| 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 | 40.3 | Very low | 52.7 | Low | 239 Ų | 239 | 139.4 Ų | 139.4 | 100% | 1.177 | 81% | 0.81 | S | S | * | * | 0 | 104.8 | 0 | -72 | 159.7 | 83.1 | 0 | 0 | 107.2 | |||||
| 2 | Y | 37.8 | Very low | 55.4 | Low | 239 Ų | 239 | 132.6 Ų | 132.6 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | trans | -78.8 | 124.8 | 178 | -64.4 | -79.9 | 0 | 0 | 0 | 108.6 | K4 | Y2-K4 PolarHBondContact O-N 3.43Å; Y2-K4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | G | 46.7 | Very low | 57.9 | Low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -58.1 | 114.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G5 | G3-G5 PolarHBondContact O-N 3.48Š| ||
| 4 | K | 46.3 | Very low | 60 | Low | 209 Ų | 209 | 128.1 Ų | 128.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -53.2 | 111.2 | 173.3 | -170.8 | 171.7 | -179.5 | 176.5 | 0 | 107.9 | Y2 K6 | Y2-K4 PolarHBondContact O-N 3.43Å; Y2-K4 VanDerWaalsContact O-N 3.12Å; K4-K6 PolarHBondContact O-N 3.35Å | ||
| 5 | G | 50.3 | Low | 61.9 | Low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | trans | -51.1 | 130.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G3 G7 | G3-G5 PolarHBondContact O-N 3.48Å; G5-G7 PolarHBondContact O-N 3.3Å | ||
| 6 | K | 49.4 | Very low | 63.7 | Low | 212 Ų | 212 | 121.6 Ų | 121.6 | 92% | 0.922 | 71% | 0.712 | S | S | * | * | trans | -54.4 | 111.2 | 169.8 | -68.9 | -179.8 | 176.9 | -179.6 | 0 | 106.3 | K4 A8 | K4-K6 PolarHBondContact O-N 3.35Å; K6-A8 PolarHBondContact O-N 3.42Å | ||
| 7 | G | 44.8 | Very low | 65.2 | Low | 61 Ų | 61 | 125.7 Ų | 125.7 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | -52.1 | 132.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G5 V9 | G5-G7 PolarHBondContact O-N 3.3Å; G7-V9 VanDerWaalsContact C-N 3.25Å; G7-V9 PolarHBondContact O-N 3.32Å | ||
| 8 | A | 55.7 | Low | 66.7 | Low | 103 Ų | 103 | 122.6 Ų | 122.6 | 85% | 0.851 | 69% | 0.692 | S | S | * | * | trans | -62 | 95.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | K6 V10 | K6-A8 PolarHBondContact O-N 3.42Å; A8-V10 PolarHBondContact O-N 3.45Å | ||
| 9 | V | 63.5 | Low | 68 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.6 | 170.2 | 173.5 | 0 | 0 | 0 | 0 | 105.6 | G7 | G7-V9 VanDerWaalsContact C-N 3.25Å; G7-V9 PolarHBondContact O-N 3.32Å |
| 10 | V | 69.9 | Low | 69.3 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 125.3 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | A8 S12 | A8-V10 PolarHBondContact O-N 3.45Å; V10-S12 PolarHBondContact O-N 3.4Å |
| 11 | P | 74.8 | Confident | 70.5 | Confident | 81 Ų | 81 | 116.1 Ų | 116.1 | 53% | 0.526 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 133.7 | -179.1 | 22.9 | -31.3 | 0 | 0 | 0 | 109 | Q15 | P11-Q15 HydrophobicContact CB-CB 4.3Š|
| 12 | S | 84.9 | Confident | 73 | Confident | 58 Ų | 58 | 106.1 Ų | 106.1 | 41% | 0.406 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 155 | 173.5 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | V10 S14 Q15 A16 | V10-S12 PolarHBondContact O-N 3.4Å; S12-S14 PolarHBondContact O-N 3.41Å; S12-Q15 WeakPolarHBondContact O-CA 3.16Å; S12-Q15 WeakPolarHBondContact O-CB 3.25Å; S12-Q15 PolarHBondContact O-N 3.49Å; S12-A16 PolarHBondContact O-N 2.96Å |
| 13 | D | 88.2 | Confident | 75.7 | Confident | 132 Ų | 132 | 97.4 Ų | 97.4 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -53.4 | -32.5 | 177.8 | -69.9 | -47.7 | 0 | 0 | 0 | 112.7 | A16 R17 | D13-A16 PolarHBondContact O-N 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.38Å; D13-R17 VanDerWaalsContact O-CG 3.22Å; D13-R17 WeakPolarHBondContact O-CG 3.48Å; D13-R17 PolarHBondContact O-N 3.17Å |
| 14 | S | 87.1 | Confident | 78 | Confident | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 112 | S12 A16 R17 E18 | S12-S14 PolarHBondContact O-N 3.41Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.05Å; S14-R17 PolarHBondContact O-N 3.42Å; S14-E18 WeakPolarHBondContact O-CG 3.23Å; S14-E18 PolarHBondContact O-N 3.32Å |
| 15 | Q | 88.8 | Confident | 80.3 | Confident | 102 Ų | 102 | 87.2 Ų | 87.2 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 176.7 | -67.7 | 175.4 | 10.3 | 0 | 0 | 111.8 | P11 S12 E18 K19 | P11-Q15 HydrophobicContact CB-CB 4.3Å; S12-Q15 WeakPolarHBondContact O-CA 3.16Å; S12-Q15 WeakPolarHBondContact O-CB 3.25Å; S12-Q15 PolarHBondContact O-N 3.49Å; Q15-E18 PolarHBondContact O-N 3.17Å; Q15-K19 WeakPolarHBondContact O-CB 3.38Å; Q15-K19 WeakPolarHBondContact O-CG 3.5Å; Q15-K19 PolarHBondContact O-N 3.06Å |
| 16 | A | 90.5 | Very high | 82.3 | Confident | 49 Ų | 49 | 84.7 Ų | 84.7 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S12 D13 S14 K19 L20 | S12-A16 PolarHBondContact O-N 2.96Å; D13-A16 PolarHBondContact O-N 3.28Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.05Å; A16-K19 PolarHBondContact O-N 2.88Å; A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.47Å; A16-L20 PolarHBondContact O-N 2.94Å |
| 17 | R | 90.2 | Very high | 84.5 | Confident | 192 Ų | 192 | 78.9 Ų | 78.9 | 73% | 0.725 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.1 | -43.5 | 176 | -73.7 | 171.6 | -175.6 | -152.8 | 1.5 | 112.2 | D13 S14 L20 A21 | D13-R17 WeakPolarHBondContact O-CB 3.38Å; D13-R17 VanDerWaalsContact O-CG 3.22Å; D13-R17 WeakPolarHBondContact O-CG 3.48Å; D13-R17 PolarHBondContact O-N 3.17Å; S14-R17 PolarHBondContact O-N 3.42Å; R17-L20 PolarHBondContact O-N 3.19Å; R17-A21 WeakPolarHBondContact O-CB 3.4Å; R17-A21 PolarHBondContact O-N 3.16Å |
| 18 | E | 91.3 | Very high | 86.8 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.5 | -71.3 | -178.8 | 173.7 | 0 | 0 | 112 | S14 Q15 A21 L22 W46 K48 | S14-E18 WeakPolarHBondContact O-CG 3.23Å; S14-E18 PolarHBondContact O-N 3.32Å; Q15-E18 PolarHBondContact O-N 3.17Å; E18-A21 PolarHBondContact O-N 3.4Å; E18-L22 PolarHBondContact O-N 3.13Å; E18-L22 VanDerWaalsContact O-N 3.12Å; E18-W46 HydrophobicContact CB-CH2 4.25Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 VanDerWaalsContact O-CH2 3.31Å; E18-W46 WeakPolarHBondContact O-CH2 3.44Å; E18-K48 IonicContact OE1-NZ 2.68Å; E18-K48 PolarHBondContact OE1-NZ 2.66Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.68Å |
| 19 | K | 91.6 | Very high | 88.6 | Confident | 120 Ų | 120 | 73.7 Ų | 73.7 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.5 | -75.6 | -68.9 | -174.4 | 178.9 | 0 | 111.9 | Q15 A16 L22 Y23 | Q15-K19 WeakPolarHBondContact O-CB 3.38Å; Q15-K19 WeakPolarHBondContact O-CG 3.5Å; Q15-K19 PolarHBondContact O-N 3.06Å; A16-K19 PolarHBondContact O-N 2.88Å; K19-L22 PolarHBondContact O-N 2.99Å; K19-Y23 HydrophobicContact CB-CE2 4.14Å; K19-Y23 WeakPolarHBondContact O-CD2 3.47Å; K19-Y23 VanDerWaalsContact O-CG 3.31Å; K19-Y23 PolarHBondContact O-N 3.29Å |
| 20 | L | 93.6 | Very high | 89.9 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.3 | -179.7 | 61.9 | 0 | 0 | 0 | 111.3 | A16 R17 L22 Y23 V24 L59 | A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.47Å; A16-L20 PolarHBondContact O-N 2.94Å; R17-L20 PolarHBondContact O-N 3.19Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 2.85Å; L20-Y23 PolarHBondContact O-N 3.22Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 VanDerWaalsContact O-CG2 3.32Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 3.06Å; L20-L59 HydrophobicContact CD1-CD1 4.38Å |
| 21 | A | 94.3 | Very high | 91 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 12% | 0.124 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R17 E18 Y23 V24 Y25 F40 I44 W46 | R17-A21 WeakPolarHBondContact O-CB 3.4Å; R17-A21 PolarHBondContact O-N 3.16Å; E18-A21 PolarHBondContact O-N 3.4Å; A21-Y23 PolarHBondContact O-N 2.95Å; A21-V24 PolarHBondContact O-N 3.24Å; A21-Y25 PolarHBondContact O-N 3.24Å; A21-F40 HydrophobicContact CB-CE1 4.29Å; A21-F40 HydrophobicContact CB-CZ 4.12Å; A21-F40 WeakPolarHBondContact O-CE1 3.19Å; A21-I44 HydrophobicContact CB-CD1 3.96Å; A21-W46 HydrophobicContact CB-CE3 4.35Å; A21-W46 HydrophobicContact CB-CZ3 3.88Å |
| 22 | L | 93.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 175.6 | -174.6 | 144.9 | 0 | 0 | 0 | 112.1 | E18 K19 L20 Y25 E26 W46 | E18-L22 PolarHBondContact O-N 3.13Å; E18-L22 VanDerWaalsContact O-N 3.12Å; K19-L22 PolarHBondContact O-N 2.99Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 2.85Å; L22-Y25 PolarHBondContact O-N 3.49Å; L22-E26 PolarHBondContact O-N 3.48Å; L22-W46 HydrophobicContact CB-CH2 4.42Å; L22-W46 HydrophobicContact CB-CZ2 4.43Å; L22-W46 HydrophobicContact CD1-CZ2 4.39Å |
