0 | 0 | 123.6 | ||||
| 205 | P | 59.8 | Low | 47.6 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | trans | -107.1 | 177.3 | -178.1 | 41.8 | -30.8 | 0 | 0 | 0 | 114 | ||||
| 206 | P | 57.7 | Low | 48 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -139.3 | 131.8 | 147.1 | 33.7 | -16.5 | 0 | 0 | 0 | 112.7 | ||||
| 207 | R | 46.5 | Very low | 47.5 | Very low | 254 Ų | 254 | 135.9 Ų | 135.9 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | 86.7 | 123.3 | 79.4 | -159 | 180 | -168.3 | 146.3 | 2.1 | 113.7 | |||||
| 208 | G | 45.2 | Very low | 47.1 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 132.1 | 133.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 209 | M | 46.9 | Very low | 47.2 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | cis | -171.4 | 133.8 | 12 | -162.4 | 142.6 | 153.7 | 0 | 0 | 105.1 | ||||
| 210 | G | 45.4 | Very low | 47.1 | Very low | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -79.3 | -175.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 211 | P | 58.5 | Low | 47.1 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | -134.7 | 121.4 | 111 | 33.8 | -20.9 | 0 | 0 | 0 | 111.1 | |||||
| 212 | M | 50.3 | Low | 47 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 98% | 0.975 | 80% | 0.802 | S | S | * | * | 63.8 | 101.7 | 91.2 | -78.2 | -132 | -179 | 0 | 0 | 114.5 | |||||
| 213 | G | 43.5 | Very low | 47.6 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -171.6 | 132.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 214 | P | 55.5 | Low | 47.7 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -89.6 | 141.5 | -146.4 | 10.2 | 7.5 | 0 | 0 | 0 | 114.2 | ||||
| 215 | G | 45.5 | Very low | 47.8 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -74.7 | -145.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 216 | P | 48.2 | Very low | 47.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | cis | -136.8 | -168.5 | -11.6 | 38.5 | -18.6 | 0 | 0 | 0 | 112.1 | ||||
| 217 | Q | 42.5 | Very low | 47 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | 138.4 | 91.7 | 154.8 | -74.6 | 157.8 | 9.5 | 0 | 0 | 108.6 | ||||
| 218 | N | 36.3 | Very low | 46.7 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | 63 | 146 | 58.3 | -153.8 | 9.5 | 0 | 0 | 0 | 114.3 | |||||
| 219 | Y | 39.8 | Very low | 46.5 | Very low | 224 Ų | 224 | 132.8 Ų | 132.8 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | 88.9 | 111 | -173.5 | -63.8 | -86.3 | 0 | 0 | 0 | 114.7 | ||||
| 220 | G | 42.6 | Very low | 46.4 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | 178.5 | 161.4 | 6.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 221 | S | 41.9 | Very low | 46.3 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 46.1 | 122.8 | 149.2 | 65.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 222 | G | 46.2 | Very low | 45.7 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 145.4 | 152.6 | 27.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 223 | M | 54.7 | Low | 45.3 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 96% | 0.956 | 79% | 0.787 | S | S | * | * | trans | 83.5 | 83 | 173.3 | -44.7 | -57.6 | -171.9 | 0 | 0 | 117.6 | ||||
| 224 | R | 47.2 | Very low | 45.6 | Very low | 232 Ų | 232 | 132.8 Ų | 132.8 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -73.4 | -179.2 | 140.9 | -126.4 | -177.1 | 118.9 | -143.9 | 5.2 | 108.5 | ||||
| 225 | P | 49.2 | Very low | 44.9 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 61% | 0.61 | 80% | 0.795 | S | S | * | * | cis | -138.1 | -142.2 | -17.5 | 31.9 | -6.2 | 0 | 0 | 0 | 110.3 | ||||
| 226 | P | 49.3 | Very low | 44.8 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | -124.2 | -174.5 | -50.2 | 23.6 | 0.8 | 0 | 0 | 0 | 113.8 | |||||
| 227 | P | 50.9 | Low | 44.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -93.9 | 169.2 | -169.8 | 37.1 | -32.6 | 0 | 0 | 0 | 116.6 | ||||
| 228 | N | 40.4 | Very low | 44.6 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 79.7 | 124.9 | 166.6 | -90.2 | 32.8 | 0 | 0 | 0 | 120.8 | ||||
| 229 | S | 41.4 | Very low | 45 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | 154.9 | 126.6 | 136.3 | 82.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 230 | L | 45.5 | Very low | 44.9 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | 172.6 | 131.7 | 72 | -84.7 | 138.6 | 0 | 0 | 0 | 106.7 | |||||