| 23 | Y | 93.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.1 | -31.2 | 179.3 | -58.9 | -44.4 | 0 | 0 | 0 | 113.3 | K19 L20 A21 Y27 F58 | K19-Y23 HydrophobicContact CB-CE2 4.14Å; K19-Y23 WeakPolarHBondContact O-CD2 3.47Å; K19-Y23 VanDerWaalsContact O-CG 3.31Å; K19-Y23 PolarHBondContact O-N 3.29Å; L20-Y23 PolarHBondContact O-N 3.22Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; A21-Y23 PolarHBondContact O-N 2.95Å; Y23-Y27 WeakPolarHBondContact O-CB 3.33Å; Y23-Y27 PolarHBondContact O-N 3.25Å; Y23-F58 HydrophobicContact CD1-CB 3.73Å; Y23-F58 AromaticContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CG 4.01Å; Y23-F58 AromaticContact CD2-CD1 3.48Å; Y23-F58 HydrophobicContact CD2-CD1 3.48Å; Y23-F58 VanDerWaalsContact CD2-CD1 3.48Å; Y23-F58 AromaticContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CG 4.44Å; Y23-F58 HydrophobicContact CE1-CB 3.78Å; Y23-F58 AromaticContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CE1 4.49Å; Y23-F58 AromaticContact CE1-CG 3.77Å; Y23-F58 HydrophobicContact CE1-CG 3.77Å; Y23-F58 AromaticContact CE2-CD1 3.4Å; Y23-F58 HydrophobicContact CE2-CD1 3.4Å; Y23-F58 AromaticContact CE2-CE1 3.44Å; Y23-F58 HydrophobicContact CE2-CE1 3.44Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.44Å; Y23-F58 HydrophobicContact CE2-CG 4.2Å; Y23-F58 HydrophobicContact CE2-CZ 4.27Å; Y23-F58 HydrophobicContact CG-CB 4.33Å; Y23-F58 AromaticContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CE1 4.47Å; Y23-F58 HydrophobicContact CG-CG 4.36Å; Y23-F58 AromaticContact CZ-CD1 3.54Å; Y23-F58 AromaticContact CZ-CE1 3.83Å; Y23-F58 AromaticContact CZ-CG 3.86Å |
| 24 | V | 94.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 64.2 Ų | 64.2 | 24% | 0.242 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 172 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L20 A21 Y27 L28 F40 L59 | L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 VanDerWaalsContact O-CG2 3.32Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 3.06Å; A21-V24 PolarHBondContact O-N 3.24Å; V24-Y27 WeakPolarHBondContact O-CB 3.49Å; V24-Y27 PolarHBondContact O-N 2.92Å; V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 HydrophobicContact CG1-CG 4.47Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.31Å; V24-L28 PolarHBondContact O-N 2.87Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.39Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å |
| 25 | Y | 94.3 | Very high | 93 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 13% | 0.129 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 174.7 | 174 | -101.7 | 0 | 0 | 0 | 112 | A21 L22 Y27 L28 L29 A37 L41 I50 L52 | A21-Y25 PolarHBondContact O-N 3.24Å; L22-Y25 PolarHBondContact O-N 3.49Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 3.26Å; Y25-L28 PolarHBondContact O-N 3.45Å; Y25-L29 HydrophobicContact CD1-CD1 4.07Å; Y25-L29 HydrophobicContact CE1-CD1 3.38Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CD2 4.39Å; Y25-L29 HydrophobicContact CE2-CG 4.28Å; Y25-L29 PolarHBondContact O-N 3Å; Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.31Å; Y25-A37 HydrophobicContact CE2-CB 3.63Å; Y25-A37 WeakPolarHBondContact CE2-O 3.46Å; Y25-L41 HydrophobicContact CD2-CD1 3.66Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.32Å; Y25-L41 HydrophobicContact CE2-CD1 3.26Å; Y25-L41 HydrophobicContact CE2-CD2 4.27Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.33Å; Y25-L41 HydrophobicContact CG-CD2 3.94Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CD1 3.83Å; Y25-I50 HydrophobicContact CD1-CG2 3.78Å; Y25-I50 HydrophobicContact CE1-CB 4.46Å; Y25-I50 HydrophobicContact CE1-CD1 3.58Å; Y25-I50 HydrophobicContact CE1-CG2 3.7Å; Y25-I50 HydrophobicContact CG-CD1 4.41Å; Y25-L52 HydrophobicContact CD1-CD2 4.18Å; Y25-L52 HydrophobicContact CE1-CD2 3.95Å |
| 26 | E | 93.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56 | -46.3 | 174.7 | 178.7 | -176.5 | -128.1 | 0 | 0 | 111.4 | L22 L28 L29 H30 L52 G53 F58 | L22-E26 PolarHBondContact O-N 3.48Å; E26-L28 PolarHBondContact O-N 3.18Å; E26-L29 PolarHBondContact O-N 2.97Å; E26-H30 VanDerWaalsContact CG-CE1 3.42Å; E26-H30 WeakPolarHBondContact CG-CE1 3.3Å; E26-H30 PolarHBondContact O-N 3.38Å; E26-H30 IonicContact OE1-CE1 3.84Å; E26-L52 HydrophobicContact CB-CD2 4.37Å; E26-L52 HydrophobicContact CG-CD2 4.49Å; E26-G53 VanDerWaalsContact OE1-CA 3.25Å; E26-G53 WeakPolarHBondContact OE1-CA 3.38Å; E26-G53 PolarHBondContact OE1-N 2.73Å; E26-F58 PolarHBondContact OE2-N 3.35Å |
| 27 | Y | 94 | Very high | 93.6 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 35% | 0.349 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 176.8 | 171.2 | -103.7 | 0 | 0 | 0 | 112.1 | Y23 V24 Y25 L29 H30 V31 L59 H60 | Y23-Y27 WeakPolarHBondContact O-CB 3.33Å; Y23-Y27 PolarHBondContact O-N 3.25Å; V24-Y27 WeakPolarHBondContact O-CB 3.49Å; V24-Y27 PolarHBondContact O-N 2.92Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 3.26Å; Y27-L29 PolarHBondContact O-N 3.42Å; Y27-H30 PolarHBondContact O-N 2.93Å; Y27-H30 VanDerWaalsContact O-N 3.13Å; Y27-V31 HydrophobicContact CD2-CG1 3.9Å; Y27-V31 HydrophobicContact CE1-CG1 4.18Å; Y27-V31 HydrophobicContact CE1-CG2 4.37Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.49Å; Y27-V31 WeakPolarHBondContact O-CG2 3.46Å; Y27-V31 PolarHBondContact O-N 3.41Å; Y27-L59 HydrophobicContact CG-CD2 4.26Å; Y27-H60 HydrophobicContact CD2-CB 4.29Å; Y27-H60 AromaticContact CE2-ND1 3.99Å |
| 28 | L | 94.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -37.1 | 178.7 | -71.7 | 171.2 | 0 | 0 | 0 | 111.8 | V24 Y25 E26 V31 G32 A33 A37 F40 | V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 HydrophobicContact CG1-CG 4.47Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.31Å; V24-L28 PolarHBondContact O-N 2.87Å; Y25-L28 PolarHBondContact O-N 3.45Å; E26-L28 PolarHBondContact O-N 3.18Å; L28-V31 WeakPolarHBondContact O-CG2 3.42Å; L28-G32 PolarHBondContact O-N 2.98Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.1Å; L28-A33 CarbonylContact O-C 3.55Å; L28-A33 WeakPolarHBondContact O-CA 3.42Å; L28-A33 WeakPolarHBondContact O-CB 3.39Å; L28-A33 PolarHBondContact O-N 3.37Å; L28-A37 HydrophobicContact CB-CB 3.75Å; L28-A37 HydrophobicContact CD1-CB 4.47Å; L28-F40 HydrophobicContact CD1-CB 4.18Å; L28-F40 HydrophobicContact CD1-CD1 4.47Å; L28-F40 HydrophobicContact CD1-CG 4.34Å |
| 29 | L | 92.4 | Very high | 93.9 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 174.4 | -68.8 | 179.4 | 0 | 0 | 0 | 112.2 | Y25 E26 Y27 V31 G32 Q34 A37 L52 | Y25-L29 HydrophobicContact CD1-CD1 4.07Å; Y25-L29 HydrophobicContact CE1-CD1 3.38Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CD2 4.39Å; Y25-L29 HydrophobicContact CE2-CG 4.28Å; Y25-L29 PolarHBondContact O-N 3Å; E26-L29 PolarHBondContact O-N 2.97Å; Y27-L29 PolarHBondContact O-N 3.42Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.34Å; L29-G32 PolarHBondContact O-N 2.91Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.29Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.25Å; L29-Q34 PolarHBondContact O-NE2 2.85Å; L29-A37 HydrophobicContact CD2-CB 3.75Å; L29-A37 HydrophobicContact CG-CB 4.13Å; L29-L52 HydrophobicContact CD1-CD1 3.63Å; L29-L52 HydrophobicContact CD1-CD2 3.56Å; L29-L52 HydrophobicContact CD1-CG 4.25Å |
| 30 | H | 91.1 | Very high | 94.1 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -32.4 | -178.3 | -70.5 | 157.9 | 0 | 0 | 0 | 113.4 | E26 Y27 G32 P56 G57 | E26-H30 VanDerWaalsContact CG-CE1 3.42Å; E26-H30 WeakPolarHBondContact CG-CE1 3.3Å; E26-H30 PolarHBondContact O-N 3.38Å; E26-H30 IonicContact OE1-CE1 3.84Å; Y27-H30 PolarHBondContact O-N 2.93Å; Y27-H30 VanDerWaalsContact O-N 3.13Å; H30-G32 PolarHBondContact O-N 3.17Å; H30-P56 VanDerWaalsContact ND1-C 3.3Å; H30-P56 PolarHBondContact ND1-O 3.28Å; H30-P56 VanDerWaalsContact ND1-O 3.16Å; H30-G57 WeakPolarHBondContact ND1-CA 3.12Å; H30-G57 PolarHBondContact ND1-N 3.33Å |
| 31 | V | 93.5 | Very high | 94.1 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.7 | 174 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | Y27 L28 L29 A33 | Y27-V31 HydrophobicContact CD2-CG1 3.9Å; Y27-V31 HydrophobicContact CE1-CG1 4.18Å; Y27-V31 HydrophobicContact CE1-CG2 4.37Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.49Å; Y27-V31 WeakPolarHBondContact O-CG2 3.46Å; Y27-V31 PolarHBondContact O-N 3.41Å; L28-V31 WeakPolarHBondContact O-CG2 3.42Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.34Å; V31-A33 HydrophobicContact CG2-CB 4Å |