| 231 | G | 42.9 | Very low | 44.9 | Very low | 72 Ų | 72 | 131.4 Ų | 131.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | 117.6 | 163 | 104.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 232 | P | 46.5 | Very low | 44.7 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | -132.2 | 162.2 | -112.3 | 38.6 | -23.8 | 0 | 0 | 0 | 118.9 | |||||
| 233 | A | 41.5 | Very low | 44.3 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 59 | 120.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 234 | M | 50.2 | Low | 43.4 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -163 | 141.3 | 131.3 | -98.2 | -143.9 | 176.9 | 0 | 0 | 112.2 | ||||
| 235 | P | 39.5 | Very low | 43.2 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -98.8 | 143.1 | -179.5 | 36.9 | -28.8 | 0 | 0 | 0 | 112.2 | ||||
| 236 | G | 44.6 | Very low | 43.2 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -177 | 104 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 237 | I | 47.9 | Very low | 42.8 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | 83.8 | 101 | 137.7 | -53.3 | 144.7 | 0 | 0 | 0 | 118.5 | ||||
| 238 | N | 38.2 | Very low | 42.9 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | -56.7 | 127.3 | 154.6 | 169.2 | 55.2 | 0 | 0 | 0 | 113 | ||||
| 239 | M | 44.9 | Very low | 43 | Very low | 182 Ų | 182 | 132 Ų | 132 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -144.6 | 108.5 | 151.6 | -88.4 | -165.9 | 176.5 | 0 | 0 | 110.4 | ||||
| 240 | G | 38 | Very low | 43.5 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | 82.4 | 129.7 | 125.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 241 | P | 41.5 | Very low | 43.1 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -95.7 | 140.3 | -161.6 | 37.5 | -31.1 | 0 | 0 | 0 | 113.4 | ||||
| 242 | G | 37.9 | Very low | 42.9 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -173.9 | 44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 243 | A | 37.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -127.5 | 96.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | R245 | A243-R245 PolarHBondContact O-N 3.03Š| ||
| 244 | G | 37.1 | Very low | 42.5 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 245 | R | 41.7 | Very low | 42.1 | Very low | 228 Ų | 228 | 130.2 Ų | 130.2 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 142.2 | -169.8 | -60.3 | 164.8 | 175.3 | -86 | -1.2 | 111.5 | A243 | A243-R245 PolarHBondContact O-N 3.03Š|
| 246 | P | 49.9 | Very low | 42.4 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 132.9 | 160.5 | 32.2 | -27.1 | 0 | 0 | 0 | 108.8 | ||
| 247 | W | 39.8 | Very low | 42.4 | Very low | 247 Ų | 247 | 131.2 Ų | 131.2 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.8 | 177.4 | -71.8 | 88.4 | 0 | 0 | 0 | 111.3 | ||
| 248 | P | 53.5 | Low | 41.8 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 117 | 173.5 | 30.8 | -28.7 | 0 | 0 | 0 | 110.3 | ||
| 249 | N | 43.6 | Very low | 41.8 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 128.3 | 171.1 | -172.6 | 32.9 | 0 | 0 | 0 | 110.2 | N251 | N249-N251 PolarHBondContact O-N 3.42Š|
| 250 | P | 50.3 | Low | 41.4 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78 | 116.3 | 172.4 | 30 | -31 | 0 | 0 | 0 | 110.9 | S252 | P250-S252 PolarHBondContact O-N 2.89Å; P250-S252 VanDerWaalsContact O-N 3.11Å |
| 251 | N | 38.2 | Very low | 41.6 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 16.8 | 78.5 | 146.1 | -144.6 | 27.9 | 0 | 0 | 0 | 117.7 | N249 A253 | N249-N251 PolarHBondContact O-N 3.42Å; N251-A253 PolarHBondContact O-N 2.99Å | ||
| 252 | S | 38.9 | Very low | 41.2 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -86.7 | 95.4 | 159.6 | -75.8 | 0 | 0 | 0 | 0 | 109.2 | P250 N254 | P250-S252 PolarHBondContact O-N 2.89Å; P250-S252 VanDerWaalsContact O-N 3.11Å; S252-N254 PolarHBondContact O-N 3.28Å | ||
| 253 | A | 38.5 | Very low | 41.5 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -65.7 | 83.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | N251 | N251-A253 PolarHBondContact O-N 2.99Š| ||