| 32 | G | 92.6 | Very high | 94 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 7.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L28 L29 H30 Q34 | L28-G32 PolarHBondContact O-N 2.98Å; L29-G32 PolarHBondContact O-N 2.91Å; H30-G32 PolarHBondContact O-N 3.17Å; G32-Q34 PolarHBondContact O-N 3.25Å |
| 33 | A | 94.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | trans | -82.2 | 54.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 V31 K35 S36 A37 | L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.1Å; L28-A33 CarbonylContact O-C 3.55Å; L28-A33 WeakPolarHBondContact O-CA 3.42Å; L28-A33 WeakPolarHBondContact O-CB 3.39Å; L28-A33 PolarHBondContact O-N 3.37Å; V31-A33 HydrophobicContact CG2-CB 4Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.93Å; A33-S36 PolarHBondContact O-N 3.42Å; A33-A37 PolarHBondContact O-N 2.83Å | ||
| 34 | Q | 93.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 65.8 Ų | 65.8 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | -173 | -64.9 | -67.6 | -48 | 0 | 0 | 113.4 | L29 G32 A37 Q38 | L29-Q34 VanDerWaalsContact CD2-NE2 3.29Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.25Å; L29-Q34 PolarHBondContact O-NE2 2.85Å; G32-Q34 PolarHBondContact O-N 3.25Å; Q34-A37 PolarHBondContact O-N 3.29Å; Q34-Q38 PolarHBondContact O-N 3.28Å; Q34-Q38 VanDerWaalsContact O-N 3.17Å |
| 35 | K | 95.6 | Very high | 94 | Very high | 181 Ų | 181 | 73.8 Ų | 73.8 | 79% | 0.787 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 179.1 | -67.1 | -176.6 | -179.9 | -179.7 | 0 | 111.4 | A33 A37 Q38 T39 | A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.93Å; K35-A37 VanDerWaalsContact C-N 3.3Å; K35-A37 PolarHBondContact O-N 2.91Å; K35-Q38 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-OG1 3.4Å |
| 36 | S | 96.7 | Very high | 93.9 | Very high | 67 Ų | 67 | 74.7 Ų | 74.7 | 47% | 0.469 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 177.1 | -54 | 0 | 0 | 0 | 0 | 111.8 | A33 Q38 T39 F40 | A33-S36 PolarHBondContact O-N 3.42Å; S36-Q38 PolarHBondContact O-N 3.04Å; S36-T39 PolarHBondContact O-N 3.31Å; S36-F40 WeakPolarHBondContact O-CB 3.1Å; S36-F40 PolarHBondContact O-N 3.46Å |
| 37 | A | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y25 L28 L29 A33 Q34 K35 L41 | Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.31Å; Y25-A37 HydrophobicContact CE2-CB 3.63Å; Y25-A37 WeakPolarHBondContact CE2-O 3.46Å; L28-A37 HydrophobicContact CB-CB 3.75Å; L28-A37 HydrophobicContact CD1-CB 4.47Å; L29-A37 HydrophobicContact CD2-CB 3.75Å; L29-A37 HydrophobicContact CG-CB 4.13Å; A33-A37 PolarHBondContact O-N 2.83Å; Q34-A37 PolarHBondContact O-N 3.29Å; K35-A37 VanDerWaalsContact C-N 3.3Å; K35-A37 PolarHBondContact O-N 2.91Å; A37-L41 PolarHBondContact O-N 3.07Å |
| 38 | Q | 92.1 | Very high | 93.4 | Very high | 128 Ų | 128 | 83.4 Ų | 83.4 | 60% | 0.598 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.6 | -43.3 | 177.8 | -70.4 | -170.4 | 5.8 | 0 | 0 | 112.9 | Q34 K35 S36 F40 L41 S42 | Q34-Q38 PolarHBondContact O-N 3.28Å; Q34-Q38 VanDerWaalsContact O-N 3.17Å; K35-Q38 PolarHBondContact O-N 3.41Å; S36-Q38 PolarHBondContact O-N 3.04Å; Q38-F40 VanDerWaalsContact C-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.36Å; Q38-L41 PolarHBondContact O-N 2.85Å; Q38-S42 PolarHBondContact O-N 3.32Å; Q38-S42 PolarHBondContact O-OG 3.27Å |
| 39 | T | 96.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 89.5 Ų | 89.5 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | K35 S36 L41 S42 E43 | K35-T39 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-OG1 3.4Å; S36-T39 PolarHBondContact O-N 3.31Å; T39-L41 PolarHBondContact O-N 3.38Å; T39-S42 WeakPolarHBondContact O-CB 3.46Å; T39-S42 PolarHBondContact O-N 3.36Å; T39-S42 VanDerWaalsContact O-N 3.07Å; T39-E43 HydrophobicContact CG2-CG 4.23Å; T39-E43 VanDerWaalsContact CG2-OE1 3.3Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.27Å; T39-E43 WeakPolarHBondContact O-CG 3.45Å; T39-E43 PolarHBondContact O-N 2.96Å |
| 40 | F | 95.9 | Very high | 92.3 | Very high | 48 Ų | 48 | 91 Ų | 91 | 21% | 0.211 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 179 | 175.9 | -109.4 | 0 | 0 | 0 | 112.8 | A21 V24 L28 S36 Q38 S42 E43 I44 | A21-F40 HydrophobicContact CB-CE1 4.29Å; A21-F40 HydrophobicContact CB-CZ 4.12Å; A21-F40 WeakPolarHBondContact O-CE1 3.19Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.39Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; L28-F40 HydrophobicContact CD1-CB 4.18Å; L28-F40 HydrophobicContact CD1-CD1 4.47Å; L28-F40 HydrophobicContact CD1-CG 4.34Å; S36-F40 WeakPolarHBondContact O-CB 3.1Å; S36-F40 PolarHBondContact O-N 3.46Å; Q38-F40 VanDerWaalsContact C-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.36Å; F40-S42 VanDerWaalsContact C-N 3.27Å; F40-S42 PolarHBondContact O-N 3.38Å; F40-E43 PolarHBondContact O-N 3.22Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.79Å; F40-I44 HydrophobicContact CE2-CD1 4.49Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.9Å; F40-I44 HydrophobicContact CZ-CG2 4.34Å; F40-I44 WeakPolarHBondContact O-CG1 2.93Å; F40-I44 PolarHBondContact O-N 3.27Å; F40-I44 VanDerWaalsContact O-N 3.16Å |
| 41 | L | 93.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 93.4 Ų | 93.4 | 15% | 0.152 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 176.2 | -68 | -178.3 | 0 | 0 | 0 | 112.8 | Y25 A37 Q38 T39 R45 W46 I50 | Y25-L41 HydrophobicContact CD2-CD1 3.66Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.32Å; Y25-L41 HydrophobicContact CE2-CD1 3.26Å; Y25-L41 HydrophobicContact CE2-CD2 4.27Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.33Å; Y25-L41 HydrophobicContact CG-CD2 3.94Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 3.07Å; Q38-L41 PolarHBondContact O-N 2.85Å; T39-L41 PolarHBondContact O-N 3.38Å; L41-R45 PolarHBondContact O-N 3.48Å; L41-W46 HydrophobicContact CB-CB 4.14Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.38Å; L41-W46 HydrophobicContact CD2-CG 3.71Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.16Å; L41-I50 HydrophobicContact CD1-CD1 3.38Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å |
| 42 | S | 93 | Very high | 91.3 | Very high | 92 Ų | 92 | 94.4 Ų | 94.4 | 64% | 0.643 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.3 | -42.7 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | Q38 T39 F40 R45 | Q38-S42 PolarHBondContact O-N 3.32Å; Q38-S42 PolarHBondContact O-OG 3.27Å; T39-S42 WeakPolarHBondContact O-CB 3.46Å; T39-S42 PolarHBondContact O-N 3.36Å; T39-S42 VanDerWaalsContact O-N 3.07Å; F40-S42 VanDerWaalsContact C-N 3.27Å; F40-S42 PolarHBondContact O-N 3.38Å; S42-R45 PolarHBondContact O-N 2.89Å |
| 43 | E | 95.5 | Very high | 90.7 | Very high | 145 Ų | 145 | 93.7 Ų | 93.7 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | -179.8 | -75.7 | -179.7 | -173 | 0 | 0 | 112.4 | T39 F40 R45 | T39-E43 HydrophobicContact CG2-CG 4.23Å; T39-E43 VanDerWaalsContact CG2-OE1 3.3Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.27Å; T39-E43 WeakPolarHBondContact O-CG 3.45Å; T39-E43 PolarHBondContact O-N 2.96Å; F40-E43 PolarHBondContact O-N 3.22Å; E43-R45 PolarHBondContact O-N 3.02Å |
| 44 | I | 93.7 | Very high | 90.2 | Very high | 70 Ų | 70 | 100.4 Ų | 100.4 | 36% | 0.359 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.2 | 178.6 | 73.4 | -177 | 0 | 0 | 0 | 112.9 | A21 F40 W46 | A21-I44 HydrophobicContact CB-CD1 3.96Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.79Å; F40-I44 HydrophobicContact CE2-CD1 4.49Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.9Å; F40-I44 HydrophobicContact CZ-CG2 4.34Å; F40-I44 WeakPolarHBondContact O-CG1 2.93Å; F40-I44 PolarHBondContact O-N 3.27Å; F40-I44 VanDerWaalsContact O-N 3.16Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.08Å; I44-W46 HydrophobicContact CD1-CD2 4.34Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.85Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.12Å |
| 45 | R | 92.9 | Very high | 89.6 | Confident | 209 Ų | 209 | 99.8 Ų | 99.8 | 79% | 0.789 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 52.8 | -174.9 | -56.9 | -178.1 | 179.6 | -171.9 | -0.7 | 111.3 | L41 S42 E43 E47 | L41-R45 PolarHBondContact O-N 3.48Å; S42-R45 PolarHBondContact O-N 2.89Å; E43-R45 PolarHBondContact O-N 3.02Å; R45-E47 PolarHBondContact O-N 3.44Å |