| 254 | N | 41.1 | Very low | 41.6 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -149.7 | 59.3 | 159.9 | -95.7 | -16.1 | 0 | 0 | 0 | 108.1 | S252 | S252-N254 PolarHBondContact O-N 3.28Š| ||
| 255 | S | 42 | Very low | 41.6 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -102.7 | 94 | 163.2 | -165.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 256 | I | 44.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | trans | -80.7 | 117.6 | 159.9 | -59.1 | 172.9 | 0 | 0 | 0 | 105 | Y258 | I256-Y258 HydrophobicContact CG2-CD2 4.18Å; I256-Y258 HydrophobicContact CG2-CE2 3.98Å; I256-Y258 PolarHBondContact O-N 3.27Å; I256-Y258 VanDerWaalsContact O-N 3.13Å | ||
| 257 | P | 44.7 | Very low | 40.9 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 103.7 | 171.8 | 31 | -27.5 | 0 | 0 | 0 | 106.5 | S259 | P257-S259 PolarHBondContact O-N 2.83Š| ||
| 258 | Y | 35.1 | Very low | 41 | Very low | 210 Ų | 210 | 125 Ų | 125 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -74.1 | 80.5 | 159.5 | -81.4 | -76.1 | 0 | 0 | 0 | 107.8 | I256 S260 | I256-Y258 HydrophobicContact CG2-CD2 4.18Å; I256-Y258 HydrophobicContact CG2-CE2 3.98Å; I256-Y258 PolarHBondContact O-N 3.27Å; I256-Y258 VanDerWaalsContact O-N 3.13Å; Y258-S260 PolarHBondContact O-N 3.09Å | ||
| 259 | S | 38.9 | Very low | 40.6 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -64.5 | 121.7 | 161.9 | -68.7 | 0 | 0 | 0 | 0 | 108.6 | P257 | P257-S259 PolarHBondContact O-N 2.83Š| ||
| 260 | S | 36.8 | Very low | 40.6 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -30.4 | 127.3 | 164 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | Y258 | Y258-S260 PolarHBondContact O-N 3.09Š| ||
| 261 | S | 41.3 | Very low | 40.1 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -158.1 | 90.1 | 150.7 | -76 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 262 | S | 33.6 | Very low | 40 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -93.3 | 129.6 | 159.3 | -70.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 263 | P | 44.2 | Very low | 39.9 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -120.4 | 125.8 | 147 | 26.3 | -11.1 | 0 | 0 | 0 | 109.9 | ||||
| 264 | G | 40.6 | Very low | 39.7 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -80.8 | -155.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 265 | T | 36.1 | Very low | 40.1 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 91.2 | 89.5 | 162.8 | -44.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 266 | Y | 35.8 | Very low | 40.3 | Very low | 241 Ų | 241 | 118.5 Ų | 118.5 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | trans | -146.6 | 136.7 | 139.9 | -128.7 | -93.3 | 0 | 0 | 0 | 110.5 | ||||
| 267 | V | 41.9 | Very low | 40.2 | Very low | 130 Ų | 130 | 116.4 Ų | 116.4 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -111.8 | 135.6 | -156.7 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 268 | G | 40.6 | Very low | 39.9 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | 100.7 | 164.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 269 | P | 46.2 | Very low | 40.3 | Very low | 126 Ų | 126 | 113.5 Ų | 113.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -138.9 | -161.2 | -0.1 | 50.1 | -30.8 | 0 | 0 | 0 | 112.5 | ||||
| 270 | P | 42.8 | Very low | 40.9 | Very low | 128 Ų | 128 | 116.2 Ų | 116.2 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | -117.4 | 155.6 | -120.5 | 26.9 | -3.3 | 0 | 0 | 0 | 115.9 | |||||
| 271 | G | 39.4 | Very low | 41.4 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | 120.9 | 135.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 272 | G | 37.1 | Very low | 42.2 | Very low | 82 Ų | 82 | 118 Ų | 118 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 123.9 | 90.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 273 | G | 35.5 | Very low | 42.6 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -66.9 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 274 | G | 35.5 | Very low | 43 | Very low | 74 Ų | 74 | 117.3 Ų | 117.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | cis | -171.4 | 170.1 | 1.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 275 | P | 49.6 | Very low | 43 | Very low | 125 Ų | 125 | 117 Ų | 117 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 153.7 | -172.5 | 37.2 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 276 | P | 45.7 | Very low | 42.9 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | -156.7 | 162.3 | 87.2 | 38.6 | -18.5 | 0 | 0 | 0 | 116.1 | |||||