| 46 | W | 93.3 | Very high | 88.9 | Confident | 51 Ų | 51 | 94.4 Ų | 94.4 | 19% | 0.193 | 49% | 0.493 | C | S | . | . | trans | -72.9 | 114.3 | -178 | -169.5 | -92.8 | 0 | 0 | 0 | 111.1 | E18 A21 L22 L41 I44 K48 | E18-W46 HydrophobicContact CB-CH2 4.25Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 VanDerWaalsContact O-CH2 3.31Å; E18-W46 WeakPolarHBondContact O-CH2 3.44Å; A21-W46 HydrophobicContact CB-CE3 4.35Å; A21-W46 HydrophobicContact CB-CZ3 3.88Å; L22-W46 HydrophobicContact CB-CH2 4.42Å; L22-W46 HydrophobicContact CB-CZ2 4.43Å; L22-W46 HydrophobicContact CD1-CZ2 4.39Å; L41-W46 HydrophobicContact CB-CB 4.14Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.38Å; L41-W46 HydrophobicContact CD2-CG 3.71Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.16Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.08Å; I44-W46 HydrophobicContact CD1-CD2 4.34Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.85Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.12Å; W46-K48 HydrophobicContact CZ2-CB 3.93Å; W46-K48 HydrophobicContact CZ2-CD 4.41Å; W46-K48 HydrophobicContact CZ2-CG 4.48Å; W46-K48 PolarHBondContact NE1-O 3.41Å | ||
| 47 | E | 88.1 | Confident | 88.6 | Confident | 181 Ų | 181 | 91.5 Ų | 91.5 | 85% | 0.846 | 47% | 0.474 | S | S | * | . | trans | -108.8 | 0.5 | -177.4 | -66.5 | 179.1 | -177.1 | 0 | 0 | 113.4 | R45 | R45-E47 PolarHBondContact O-N 3.44Š| ||
| 48 | K | 87.4 | Confident | 88.5 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -92.9 | 148.7 | -174.9 | -53.4 | -172.4 | -170.6 | -168.6 | 0 | 111.5 | E18 W46 | E18-K48 IonicContact OE1-NZ 2.68Å; E18-K48 PolarHBondContact OE1-NZ 2.66Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.68Å; W46-K48 HydrophobicContact CZ2-CB 3.93Å; W46-K48 HydrophobicContact CZ2-CD 4.41Å; W46-K48 HydrophobicContact CZ2-CG 4.48Å; W46-K48 PolarHBondContact NE1-O 3.41Å |
| 49 | N | 83.7 | Confident | 88.5 | Confident | 160 Ų | 160 | 91.8 Ų | 91.8 | 86% | 0.856 | 48% | 0.475 | S | S | * | . | trans | -60.2 | 140.9 | 173.2 | -71.8 | -64.5 | 0 | 0 | 0 | 111.2 | ||||
| 50 | I | 81.1 | Confident | 88.4 | Confident | 54 Ų | 54 | 91.9 Ų | 91.9 | 28% | 0.277 | 47% | 0.471 | S | S | . | . | trans | -110.3 | 123.1 | -178.4 | -54.2 | 176.1 | 0 | 0 | 0 | 109 | Y25 L41 L52 | Y25-I50 HydrophobicContact CD1-CD1 3.83Å; Y25-I50 HydrophobicContact CD1-CG2 3.78Å; Y25-I50 HydrophobicContact CE1-CB 4.46Å; Y25-I50 HydrophobicContact CE1-CD1 3.58Å; Y25-I50 HydrophobicContact CE1-CG2 3.7Å; Y25-I50 HydrophobicContact CG-CD1 4.41Å; L41-I50 HydrophobicContact CD1-CD1 3.38Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å; I50-L52 HydrophobicContact CG2-CD2 3.97Å; I50-L52 HydrophobicContact CG2-CG 4.37Å | ||
| 51 | T | 80.9 | Confident | 88.2 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 70% | 0.699 | 48% | 0.479 | S | S | * | . | trans | -105.7 | 120.7 | 168.2 | 53 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 52 | L | 81.8 | Confident | 88.3 | Confident | 97 Ų | 97 | 98.3 Ų | 98.3 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | trans | -89.7 | 136.9 | 178 | -62.4 | 171.7 | 0 | 0 | 0 | 110 | Y25 E26 L29 I50 | Y25-L52 HydrophobicContact CD1-CD2 4.18Å; Y25-L52 HydrophobicContact CE1-CD2 3.95Å; E26-L52 HydrophobicContact CB-CD2 4.37Å; E26-L52 HydrophobicContact CG-CD2 4.49Å; L29-L52 HydrophobicContact CD1-CD1 3.63Å; L29-L52 HydrophobicContact CD1-CD2 3.56Å; L29-L52 HydrophobicContact CD1-CG 4.25Å; I50-L52 HydrophobicContact CG2-CD2 3.97Å; I50-L52 HydrophobicContact CG2-CG 4.37Å | ||
| 53 | G | 80.5 | Confident | 88.4 | Confident | 39 Ų | 39 | 100.7 Ų | 100.7 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | trans | -86.1 | 179.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E26 | E26-G53 VanDerWaalsContact OE1-CA 3.25Å; E26-G53 WeakPolarHBondContact OE1-CA 3.38Å; E26-G53 PolarHBondContact OE1-N 2.73Å | ||
| 54 | E | 84.1 | Confident | 88.4 | Confident | 168 Ų | 168 | 96.8 Ų | 96.8 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -71.3 | 142.2 | 174 | -69 | -69.4 | 154.6 | 0 | 0 | 110.9 | G57 | E54-G57 PolarHBondContact O-N 3.39Š|
| 55 | P | 82.2 | Confident | 88.4 | Confident | 86 Ų | 86 | 97 Ų | 97 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 144.8 | 173.2 | 26.1 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 56 | P | 79.9 | Confident | 88.5 | Confident | 68 Ų | 68 | 92 Ų | 92 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.3 | 3.9 | 12.8 | 33.9 | -36.7 | 0 | 0 | 0 | 115.6 | H30 H60 | H30-P56 VanDerWaalsContact ND1-C 3.3Å; H30-P56 PolarHBondContact ND1-O 3.28Å; H30-P56 VanDerWaalsContact ND1-O 3.16Å; P56-H60 HydrophobicContact CB-CB 4.29Å; P56-H60 WeakPolarHBondContact O-CB 3.31Å |
| 57 | G | 89.7 | Confident | 88.5 | Confident | 6 Ų | 6 | 95.8 Ų | 95.8 | 6% | 0.062 | 49% | 0.486 | C | S | . | . | trans | 88.1 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H30 E54 S61 | H30-G57 WeakPolarHBondContact ND1-CA 3.12Å; H30-G57 PolarHBondContact ND1-N 3.33Å; E54-G57 PolarHBondContact O-N 3.39Å; G57-S61 PolarHBondContact O-N 2.9Å; G57-S61 PolarHBondContact O-OG 3.47Å | ||
| 58 | F | 92.3 | Very high | 88.8 | Confident | 89 Ų | 89 | 89 Ų | 89 | 39% | 0.39 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.8 | -48.3 | -172.9 | 178 | -91.8 | 0 | 0 | 0 | 112.1 | Y23 E26 H60 S61 W62 | Y23-F58 HydrophobicContact CD1-CB 3.73Å; Y23-F58 AromaticContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CG 4.01Å; Y23-F58 AromaticContact CD2-CD1 3.48Å; Y23-F58 HydrophobicContact CD2-CD1 3.48Å; Y23-F58 VanDerWaalsContact CD2-CD1 3.48Å; Y23-F58 AromaticContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CG 4.44Å; Y23-F58 HydrophobicContact CE1-CB 3.78Å; Y23-F58 AromaticContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CE1 4.49Å; Y23-F58 AromaticContact CE1-CG 3.77Å; Y23-F58 HydrophobicContact CE1-CG 3.77Å; Y23-F58 AromaticContact CE2-CD1 3.4Å; Y23-F58 HydrophobicContact CE2-CD1 3.4Å; Y23-F58 AromaticContact CE2-CE1 3.44Å; Y23-F58 HydrophobicContact CE2-CE1 3.44Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.44Å; Y23-F58 HydrophobicContact CE2-CG 4.2Å; Y23-F58 HydrophobicContact CE2-CZ 4.27Å; Y23-F58 HydrophobicContact CG-CB 4.33Å; Y23-F58 AromaticContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CE1 4.47Å; Y23-F58 HydrophobicContact CG-CG 4.36Å; Y23-F58 AromaticContact CZ-CD1 3.54Å; Y23-F58 AromaticContact CZ-CE1 3.83Å; Y23-F58 AromaticContact CZ-CG 3.86Å; E26-F58 PolarHBondContact OE2-N 3.35Å; F58-H60 VanDerWaalsContact C-N 3.34Å; F58-H60 PolarHBondContact O-N 3.31Å; F58-S61 PolarHBondContact O-N 2.83Å; F58-W62 AromaticContact CD2-CD1 3.97Å; F58-W62 AromaticContact CE1-CD1 3.81Å; F58-W62 HydrophobicContact CE1-CG 4.34Å; F58-W62 AromaticContact CE2-CD1 3.34Å; F58-W62 HydrophobicContact CE2-CG 4.5Å; F58-W62 AromaticContact CE2-NE1 3.59Å; F58-W62 AromaticContact CZ-CD1 3.25Å; F58-W62 HydrophobicContact CZ-CG 4.1Å; F58-W62 AromaticContact CZ-NE1 3.54Å; F58-W62 PolarHBondContact O-N 2.87Å |
| 59 | L | 93.8 | Very high | 89 | Confident | 45 Ų | 45 | 86.6 Ų | 86.6 | 24% | 0.236 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | -175.4 | -173.5 | 61.7 | 0 | 0 | 0 | 111.7 | L20 V24 Y27 W63 | L20-L59 HydrophobicContact CD1-CD1 4.38Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å; Y27-L59 HydrophobicContact CG-CD2 4.26Å; L59-W63 WeakPolarHBondContact O-CB 3.32Å; L59-W63 PolarHBondContact O-N 3.15Å |
| 60 | H | 92.4 | Very high | 89.4 | Confident | 76 Ų | 76 | 83 Ų | 83 | 35% | 0.352 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | -178.4 | -171.3 | 76.8 | 0 | 0 | 0 | 111.2 | Y27 P56 F58 W62 W63 C64 | Y27-H60 HydrophobicContact CD2-CB 4.29Å; Y27-H60 AromaticContact CE2-ND1 3.99Å; P56-H60 HydrophobicContact CB-CB 4.29Å; P56-H60 WeakPolarHBondContact O-CB 3.31Å; F58-H60 VanDerWaalsContact C-N 3.34Å; F58-H60 PolarHBondContact O-N 3.31Å; H60-W62 PolarHBondContact O-N 2.98Å; H60-W63 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-SG 3.35Å |
| 61 | S | 92.8 | Very high | 89.9 | Confident | 55 Ų | 55 | 80.5 Ų | 80.5 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | G57 F58 C64 V65 | G57-S61 PolarHBondContact O-N 2.9Å; G57-S61 PolarHBondContact O-OG 3.47Å; F58-S61 PolarHBondContact O-N 2.83Å; S61-C64 PolarHBondContact O-N 2.92Å; S61-V65 PolarHBondContact O-N 2.98Å |
| 62 | W | 95.3 | Very high | 90.2 | Very high | 156 Ų | 156 | 75.1 Ų | 75.1 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.2 | -38.5 | 178.5 | -106.9 | 100.5 | 0 | 0 | 0 | 112.9 | F58 H60 V65 F66 | F58-W62 AromaticContact CD2-CD1 3.97Å; F58-W62 AromaticContact CE1-CD1 3.81Å; F58-W62 HydrophobicContact CE1-CG 4.34Å; F58-W62 AromaticContact CE2-CD1 3.34Å; F58-W62 HydrophobicContact CE2-CG 4.5Å; F58-W62 AromaticContact CE2-NE1 3.59Å; F58-W62 AromaticContact CZ-CD1 3.25Å; F58-W62 HydrophobicContact CZ-CG 4.1Å; F58-W62 AromaticContact CZ-NE1 3.54Å; F58-W62 PolarHBondContact O-N 2.87Å; H60-W62 PolarHBondContact O-N 2.98Å; W62-V65 PolarHBondContact O-N 3.46Å; W62-F66 WeakPolarHBondContact O-CB 3.37Å; W62-F66 PolarHBondContact O-N 3.42Å |