| 277 | G | 44.1 | Very low | 42.9 | Very low | 72 Ų | 72 | 112.3 Ų | 112.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 123.4 | 102.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116 | P279 | G277-P279 WeakPolarHBondContact O-CD 3.49Š| ||
| 278 | T | 38 | Very low | 42.8 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -61.9 | 123.9 | 164.8 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | I280 | T278-I280 PolarHBondContact O-N 3.36Š| ||
| 279 | P | 43.4 | Very low | 42.7 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -80 | 105.2 | 160 | 30.4 | -25.2 | 0 | 0 | 0 | 107.2 | G277 M281 | G277-P279 WeakPolarHBondContact O-CD 3.49Å; P279-M281 PolarHBondContact O-N 2.86Å | ||
| 280 | I | 50.2 | Low | 42.4 | Very low | 156 Ų | 156 | 114.4 Ų | 114.4 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -62.3 | 106.8 | 160.6 | -61.7 | 174.6 | 0 | 0 | 0 | 105.3 | T278 | T278-I280 PolarHBondContact O-N 3.36Š| ||
| 281 | M | 48.8 | Very low | 42.6 | Very low | 158 Ų | 158 | 112.9 Ų | 112.9 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 125.6 | 175 | -171.1 | 170.1 | 69.7 | 0 | 0 | 108.3 | P279 S283 | P279-M281 PolarHBondContact O-N 2.86Å; M281-S283 PolarHBondContact O-N 3.07Å |
| 282 | P | 58.4 | Low | 43.1 | Very low | 109 Ų | 109 | 115.1 Ų | 115.1 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.2 | 171.4 | 26.5 | -30.6 | 0 | 0 | 0 | 108.6 | ||
| 283 | S | 41.8 | Very low | 43.6 | Very low | 100 Ų | 100 | 116.3 Ų | 116.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132.6 | 169.8 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | M281 A285 | M281-S283 PolarHBondContact O-N 3.07Å; S283-A285 PolarHBondContact O-N 3.21Å |
| 284 | P | 52.2 | Low | 44.7 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | trans | -74.1 | 70.5 | 165.2 | 5.1 | 10.1 | 0 | 0 | 0 | 108.7 | ||||
| 285 | A | 39.9 | Very low | 45 | Very low | 66 Ų | 66 | 124.6 Ų | 124.6 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | trans | -105.9 | 136 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | S283 | S283-A285 PolarHBondContact O-N 3.21Š| ||
| 286 | D | 33.6 | Very low | 45.1 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | 78.2 | 66.3 | 172.5 | -44.8 | -38 | 0 | 0 | 0 | 116.1 | ||||
| 287 | S | 36.8 | Very low | 45.2 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -127.4 | 84 | 151.6 | -70.8 | 0 | 0 | 0 | 0 | 109.7 | N289 | S287-N289 PolarHBondContact O-N 3.1Š| ||
| 288 | T | 39.4 | Very low | 45.7 | Very low | 146 Ų | 146 | 128 Ų | 128 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | trans | -59.1 | 78.7 | 158.7 | 9.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 289 | N | 38.5 | Very low | 45.9 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -158.9 | 94 | 168 | -141.2 | -62.2 | 0 | 0 | 0 | 112.4 | S287 | S287-N289 PolarHBondContact O-N 3.1Š| ||
| 290 | S | 39.1 | Very low | 46 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | trans | 67.8 | 49.9 | 133.5 | -41.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 291 | S | 48.2 | Very low | 45.9 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | -95.8 | 2.5 | 167.2 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | N293 | S291-N293 PolarHBondContact O-N 2.79Š| ||
| 292 | D | 48.6 | Very low | 46 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 2.7 | 179.5 | -64.5 | -59.7 | 0 | 0 | 0 | 115.2 | T296 | D292-T296 PolarHBondContact O-OG1 2.83Å; D292-T296 VanDerWaalsContact O-OG1 3.1Å |
| 293 | N | 49 | Very low | 45.3 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 57% | 0.572 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -11.1 | -172.5 | -65.2 | -20.3 | 0 | 0 | 0 | 114.5 | S291 M297 | S291-N293 PolarHBondContact O-N 2.79Å; N293-M297 WeakPolarHBondContact O-CG 3.46Å |
| 294 | I | 58.3 | Low | 45 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 61% | 0.605 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -92.3 | -25.5 | -170.5 | -59.4 | 173.1 | 0 | 0 | 0 | 112.1 | ||