| 63 | W | 95.8 | Very high | 90.5 | Very high | 142 Ų | 142 | 71.2 Ų | 71.2 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 177.2 | -177.7 | -104.8 | 0 | 0 | 0 | 111.9 | L59 H60 V65 F66 W67 | L59-W63 WeakPolarHBondContact O-CB 3.32Å; L59-W63 PolarHBondContact O-N 3.15Å; H60-W63 PolarHBondContact O-N 3.47Å; W63-V65 PolarHBondContact O-N 2.98Å; W63-F66 AromaticContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CE1 4.47Å; W63-F66 HydrophobicContact CH2-CD1 4.08Å; W63-F66 AromaticContact CH2-CE1 4Å; W63-F66 HydrophobicContact CH2-CE1 4Å; W63-F66 AromaticContact CZ3-CD1 3.58Å; W63-F66 HydrophobicContact CZ3-CD1 3.58Å; W63-F66 AromaticContact CZ3-CE1 3.75Å; W63-F66 HydrophobicContact CZ3-CE1 3.75Å; W63-F66 PolarHBondContact O-N 3.28Å; W63-W67 HydrophobicContact CZ2-CE3 4.22Å; W63-W67 VanDerWaalsContact O-CB 3.27Å; W63-W67 WeakPolarHBondContact O-CB 3.43Å; W63-W67 PolarHBondContact O-N 3.36Å |
| 64 | C | 93.9 | Very high | 90.4 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 174.6 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | H60 S61 W67 D68 | H60-C64 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-SG 3.35Å; S61-C64 PolarHBondContact O-N 2.92Å; C64-W67 PolarHBondContact O-N 3.39Å; C64-D68 VanDerWaalsContact O-CB 3.31Å; C64-D68 WeakPolarHBondContact O-CB 3.37Å; C64-D68 PolarHBondContact O-N 2.85Å |
| 65 | V | 94 | Very high | 90.3 | Very high | 75 Ų | 75 | 71.6 Ų | 71.6 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | S61 W62 W63 W67 D68 L69 | S61-V65 PolarHBondContact O-N 2.98Å; W62-V65 PolarHBondContact O-N 3.46Å; W63-V65 PolarHBondContact O-N 2.98Å; V65-W67 PolarHBondContact O-N 3.32Å; V65-D68 PolarHBondContact O-N 3.12Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CD1 3.31Å; V65-L69 PolarHBondContact O-N 3.45Å |
| 66 | F | 95.3 | Very high | 90.1 | Very high | 105 Ų | 105 | 72.3 Ų | 72.3 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 177.9 | 171.4 | -96.4 | 0 | 0 | 0 | 111.7 | W62 W63 D68 L69 Y70 | W62-F66 WeakPolarHBondContact O-CB 3.37Å; W62-F66 PolarHBondContact O-N 3.42Å; W63-F66 AromaticContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CE1 4.47Å; W63-F66 HydrophobicContact CH2-CD1 4.08Å; W63-F66 AromaticContact CH2-CE1 4Å; W63-F66 HydrophobicContact CH2-CE1 4Å; W63-F66 AromaticContact CZ3-CD1 3.58Å; W63-F66 HydrophobicContact CZ3-CD1 3.58Å; W63-F66 AromaticContact CZ3-CE1 3.75Å; W63-F66 HydrophobicContact CZ3-CE1 3.75Å; W63-F66 PolarHBondContact O-N 3.28Å; F66-D68 VanDerWaalsContact C-N 3.33Å; F66-D68 PolarHBondContact O-N 3.3Å; F66-L69 PolarHBondContact O-N 3.38Å; F66-Y70 VanDerWaalsContact O-CB 3.27Å; F66-Y70 WeakPolarHBondContact O-CB 3.46Å; F66-Y70 PolarHBondContact O-N 3.43Å |
| 67 | W | 93.6 | Very high | 89.8 | Confident | 129 Ų | 129 | 72.8 Ų | 72.8 | 49% | 0.489 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 179.9 | -174.7 | -103.6 | 0 | 0 | 0 | 111.5 | W63 C64 V65 Y70 C71 | W63-W67 HydrophobicContact CZ2-CE3 4.22Å; W63-W67 VanDerWaalsContact O-CB 3.27Å; W63-W67 WeakPolarHBondContact O-CB 3.43Å; W63-W67 PolarHBondContact O-N 3.36Å; C64-W67 PolarHBondContact O-N 3.39Å; V65-W67 PolarHBondContact O-N 3.32Å; W67-Y70 HydrophobicContact CE3-CD1 4.07Å; W67-Y70 HydrophobicContact CH2-CD1 4.33Å; W67-Y70 HydrophobicContact CH2-CE1 4.32Å; W67-Y70 AromaticContact CZ3-CD1 3.86Å; W67-Y70 HydrophobicContact CZ3-CD1 3.86Å; W67-Y70 HydrophobicContact CZ3-CE1 4.04Å; W67-Y70 WeakPolarHBondContact O-CB 3.48Å; W67-Y70 PolarHBondContact O-N 3.02Å; W67-C71 VanDerWaalsContact CE2-SG 3.6Å; W67-C71 PolarHBondContact NE1-SG 3.33Å; W67-C71 WeakPolarHBondContact O-CB 3.3Å; W67-C71 PolarHBondContact O-N 3.37Å; W67-C71 PolarHBondContact O-SG 3.45Å; W67-C71 VanDerWaalsContact O-SG 3.33Å |
| 68 | D | 93.6 | Very high | 88.9 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 21% | 0.214 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 177.4 | -169.3 | 33.9 | 0 | 0 | 0 | 112.1 | C64 V65 F66 Y70 C71 A72 H82 S83 A86 | C64-D68 VanDerWaalsContact O-CB 3.31Å; C64-D68 WeakPolarHBondContact O-CB 3.37Å; C64-D68 PolarHBondContact O-N 2.85Å; V65-D68 PolarHBondContact O-N 3.12Å; F66-D68 VanDerWaalsContact C-N 3.33Å; F66-D68 PolarHBondContact O-N 3.3Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.22Å; D68-C71 PolarHBondContact O-N 2.85Å; D68-A72 VanDerWaalsContact O-CB 3.3Å; D68-A72 WeakPolarHBondContact O-CB 3.27Å; D68-A72 PolarHBondContact O-N 3.18Å; D68-H82 WeakPolarHBondContact OD1-CA 3.43Å; D68-S83 WeakPolarHBondContact OD1-CB 3.45Å; D68-S83 PolarHBondContact OD1-N 3.41Å; D68-S83 WeakPolarHBondContact OD2-CB 3.22Å; D68-A86 HydrophobicContact CB-CB 4.39Å; D68-A86 WeakPolarHBondContact OD2-CB 3.44Å |
| 69 | L | 93.3 | Very high | 88.2 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 172.3 | -94.6 | 73.2 | 0 | 0 | 0 | 112.4 | V65 F66 A72 A73 A86 F89 H90 | V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CD1 3.31Å; V65-L69 PolarHBondContact O-N 3.45Å; F66-L69 PolarHBondContact O-N 3.38Å; L69-A72 PolarHBondContact O-N 3.02Å; L69-A73 PolarHBondContact O-N 3.25Å; L69-A86 HydrophobicContact CD1-CB 3.94Å; L69-A86 HydrophobicContact CG-CB 4.41Å; L69-F89 HydrophobicContact CD2-CD1 3.84Å; L69-F89 HydrophobicContact CD2-CE1 3.98Å; L69-F89 HydrophobicContact CG-CD1 4.46Å; L69-H90 PolarHBondContact O-NE2 3.37Å |
| 70 | Y | 90.8 | Very high | 87.5 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 178.4 | 177 | -100.4 | 0 | 0 | 0 | 111.6 | F66 W67 D68 A73 R76 | F66-Y70 VanDerWaalsContact O-CB 3.27Å; F66-Y70 WeakPolarHBondContact O-CB 3.46Å; F66-Y70 PolarHBondContact O-N 3.43Å; W67-Y70 HydrophobicContact CE3-CD1 4.07Å; W67-Y70 HydrophobicContact CH2-CD1 4.33Å; W67-Y70 HydrophobicContact CH2-CE1 4.32Å; W67-Y70 AromaticContact CZ3-CD1 3.86Å; W67-Y70 HydrophobicContact CZ3-CD1 3.86Å; W67-Y70 HydrophobicContact CZ3-CE1 4.04Å; W67-Y70 WeakPolarHBondContact O-CB 3.48Å; W67-Y70 PolarHBondContact O-N 3.02Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.22Å; Y70-A73 VanDerWaalsContact O-CB 3.27Å; Y70-A73 WeakPolarHBondContact O-CB 3.42Å; Y70-A73 PolarHBondContact O-N 3.49Å; Y70-R76 VanDerWaalsContact CE2-CZ 3.44Å; Y70-R76 VanDerWaalsContact OH-CZ 3.3Å; Y70-R76 PolarHBondContact OH-NH1 2.9Å |
| 71 | C | 91.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 175 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | W67 D68 A73 R77 C80 H82 | W67-C71 VanDerWaalsContact CE2-SG 3.6Å; W67-C71 PolarHBondContact NE1-SG 3.33Å; W67-C71 WeakPolarHBondContact O-CB 3.3Å; W67-C71 PolarHBondContact O-N 3.37Å; W67-C71 PolarHBondContact O-SG 3.45Å; W67-C71 VanDerWaalsContact O-SG 3.33Å; D68-C71 PolarHBondContact O-N 2.85Å; C71-A73 PolarHBondContact O-N 3.3Å; C71-R77 VanDerWaalsContact O-CA 3.24Å; C71-R77 WeakPolarHBondContact O-CA 3.42Å; C71-R77 PolarHBondContact O-N 3.38Å; C71-C80 HydrophobicContact CB-CB 3.73Å; C71-H82 HydrophobicContact CB-CB 3.97Å |
| 72 | A | 88.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 87 Ų | 87 | 1% | 0.008 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D68 L69 H82 A86 | D68-A72 VanDerWaalsContact O-CB 3.3Å; D68-A72 WeakPolarHBondContact O-CB 3.27Å; D68-A72 PolarHBondContact O-N 3.18Å; L69-A72 PolarHBondContact O-N 3.02Å; A72-H82 HydrophobicContact CB-CB 4.02Å; A72-A86 HydrophobicContact CB-CB 3.59Å |
| 73 | A | 87.7 | Confident | 86.3 | Confident | 14 Ų | 14 | 81.6 Ų | 81.6 | 12% | 0.116 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -57.6 | 139.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | L69 Y70 C71 D75 R76 R77 | L69-A73 PolarHBondContact O-N 3.25Å; Y70-A73 VanDerWaalsContact O-CB 3.27Å; Y70-A73 WeakPolarHBondContact O-CB 3.42Å; Y70-A73 PolarHBondContact O-N 3.49Å; C71-A73 PolarHBondContact O-N 3.3Å; A73-D75 PolarHBondContact O-N 3.35Å; A73-R76 PolarHBondContact O-N 3.39Å; A73-R77 WeakPolarHBondContact O-CB 3.34Å; A73-R77 PolarHBondContact O-N 2.97Å |
| 74 | P | 78.3 | Confident | 85.8 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 44% | 0.442 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.7 | -171.5 | 18.5 | -30.5 | 0 | 0 | 0 | 114.1 | R76 | P74-R76 VanDerWaalsContact C-N 3.3Å; P74-R76 PolarHBondContact O-N 2.96Å |
| 75 | D | 82.1 | Confident | 85.7 | Confident | 147 Ų | 147 | 83.8 Ų | 83.8 | 79% | 0.786 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.8 | 178.7 | -53.4 | -48.2 | 0 | 0 | 0 | 114 | A73 | A73-D75 PolarHBondContact O-N 3.35Š|
| 76 | R | 77.9 | Confident | 85.4 | Confident | 101 Ų | 101 | 80.3 Ų | 80.3 | 38% | 0.381 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -19.6 | -168.5 | -58.3 | -177.6 | -135.1 | -93.8 | -6.7 | 114 | Y70 A73 P74 E78 T79 C80 | Y70-R76 VanDerWaalsContact CE2-CZ 3.44Å; Y70-R76 VanDerWaalsContact OH-CZ 3.3Å; Y70-R76 PolarHBondContact OH-NH1 2.9Å; A73-R76 PolarHBondContact O-N 3.39Å; P74-R76 VanDerWaalsContact C-N 3.3Å; P74-R76 PolarHBondContact O-N 2.96Å; R76-E78 PolarHBondContact O-N 3.49Å; R76-T79 PolarHBondContact O-N 3.35Å; R76-T79 PolarHBondContact O-OG1 3.47Å; R76-C80 PolarHBondContact O-N 2.93Å |
| 77 | R | 73.3 | Confident | 85 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.6 | -171.5 | 72.7 | 169.5 | -176.3 | -119.4 | -9.2 | 115.3 | C71 A73 T79 H82 | C71-R77 VanDerWaalsContact O-CA 3.24Å; C71-R77 WeakPolarHBondContact O-CA 3.42Å; C71-R77 PolarHBondContact O-N 3.38Å; A73-R77 WeakPolarHBondContact O-CB 3.34Å; A73-R77 PolarHBondContact O-N 2.97Å; R77-T79 PolarHBondContact O-N 3.44Å; R77-H82 WeakPolarHBondContact CB-NE2 3.1Å; R77-H82 PolarHBondContact O-NE2 2.83Å |
| 78 | E | 71.9 | Confident | 84.7 | Confident | 154 Ų | 154 | 74.4 Ų | 74.4 | 72% | 0.72 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.2 | 178.6 | -51.7 | -62.6 | 149.6 | 0 | 0 | 112.5 | R76 | R76-E78 PolarHBondContact O-N 3.49Š|
| 79 | T | 77.2 | Confident | 84.5 | Confident | 119 Ų | 119 | 78.3 Ų | 78.3 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -17.9 | -174.1 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | R76 R77 | R76-T79 PolarHBondContact O-N 3.35Å; R76-T79 PolarHBondContact O-OG1 3.47Å; R77-T79 PolarHBondContact O-N 3.44Å |
| 80 | C | 78.4 | Confident | 84.2 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -122.2 | 134.1 | -174 | -69.7 | 0 | 0 | 0 | 0 | 110.8 | C71 R76 H82 | C71-C80 HydrophobicContact CB-CB 3.73Å; R76-C80 PolarHBondContact O-N 2.93Å; C80-H82 PolarHBondContact O-CD2 3.28Å; C80-H82 VanDerWaalsContact O-CD2 3.3Å |
| 81 | E | 81.4 | Confident | 83.8 | Confident | 196 Ų | 196 | 77.3 Ų | 77.3 | 92% | 0.916 | 40% | 0.4 | S | S | * | . | trans | -67.2 | 132.1 | 173.1 | -164.8 | 168.9 | -174.6 | 0 | 0 | 110.2 | ||||
| 82 | H | 87.8 | Confident | 83.4 | Confident | 56 Ų | 56 | 85.7 Ų | 85.7 | 26% | 0.259 | 43% | 0.433 | S | S | . | . | trans | -147.9 | 157.3 | -174.5 | 59.8 | 52 | 0 | 0 | 0 | 111.9 | D68 C71 A72 R77 C80 | D68-H82 WeakPolarHBondContact OD1-CA 3.43Å; C71-H82 HydrophobicContact CB-CB 3.97Å; A72-H82 HydrophobicContact CB-CB 4.02Å; R77-H82 WeakPolarHBondContact CB-NE2 3.1Å; R77-H82 PolarHBondContact O-NE2 2.83Å; C80-H82 PolarHBondContact O-CD2 3.28Å; C80-H82 VanDerWaalsContact O-CD2 3.3Å | ||
| 83 | S | 87.2 | Confident | 82.8 | Confident | 41 Ų | 41 | 88.9 Ų | 88.9 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | trans | -70.2 | 150 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | D68 E85 A86 K87 | D68-S83 WeakPolarHBondContact OD1-CB 3.45Å; D68-S83 PolarHBondContact OD1-N 3.41Å; D68-S83 WeakPolarHBondContact OD2-CB 3.22Å; S83-E85 PolarHBondContact O-N 3.02Å; S83-E85 PolarHBondContact OG-N 3.32Å; S83-A86 PolarHBondContact O-N 2.88Å; S83-K87 PolarHBondContact O-N 3.05Å | ||
| 84 | S | 85.7 | Confident | 81.9 | Confident | 97 Ų | 97 | 91.6 Ų | 91.6 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -28.7 | 170.8 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | A88 | S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 3.36Å |
| 85 | E | 90.3 | Very high | 81.3 | Confident | 154 Ų | 154 | 92 Ų | 92 | 72% | 0.72 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.3 | -43.9 | 178.4 | -64 | -174.9 | 156.1 | 0 | 0 | 111.6 | S83 K87 A88 F89 | S83-E85 PolarHBondContact O-N 3.02Å; S83-E85 PolarHBondContact OG-N 3.32Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.15Å; E85-A88 PolarHBondContact O-N 2.84Å; E85-F89 PolarHBondContact O-N 3.28Å |
| 86 | A | 88.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 88.9 Ų | 88.9 | 2% | 0.017 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D68 L69 A72 S83 F89 H90 | D68-A86 HydrophobicContact CB-CB 4.39Å; D68-A86 WeakPolarHBondContact OD2-CB 3.44Å; L69-A86 HydrophobicContact CD1-CB 3.94Å; L69-A86 HydrophobicContact CG-CB 4.41Å; A72-A86 HydrophobicContact CB-CB 3.59Å; S83-A86 PolarHBondContact O-N 2.88Å; A86-F89 PolarHBondContact O-N 3.3Å; A86-H90 PolarHBondContact O-CD2 2.96Å; A86-H90 PolarHBondContact O-N 2.81Å |
| 87 | K | 87.1 | Confident | 78.9 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 33% | 0.326 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 172.5 | -175.5 | -178.7 | -177.3 | -62 | 0 | 111.4 | S83 E85 F89 H90 D91 | S83-K87 PolarHBondContact O-N 3.05Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.15Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.04Å; K87-H90 PolarHBondContact O-N 3.39Å; K87-D91 IonicContact NZ-OD1 3.91Å; K87-D91 IonicContact NZ-OD2 2.64Å; K87-D91 PolarHBondContact NZ-OD2 3.42Å; K87-D91 VanDerWaalsContact O-CG 3.28Å; K87-D91 PolarHBondContact O-N 2.9Å |
| 88 | A | 87.6 | Confident | 77.5 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S84 E85 H90 D91 Y92 | S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 3.36Å; E85-A88 PolarHBondContact O-N 2.84Å; A88-H90 PolarHBondContact O-N 2.94Å; A88-D91 PolarHBondContact O-N 3.05Å; A88-Y92 HydrophobicContact CB-CD2 4.3Å; A88-Y92 HydrophobicContact CB-CE2 4.28Å; A88-Y92 WeakPolarHBondContact O-CB 3.47Å; A88-Y92 WeakPolarHBondContact O-CD2 3.43Å; A88-Y92 PolarHBondContact O-N 3.21Å |
| 89 | F | 88.9 | Confident | 76 | Confident | 122 Ų | 122 | 85.6 Ų | 85.6 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.9 | -173.5 | -95.7 | 0 | 0 | 0 | 112.9 | L69 E85 A86 K87 S93 | L69-F89 HydrophobicContact CD2-CD1 3.84Å; L69-F89 HydrophobicContact CD2-CE1 3.98Å; L69-F89 HydrophobicContact CG-CD1 4.46Å; E85-F89 PolarHBondContact O-N 3.28Å; A86-F89 PolarHBondContact O-N 3.3Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.04Å; F89-S93 WeakPolarHBondContact O-CB 3.39Å; F89-S93 PolarHBondContact O-N 2.97Å; F89-S93 PolarHBondContact O-OG 2.64Å |
| 90 | H | 86.9 | Confident | 74.7 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 25% | 0.245 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 174.2 | -78.6 | -72 | 0 | 0 | 0 | 112 | L69 A86 K87 A88 Y92 S93 A94 | L69-H90 PolarHBondContact O-NE2 3.37Å; A86-H90 PolarHBondContact O-CD2 2.96Å; A86-H90 PolarHBondContact O-N 2.81Å; K87-H90 PolarHBondContact O-N 3.39Å; A88-H90 PolarHBondContact O-N 2.94Å; H90-Y92 PolarHBondContact O-N 3.4Å; H90-S93 PolarHBondContact O-N 3.3Å; H90-A94 WeakPolarHBondContact O-CB 3.24Å; H90-A94 PolarHBondContact O-N 2.94Å |
| 91 | D | 83.5 | Confident | 73.3 | Confident | 62 Ų | 62 | 90.1 Ų | 90.1 | 33% | 0.332 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 179.9 | -69.5 | -19.8 | 0 | 0 | 0 | 111.8 | K87 A88 A94 A95 | K87-D91 IonicContact NZ-OD1 3.91Å; K87-D91 IonicContact NZ-OD2 2.64Å; K87-D91 PolarHBondContact NZ-OD2 3.42Å; K87-D91 VanDerWaalsContact O-CG 3.28Å; K87-D91 PolarHBondContact O-N 2.9Å; A88-D91 PolarHBondContact O-N 3.05Å; D91-A94 PolarHBondContact O-N 3.32Å; D91-A95 VanDerWaalsContact O-CB 3.29Å; D91-A95 WeakPolarHBondContact O-CB 3.15Å; D91-A95 PolarHBondContact O-N 3.34Å |
| 92 | Y | 81.8 | Confident | 71.8 | Confident | 179 Ų | 179 | 89 Ų | 89 | 70% | 0.702 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.7 | -38.2 | 174.8 | -80.9 | -62.2 | 0 | 0 | 0 | 112.3 | A88 H90 A95 A96 | A88-Y92 HydrophobicContact CB-CD2 4.3Å; A88-Y92 HydrophobicContact CB-CE2 4.28Å; A88-Y92 WeakPolarHBondContact O-CB 3.47Å; A88-Y92 WeakPolarHBondContact O-CD2 3.43Å; A88-Y92 PolarHBondContact O-N 3.21Å; H90-Y92 PolarHBondContact O-N 3.4Å; Y92-A95 PolarHBondContact O-N 2.8Å; Y92-A96 WeakPolarHBondContact O-CB 3.27Å; Y92-A96 PolarHBondContact O-N 3Å |
| 93 | S | 76.2 | Confident | 69.8 | Low | 67 Ų | 67 | 89.5 Ų | 89.5 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 175.5 | -74.2 | 0 | 0 | 0 | 0 | 112 | F89 H90 A97 | F89-S93 WeakPolarHBondContact O-CB 3.39Å; F89-S93 PolarHBondContact O-N 2.97Å; F89-S93 PolarHBondContact O-OG 2.64Å; H90-S93 PolarHBondContact O-N 3.3Å; S93-A97 PolarHBondContact O-N 3.28Å |
| 94 | A | 69.3 | Low | 67.8 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.2 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H90 D91 A97 | H90-A94 WeakPolarHBondContact O-CB 3.24Å; H90-A94 PolarHBondContact O-N 2.94Å; D91-A94 PolarHBondContact O-N 3.32Å; A94-A97 WeakPolarHBondContact O-CB 3.35Å |