| 295 | Y | 41.5 | Very low | 44.4 | Very low | 220 Ų | 220 | 121 Ų | 121 | 86% | 0.863 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -87 | -9.9 | 176.9 | -73.8 | -77.4 | 0 | 0 | 0 | 114.1 | ||
| 296 | T | 52.2 | Low | 44.3 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -94.4 | -10.6 | -178 | -29.9 | 0 | 0 | 0 | 0 | 112.9 | D292 | D292-T296 PolarHBondContact O-OG1 2.83Å; D292-T296 VanDerWaalsContact O-OG1 3.1Å |
| 297 | M | 47.6 | Very low | 44.1 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -3.5 | -176 | -70.3 | -168.1 | -68.8 | 0 | 0 | 115.3 | N293 | N293-M297 WeakPolarHBondContact O-CG 3.46Š|
| 298 | I | 54.3 | Low | 44.3 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 1.5 | 176.2 | -69.9 | 162.4 | 0 | 0 | 0 | 111.9 | ||
| 299 | N | 42.9 | Very low | 44 | Very low | 118 Ų | 118 | 127 Ų | 127 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -102.8 | 125.5 | 166.9 | -117 | 7.8 | 0 | 0 | 0 | 108.6 | V301 | N299-V301 VanDerWaalsContact C-N 3.27Å; N299-V301 PolarHBondContact O-N 2.89Å |
| 300 | P | 44 | Very low | 44.1 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | trans | -77.2 | 82.7 | -178.7 | 32.5 | -31.8 | 0 | 0 | 0 | 108.8 | ||||
| 301 | V | 48.2 | Very low | 44.7 | Very low | 114 Ų | 114 | 130 Ų | 130 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | -131.7 | 110.2 | 172.2 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | N299 | N299-V301 VanDerWaalsContact C-N 3.27Å; N299-V301 PolarHBondContact O-N 2.89Å | ||
| 302 | P | 52.5 | Low | 44.6 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -70.4 | 145.2 | -176.1 | -11.2 | 25.4 | 0 | 0 | 0 | 111.8 | ||||
| 303 | P | 41.9 | Very low | 44.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -83.4 | 124 | 173.9 | 32.7 | -28.7 | 0 | 0 | 0 | 110 | ||
| 304 | G | 37.2 | Very low | 44.3 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 103.5 | 102.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 305 | G | 39 | Very low | 43.4 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 175.6 | 90.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 306 | S | 37.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 30.4 | 108.7 | 153.5 | -55.3 | 0 | 0 | 0 | 0 | 118.5 | S308 | S306-S308 PolarHBondContact O-N 3.4Š| ||
| 307 | R | 29.7 | Very low | 43.3 | Very low | 263 Ų | 263 | 128.5 Ų | 128.5 | 99% | 0.992 | 78% | 0.783 | S | S | * | * | trans | -47.7 | 112.6 | 153.4 | -75.5 | 175.3 | 164.9 | -173.4 | -4.6 | 109.9 | ||||
| 308 | S | 41.2 | Very low | 43 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -131.9 | 82.7 | 160.9 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | S306 | S306-S308 PolarHBondContact O-N 3.4Š| ||
| 309 | N | 32.4 | Very low | 42.5 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | 17.6 | 125.9 | 127.9 | -141.8 | 18.2 | 0 | 0 | 0 | 118 | |||||
| 310 | F | 40.2 | Very low | 42.7 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 76.6 | 129.7 | 159.1 | -61.5 | -63.9 | 0 | 0 | 0 | 120.3 | M312 | F310-M312 PolarHBondContact O-N 2.78Å; F310-M312 VanDerWaalsContact O-N 3.14Å | ||
| 311 | P | 53.2 | Low | 42.6 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 102.7 | 160.7 | 32.1 | -27.1 | 0 | 0 | 0 | 107.3 | G313 | P311-G313 VanDerWaalsContact C-N 3.25Å; P311-G313 PolarHBondContact O-N 2.82Å | ||
| 312 | M | 44.5 | Very low | 42.3 | Very low | 190 Ų | 190 | 122.9 Ų | 122.9 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -68.1 | 94.6 | 159.3 | -81.2 | -120.9 | -79.8 | 0 | 0 | 107.4 | F310 | F310-M312 PolarHBondContact O-N 2.78Å; F310-M312 VanDerWaalsContact O-N 3.14Å | ||
| 313 | G | 44.8 | Very low | 41.9 | Very low | 52 Ų | 52 | 126.5 Ų | 126.5 | 54% | 0.536 | 81% | 0.814 | S | S | . | * | trans | -60.4 | 165.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P311 G315 | P311-G313 VanDerWaalsContact C-N 3.25Å; P311-G313 PolarHBondContact O-N 2.82Å; G313-G315 PolarHBondContact O-N 3.06Å | ||
| 314 | P | 47.6 | Very low | 41.7 | Very low | 140 Ų | 140 | 124 Ų | 124 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -74 | 96.6 | -167 | 31.2 | -32 | 0 | 0 | 0 | 109.9 | S316 | P314-S316 PolarHBondContact O-N 3.14Š| ||
| 315 | G | 39.9 | Very low | 41.7 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -80.1 | 105.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G313 | G313-G315 PolarHBondContact O-N 3.06Š| ||
| 316 | S | 45.1 | Very low | 42.2 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -69.1 | 123.2 | 175.2 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | P314 | P314-S316 PolarHBondContact O-N 3.14Š| ||
| 317 | D | 45.1 | Very low | 42.4 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | trans | -123.1 | 98.4 | 162.2 | -95.7 | -46.3 | 0 | 0 | 0 | 110.3 | ||||
| 318 | G | 41.2 | Very low | 43.3 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 79.4 | 158.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 319 | P | 44.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -121.6 | 173.8 | -8.2 | 38.5 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 320 | M | 47.3 | Very low | 44.2 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | 76.5 | 107.2 | 163.1 | -66 | -150.3 | 175.7 | 0 | 0 | 119.3 | ||||
| 321 | G | 41.9 | Very low | 44.7 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | 94.3 | 91.1 | 100.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 322 | G | 41 | Very low | 44 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 76 | 154.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 323 | M | 44.4 | Very low | 43.9 | Very low | 193 Ų | 193 | 124.5 Ų | 124.5 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | cis | 179.6 | 128.9 | -0.8 | -177.3 | 167.7 | 159.4 | 0 | 0 | 104 | ||||
| 324 | G | 37.7 | Very low | 43.8 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 74.7 | 124.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 325 | G | 37 | Very low | 43.6 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | 84 | 92.9 | 41.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 326 | M | 50.1 | Low | 43.7 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | 165.8 | 92.1 | 154.5 | -91 | 156.3 | -164.7 | 0 | 0 | 109.2 | ||||
| 327 | E | 41.7 | Very low | 43.4 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -64.4 | 147 | 143.3 | -139.9 | -169.4 | 128.6 | 0 | 0 | 106.3 | ||||
| 328 | P | 48.9 | Very low | 43.8 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 49% | 0.494 | 80% | 0.799 | S | S | . | * | -164.3 | 166.7 | 93.5 | 42.9 | -22.8 | 0 | 0 | 0 | 118.8 | |||||
| 329 | H | 45.7 | Very low | 43.9 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 76 | 152.8 | 154.8 | -49.7 | -46 | 0 | 0 | 0 | 115.8 | ||||
| 330 | H | 46.8 | Very low | 44.5 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | cis | -173.4 | 139.7 | 39.2 | 13.3 | -94.8 | 0 | 0 | 0 | 113.3 | ||||
| 331 | M | 50 | Low | 44.6 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | 57.6 | 116.8 | 142.6 | -63.5 | -173.9 | -179.7 | 0 | 0 | 121.9 | ||||
| 332 | N | 38.9 | Very low | 44.5 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | 91.6 | 135 | 65.4 | -170.3 | 36.8 | 0 | 0 | 0 | 115.6 | |||||
| 333 | G | 42.1 | Very low | 45.1 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 149.3 | 79.5 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 334 | S | 43.8 | Very low | 45.3 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | 80.4 | 98.7 | 68.1 | -163.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 335 | L | 42.2 | Very low | 45.5 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | 77.6 | 123.8 | 106.7 | -65.9 | 174.8 | 0 | 0 | 0 | 116.9 | |||||
| 336 | G | 42.9 | Very low | 45.6 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -166.3 | 85.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 337 | S | 39.4 | Very low | 45.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -74.9 | 146.4 | 168.1 | -156.1 | 0 | 0 | 0 | 0 | 110 | D339 | S337-D339 PolarHBondContact OG-OD2 2.95Š| ||
| 338 | G | 52.6 | Low | 45.4 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -160.1 | 66.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 339 | D | 43 | Very low | 45.2 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -55.2 | 139.3 | 167.7 | -48.9 | -90.3 | 0 | 0 | 0 | 110.8 | S337 | S337-D339 PolarHBondContact OG-OD2 2.95Š| ||