| 95 | A | 65.2 | Low | 65.7 | Low | 76 Ų | 76 | 99.2 Ų | 99.2 | 63% | 0.628 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.4 | -23.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D91 Y92 | D91-A95 VanDerWaalsContact O-CB 3.29Å; D91-A95 WeakPolarHBondContact O-CB 3.15Å; D91-A95 PolarHBondContact O-N 3.34Å; Y92-A95 PolarHBondContact O-N 2.8Å |
| 96 | A | 60.3 | Low | 63.5 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -86 | -8.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y92 | Y92-A96 WeakPolarHBondContact O-CB 3.27Å; Y92-A96 PolarHBondContact O-N 3Å |
| 97 | A | 48.1 | Very low | 61.6 | Low | 50 Ų | 50 | 103 Ų | 103 | 41% | 0.413 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -61.6 | 133.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108 | S93 A94 S99 | S93-A97 PolarHBondContact O-N 3.28Å; A94-A97 WeakPolarHBondContact O-CB 3.35Å; A97-S99 PolarHBondContact O-N 2.84Å |
| 98 | P | 45.2 | Very low | 59.7 | Low | 125 Ų | 125 | 106.6 Ų | 106.6 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | trans | -58.1 | 107.2 | 170.8 | 24.6 | -31.1 | 0 | 0 | 0 | 107 | ||||
| 99 | S | 40.9 | Very low | 57.7 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | trans | -53.5 | 135.4 | 172.9 | -73.7 | 0 | 0 | 0 | 0 | 107.8 | A97 V101 | A97-S99 PolarHBondContact O-N 2.84Å; S99-V101 PolarHBondContact O-N 3.49Å | ||
| 100 | P | 48.8 | Very low | 55.4 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | trans | -73.2 | 65.4 | 172.2 | 32 | -33.7 | 0 | 0 | 0 | 109 | M102 | P100-M102 PolarHBondContact O-N 3.48Å; P100-M102 VanDerWaalsContact O-N 3.09Å | ||
| 101 | V | 49.9 | Very low | 53.2 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -74.9 | 88.2 | 157.7 | 157.2 | 0 | 0 | 0 | 0 | 105.4 | S99 | S99-V101 PolarHBondContact O-N 3.49Š| ||
| 102 | M | 48.2 | Very low | 51.3 | Low | 173 Ų | 173 | 120.5 Ų | 120.5 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | trans | 171.2 | 68.4 | 140.2 | -164.8 | 161.6 | -72.3 | 0 | 0 | 109.7 | P100 | P100-M102 PolarHBondContact O-N 3.48Å; P100-M102 VanDerWaalsContact O-N 3.09Å | ||
| 103 | G | 47.5 | Very low | 49.4 | Very low | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | -137.4 | 57.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 104 | N | 43.3 | Very low | 47.5 | Very low | 165 Ų | 165 | 115.9 Ų | 115.9 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -172.3 | 67.1 | 162.1 | -113.2 | 26.6 | 0 | 0 | 0 | 112 | ||||
| 105 | M | 43.2 | Very low | 46.3 | Very low | 176 Ų | 176 | 118.7 Ų | 118.7 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -126.8 | 111.5 | 157.1 | -109.2 | 155.5 | -173.1 | 0 | 0 | 108.6 | ||||
| 106 | P | 43.4 | Very low | 45.5 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -63.6 | 139 | 174.3 | 25.6 | -31 | 0 | 0 | 0 | 109.5 | ||||
| 107 | P | 48.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -75.5 | 134.1 | 176.1 | -1.3 | 18.2 | 0 | 0 | 0 | 109.4 | ||
| 108 | N | 47.1 | Very low | 44.4 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 82 | 101.3 | 178.4 | -65.8 | -29.1 | 0 | 0 | 0 | 116.4 | ||||
| 109 | D | 45.1 | Very low | 44.5 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | -146.8 | 107 | 122.3 | -87 | -44.7 | 0 | 0 | 0 | 108.7 | |||||
| 110 | A | 40.8 | Very low | 44.6 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -65.8 | 141.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 111 | M | 40.9 | Very low | 44.3 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -166.8 | 158.6 | 150.7 | -94.3 | -104.3 | 168.8 | 0 | 0 | 111 | ||||
| 112 | P | 43.8 | Very low | 43.8 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -106.2 | 156.8 | -128.3 | 38.5 | -36 | 0 | 0 | 0 | 115.7 | |||||
| 113 | G | 40.8 | Very low | 43.4 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 56.2 | 102.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 114 | G | 36.6 | Very low | 43.5 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -151.4 | 135.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 115 | P | 43.9 | Very low | 43.3 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75 | 137.1 | -170.8 | 28.9 | -32.8 | 0 | 0 | 0 | 112.9 | ||
| 116 | I | 48 | Very low | 42.7 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 130.6 | 178.1 | -57 | 176.4 | 0 | 0 | 0 | 109.5 | ||
| 117 | P | 42.4 | Very low | 43.1 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 136 | 168.6 | 28.9 | -31.3 | 0 | 0 | 0 | 111.2 | ||
| 118 | P | 43 | Very low | 42.5 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 127.5 | -176.6 | 32.7 | -30.3 | 0 | 0 | 0 | 109.9 | ||
| 119 | G | 47.6 | Very low | 41.9 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 173 | 3.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 120 | F | 43.2 | Very low | 41.4 | Very low | 215 Ų | 215 | 130.9 Ų | 130.9 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -136.8 | 36.9 | -175.9 | -115.9 | -94.6 | 0 | 0 | 0 | 115.8 | Q122 | F120-Q122 PolarHBondContact O-N 3.28Š| ||
| 121 | F | 43.8 | Very low | 41.6 | Very low | 212 Ų | 212 | 131.9 Ų | 131.9 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -84.9 | 90.7 | 163.7 | -139.7 | -85.5 | 0 | 0 | 0 | 109.5 | ||||
| 122 | Q | 39.3 | Very low | 42 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -139.4 | 122.2 | 153.7 | -74.5 | -155 | 28.9 | 0 | 0 | 109.1 | F120 | F120-Q122 PolarHBondContact O-N 3.28Š| ||
| 123 | G | 39.8 | Very low | 41.7 | Very low | 57 Ų | 57 | 131 Ų | 131 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | trans | -64.7 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P125 | G123-P125 WeakPolarHBondContact O-CD 3.29Š| ||
| 124 | P | 49.6 | Very low | 41.6 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -81.2 | 137 | -163.6 | 32.7 | -32.5 | 0 | 0 | 0 | 112.2 | ||||
| 125 | P | 37.6 | Very low | 42 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -139.7 | 136.7 | 148 | 34.4 | -16.9 | 0 | 0 | 0 | 113.3 | G123 | G123-P125 WeakPolarHBondContact O-CD 3.29Š| ||
| 126 | G | 32.3 | Very low | 42.3 | Very low | 62 Ų | 62 | 137.5 Ų | 137.5 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | 76.6 | 106 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118 | Q128 | G126-Q128 PolarHBondContact O-N 3.06Š| ||
| 127 | S | 50 | Low | 42.4 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 21.8 | 102.1 | 132.3 | 54.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 128 | Q | 36.5 | Very low | 42.4 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -129.7 | 136.2 | 152.3 | -81.1 | -147.7 | 17.4 | 0 | 0 | 111.7 | G126 | G126-Q128 PolarHBondContact O-N 3.06Š| ||
| 129 | Q | 35.5 | Very low | 42.3 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 140.3 | -174.1 | -66 | 164.1 | 16.1 | 0 | 0 | 110.5 | ||||
| 130 | S | 34.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -67.8 | 138.1 | 171.4 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | H132 | S130-H132 PolarHBondContact O-N 2.85Š| ||
| 131 | P | 45.5 | Very low | 42.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 67.4 | 179.1 | 37.6 | -32.3 | 0 | 0 | 0 | 110.9 | ||||
| 132 | H | 48.6 | Very low | 42.2 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -153.1 | 94.2 | 169 | -81.1 | -57.6 | 0 | 0 | 0 | 112.1 | S130 | S130-H132 PolarHBondContact O-N 2.85Š| ||
| 133 | A | 37.7 | Very low | 42.7 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 175.2 | 101.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 134 | Q | 39.3 | Very low | 43 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 132.7 | 160.2 | -77 | -157.4 | -48.5 | 0 | 0 | 109.3 | ||
| 135 | P | 45.2 | Very low | 42.7 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 153.4 | 164.8 | 32 | -29.9 | 0 | 0 | 0 | 111.2 | ||
| 136 | P | 48.9 | Very low | 42.7 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 151.7 | -178.9 | 30 | -32.5 | 0 | 0 | 0 | 112.3 | ||
| 137 | P | 50 | Low | 43.5 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 135.8 | -176 | 29.6 | -32.6 | 0 | 0 | 0 | 111.6 | ||
| 138 | H | 42.5 | Very low | 43.2 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 134.2 | 175.9 | -73.3 | 30.5 | 0 | 0 | 0 | 111 | ||
| 139 | N | 41.1 | Very low | 43.7 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 125.2 | 176.1 | -172.7 | 15.8 | 0 | 0 | 0 | 110.5 | S141 | N139-S141 PolarHBondContact O-N 3.2Š|
| 140 | P | 48.3 | Very low | 43.9 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -95.9 | 57.2 | -171.7 | 37.6 | -34.8 | 0 | 0 | 0 | 113.4 | ||||