| 340 | I | 58.2 | Low | 44.9 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -176.1 | 112.6 | 146.4 | -94.5 | 151.1 | 0 | 0 | 0 | 110.5 | ||||
| 341 | D | 48.5 | Very low | 45 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 62.3 | 108.4 | 138.9 | -59.9 | -45.9 | 0 | 0 | 0 | 122.6 | ||||
| 342 | G | 39.6 | Very low | 44.4 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | 105.7 | 95.2 | 106.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 343 | L | 53.5 | Low | 44.4 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | 159.3 | 107 | 120.8 | -81.6 | 164.6 | 0 | 0 | 0 | 112.1 | |||||
| 344 | P | 48.3 | Very low | 44.5 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | -100.5 | 152.3 | 151.9 | 35.3 | -26.2 | 0 | 0 | 0 | 110.2 | ||||
| 345 | K | 42.4 | Very low | 44.1 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 140.9 | 132.4 | 165.3 | -81.9 | 156.7 | -166 | -176 | 0 | 110.7 | ||||
| 346 | N | 40.2 | Very low | 44 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | cis | -164.5 | 150.4 | 19.9 | -87.1 | -43.1 | 0 | 0 | 0 | 112.2 | ||||
| 347 | S | 37.9 | Very low | 44.3 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -75.5 | -158.8 | 169.4 | -46.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 348 | P | 48.2 | Very low | 44.6 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -142.4 | 178.2 | -8.5 | 38.6 | -17.4 | 0 | 0 | 0 | 116.5 | ||||
| 349 | N | 46 | Very low | 43.8 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 151.5 | 99.7 | 146.2 | -77.9 | -16.6 | 0 | 0 | 0 | 108.9 | ||||
| 350 | N | 38 | Very low | 43.8 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | 49.6 | 104 | 60.5 | -157.6 | 20.3 | 0 | 0 | 0 | 116.3 | |||||
| 351 | I | 48.6 | Very low | 43.6 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 167.2 | 85.8 | 146.7 | -87.9 | 152.1 | 0 | 0 | 0 | 105.6 | ||||
| 352 | S | 37.5 | Very low | 43.7 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 63.1 | 109 | 96.2 | 66.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 353 | G | 38.9 | Very low | 43.9 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 158.1 | 84.4 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 354 | I | 44.8 | Very low | 43.5 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 80.1 | 93.9 | 151.1 | -59.6 | 135.6 | 0 | 0 | 0 | 116.4 | ||||
| 355 | S | 35.8 | Very low | 43.3 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -33.3 | 132.7 | 150.6 | -47.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 356 | N | 41 | Very low | 43 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -159.6 | 124.4 | 133.6 | -103.9 | -3 | 0 | 0 | 0 | 109.7 | ||||
| 357 | P | 49.1 | Very low | 43.5 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -73.4 | 152.7 | 179.1 | 31.7 | -33.1 | 0 | 0 | 0 | 110.5 | G359 | P357-G359 PolarHBondContact O-N 2.91Š| ||
| 358 | P | 43.9 | Very low | 43.6 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 88.8 | -179.9 | 31 | -32.1 | 0 | 0 | 0 | 110 | ||||
| 359 | G | 37.4 | Very low | 43 | Very low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -119 | 116.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P357 | P357-G359 PolarHBondContact O-N 2.91Š| ||
| 360 | T | 41.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | 31.5 | 118.7 | 162.2 | 60.3 | 0 | 0 | 0 | 0 | 119 | R362 | T360-R362 PolarHBondContact O-N 3.38Š| ||
| 361 | P | 53.9 | Low | 42.8 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 109 | 158.1 | -11.8 | 28.1 | 0 | 0 | 0 | 108.9 | ||||
| 362 | R | 51.9 | Low | 42.4 | Very low | 217 Ų | 217 | 133.7 Ų | 133.7 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -78 | 136.3 | 167.9 | -167.8 | 174.9 | -176.3 | 122.2 | -2.2 | 107.6 | T360 D364 | T360-R362 PolarHBondContact O-N 3.38Å; R362-D364 PolarHBondContact O-N 3.33Å | ||
| 363 | D | 42.3 | Very low | 42.4 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -49.2 | 118.8 | 171.5 | -131.5 | -83.3 | 0 | 0 | 0 | 110.8 | ||||
| 364 | D | 45.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -158.9 | 119.8 | 169.8 | -88.1 | -57 | 0 | 0 | 0 | 110.2 | R362 | R362-D364 PolarHBondContact O-N 3.33Š| ||
| 365 | G | 44.5 | Very low | 42.5 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | 121.1 | 74.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | L367 | G365-L367 PolarHBondContact O-N 2.77Å; G365-L367 VanDerWaalsContact O-N 3.09Å | ||
| 366 | E | 37 | Very low | 42.6 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -43.9 | 107.5 | 147.7 | -72.3 | 173 | 95.5 | 0 | 0 | 111.2 | ||||
| 367 | L | 50 | Low | 42.3 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -147.9 | 107.4 | 164.4 | -78.2 | 179.9 | 0 | 0 | 0 | 111.6 | G365 | G365-L367 PolarHBondContact O-N 2.77Å; G365-L367 VanDerWaalsContact O-N 3.09Å | ||
| 368 | G | 39.8 | Very low | 42 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | 74.2 | 111.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 369 | G | 34.8 | Very low | 41.6 | Very low | 60 Ų | 60 | 143.2 Ų | 143.2 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | cis | 116.6 | 107.1 | 45.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 370 | N | 34.9 | Very low | 41.7 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 45.3 | 110 | 142 | -50 | -31.1 | 0 | 0 | 0 | 117.7 | ||||
| 371 | F | 46.8 | Very low | 41.3 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 93% | 0.934 | 80% | 0.802 | S | S | * | * | -165.2 | 97.6 | 129.2 | -71.5 | -57.7 | 0 | 0 | 0 | 110 | |||||
| 372 | L | 39.6 | Very low | 41.3 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 157.2 | 155.4 | -80.5 | 167.4 | 0 | 0 | 0 | 109.9 | ||||
| 373 | H | 38.2 | Very low | 40.5 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | 96.1 | 134.7 | 174.1 | -66.3 | -166.3 | 0 | 0 | 0 | 114.7 | ||||
| 374 | S | 36.6 | Very low | 40.9 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 46% | 0.462 | 79% | 0.786 | S | S | . | * | cis | -163.3 | 142.7 | 19 | -94.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 375 | F | 47.1 | Very low | 40.9 | Very low | 214 Ų | 214 | 141.4 Ų | 141.4 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -175.1 | 75 | 136.5 | -60.6 | -59.9 | 0 | 0 | 0 | 106 | ||||
| 376 | Q | 38.3 | Very low | 40.9 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | 19.4 | 138.3 | 92.9 | -77.9 | 173.9 | -26.8 | 0 | 0 | 114.8 | |||||
| 377 | N | 34.9 | Very low | 40.7 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | cis | 176.3 | 114.6 | -10.3 | 175.9 | 5.2 | 0 | 0 | 0 | 102 | ||||
| 378 | D | 42.2 | Very low | 40.1 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -139.6 | 92.8 | 164.2 | -84.5 | -52.9 | 0 | 0 | 0 | 110.6 | ||||
| 379 | N | 36 | Very low | 40.2 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 120.8 | 172.5 | -166.5 | 19.3 | 0 | 0 | 0 | 109.3 | ||||
| 380 | Y | 39.3 | Very low | 40.4 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -148.8 | 94.6 | 161.5 | -124.9 | -87 | 0 | 0 | 0 | 111.5 | ||||
| 381 | S | 34.1 | Very low | 40.8 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -79.9 | 144.8 | 151.4 | -80.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 382 | P | 54.3 | Low | 40.4 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 108.1 | 135.7 | 28.6 | -12 | 0 | 0 | 0 | 110.9 | M384 | P382-M384 PolarHBondContact O-N 2.88Š| ||
| 383 | S | 33.9 | Very low | 40.5 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -41.2 | 124.1 | 136 | 163.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 384 | M | 51 | Low | 40.6 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -174.7 | 89.7 | 160 | -98 | 156.5 | -165.9 | 0 | 0 | 106.1 | P382 | P382-M384 PolarHBondContact O-N 2.88Š| ||
| 385 | T | 45.9 | Very low | 40.9 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | 60.7 | 131.7 | 88.2 | -156.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 386 | M | 44.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 146 Ų | 146 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 87.5 | 100.9 | 163.2 | -60.7 | -61 | -170.5 | 0 | 0 | 120 | ||||
| 387 | S | 33 | Very low | 40.6 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | 63.3 | 99.9 | 119.3 | -51.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 388 | V | 38.4 | Very low | 41.1 | Very low | 222 Ų | 222 | 146 Ų | 146 | 100% | 1.345 | 82% | 0.82 | S | S | * | * | -162.5 | 0 | 114.8 | 165.9 | 0 | 0 | 0 | 0 | 108 |
Retrieved 388 of 388 residues in 62.4 ms
(Link to these results)