| 141 | S | 44.5 | Very low | 44.7 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -144.8 | 77.4 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 113 | N139 | N139-S141 PolarHBondContact O-N 3.2Š| ||
| 142 | N | 40.4 | Very low | 44.5 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -170.9 | 140.5 | 139 | -121.5 | 24.1 | 0 | 0 | 0 | 111.8 | ||||
| 143 | P | 48.9 | Very low | 44 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -96.2 | 151.7 | -177.9 | 36.4 | -30.9 | 0 | 0 | 0 | 114.1 | ||||
| 144 | M | 46 | Very low | 44 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | 55.1 | 115.4 | 151.5 | -80.7 | 165.4 | 59.3 | 0 | 0 | 120.8 | ||||
| 145 | M | 42.8 | Very low | 44.4 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | 168.3 | 134.5 | 115.9 | -99.7 | -176.5 | 157.2 | 0 | 0 | 113.3 | |||||
| 146 | G | 38.2 | Very low | 44.3 | Very low | 54 Ų | 54 | 137.7 Ų | 137.7 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | trans | 95.6 | 130.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | H148 | G146-H148 PolarHBondContact O-N 2.85Š| ||
| 147 | P | 48.9 | Very low | 43.8 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -82.3 | 102.9 | 168.5 | 32.3 | -26.8 | 0 | 0 | 0 | 109.2 | ||||
| 148 | H | 44.1 | Very low | 43.4 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -103.5 | 102.2 | 175 | -70.3 | -54.7 | 0 | 0 | 0 | 110.5 | G146 | G146-H148 PolarHBondContact O-N 2.85Š| ||
| 149 | G | 47.8 | Very low | 43.1 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -60.2 | 135.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 150 | Q | 39.9 | Very low | 43.2 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -122.3 | 120.4 | 169.2 | -72.7 | -69.7 | -27.1 | 0 | 0 | 108.1 | ||||
| 151 | P | 51.1 | Low | 42.8 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -81.8 | -170.9 | 156.7 | 35.1 | -27.4 | 0 | 0 | 0 | 109.1 | ||||
| 152 | F | 39.5 | Very low | 42.8 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 91.5 | 80.4 | 159.1 | -117.5 | -98.4 | 0 | 0 | 0 | 118 | S154 | F152-S154 WeakPolarHBondContact CD1-OG 3.49Å; F152-S154 VanDerWaalsContact CE1-OG 3.23Å; F152-S154 WeakPolarHBondContact CE1-OG 3.35Å | ||
| 153 | M | 39.4 | Very low | 42.6 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 96% | 0.956 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 105.5 | 142.7 | -70.1 | -168.6 | 105 | 0 | 0 | 108.1 | ||||
| 154 | S | 36.5 | Very low | 42.1 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 51% | 0.51 | 79% | 0.79 | S | S | . | * | trans | -69 | 140.1 | 167.1 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | F152 R156 | F152-S154 WeakPolarHBondContact CD1-OG 3.49Å; F152-S154 VanDerWaalsContact CE1-OG 3.23Å; F152-S154 WeakPolarHBondContact CE1-OG 3.35Å; S154-R156 PolarHBondContact O-N 3.49Å | ||
| 155 | P | 47.6 | Very low | 41.8 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -65 | 116.6 | 161.8 | -18.5 | 31.9 | 0 | 0 | 0 | 109.6 | Y157 | P155-Y157 HydrophobicContact CB-CD2 4.28Å; P155-Y157 HydrophobicContact CB-CE2 4.45Å; P155-Y157 PolarHBondContact O-N 3.37Å | ||
| 156 | R | 44.2 | Very low | 41.7 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -73.9 | 98.9 | 167.3 | -75.4 | -179.7 | 176.7 | -163.8 | -0.8 | 108.5 | S154 | S154-R156 PolarHBondContact O-N 3.49Š| ||
| 157 | Y | 38.8 | Very low | 41.5 | Very low | 210 Ų | 210 | 149 Ų | 149 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -105.2 | 131.4 | 155.9 | -83.3 | -84.8 | 0 | 0 | 0 | 109.2 | P155 G159 | P155-Y157 HydrophobicContact CB-CD2 4.28Å; P155-Y157 HydrophobicContact CB-CE2 4.45Å; P155-Y157 PolarHBondContact O-N 3.37Å; Y157-G159 PolarHBondContact O-N 3.2Å | ||
| 158 | P | 41 | Very low | 41 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -70 | 121 | 163.1 | -8 | 24.6 | 0 | 0 | 0 | 108.4 | G160 | P158-G160 PolarHBondContact O-N 3.45Š| ||
| 159 | G | 36.3 | Very low | 40.7 | Very low | 88 Ų | 88 | 148 Ų | 148 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -65.7 | 126.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y157 | Y157-G159 PolarHBondContact O-N 3.2Š| ||
| 160 | G | 43.1 | Very low | 40.1 | Very low | 62 Ų | 62 | 152.4 Ų | 152.4 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | trans | -126 | 145.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P158 R162 | P158-G160 PolarHBondContact O-N 3.45Å; G160-R162 PolarHBondContact O-N 2.91Å | ||
| 161 | P | 40.1 | Very low | 40.1 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 124.6 | -172.5 | 28.8 | -32.2 | 0 | 0 | 0 | 111.2 | ||
| 162 | R | 44 | Very low | 39.4 | Very low | 236 Ų | 236 | 149.1 Ų | 149.1 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85 | 123.4 | 174.9 | -127 | -175.9 | 176.2 | -167.8 | -0.7 | 109.9 | G160 | G160-R162 PolarHBondContact O-N 2.91Š|
| 163 | P | 37.3 | Very low | 39.2 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 139.9 | 168.3 | -15 | 29.9 | 0 | 0 | 0 | 111.2 | ||
| 164 | S | 37.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139 | -177.5 | -49.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 165 | L | 40.6 | Very low | 39.4 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 135.8 | 173.3 | -75 | 111.8 | 0 | 0 | 0 | 112.8 | ||
| 166 | R | 39.4 | Very low | 38.7 | Very low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -141.2 | 124.3 | 154.3 | -158.4 | 172.8 | -173.5 | 172.5 | 1.3 | 110.7 | ||||
| 167 | M | 34.1 | Very low | 38.3 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -49.3 | 140.7 | 173.9 | -69 | -85.4 | -112 | 0 | 0 | 112.8 | ||||
| 168 | P | 39.4 | Very low | 38.4 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -90.4 | 111.3 | 169.9 | 32.1 | -25.9 | 0 | 0 | 0 | 110.7 | ||||
| 169 | N | 37.9 | Very low | 39 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -132.3 | 126 | 152.2 | -170.5 | 33.1 | 0 | 0 | 0 | 107.2 | ||||
| 170 | Q | 35.3 | Very low | 39 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 95.3 | 146.3 | 172.7 | -55.8 | -71.4 | -34.7 | 0 | 0 | 118.1 | ||
| 171 | P | 38.6 | Very low | 39.2 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -109.6 | 153.9 | -142.6 | 39.1 | -30.1 | 0 | 0 | 0 | 115.4 | ||||
| 172 | G | 37.1 | Very low | 39.5 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 71.2 | 109.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 173 | G | 33.9 | Very low | 39.1 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | 179.2 | 131 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 174 | I | 41.5 | Very low | 39.1 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -83 | 153.4 | -163.5 | -56.4 | 151.1 | 0 | 0 | 0 | 111.9 | ||||
| 175 | P | 38.9 | Very low | 39.4 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -89.2 | 140.3 | -173.4 | 34.9 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 176 | G | 33.1 | Very low | 39.2 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -152.6 | 109.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 177 | S | 36.7 | Very low | 39.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 42.7 | 111.9 | 137.3 | 56.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 178 | Q | 39.7 | Very low | 40.2 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -58.6 | 164 | 141.3 | -83.3 | -99 | -28.7 | 0 | 0 | 110.3 | ||||
| 179 | P | 54.3 | Low | 40.2 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -154.9 | -170.8 | 39.9 | 33.5 | -5.9 | 0 | 0 | 0 | 117.3 | ||||
| 180 | L | 36.5 | Very low | 40.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | 92.3 | 107.7 | 151.1 | -54.6 | 172.2 | 0 | 0 | 0 | 119.6 | ||||
| 181 | L | 47 | Very low | 40.8 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -75.1 | 158.9 | 152.8 | -64.4 | 161.5 | 0 | 0 | 0 | 110.1 | ||||
| 182 | P | 45.7 | Very low | 40.5 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -130.1 | 146 | 127.3 | 35.3 | -24.9 | 0 | 0 | 0 | 112.9 | |||||
| 183 | N | 36.5 | Very low | 40.9 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -100.9 | 127.8 | -179.8 | -166.6 | 54.2 | 0 | 0 | 0 | 108.8 | ||||
| 184 | S | 37.7 | Very low | 41.5 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -173.7 | 109.8 | 160.5 | -3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 185 | L | 42.9 | Very low | 41.3 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | 63.2 | 97.3 | 94.5 | -78.6 | 156.4 | 0 | 0 | 0 | 114.7 | |||||
| 186 | D | 37.9 | Very low | 41.4 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 175.3 | 138.8 | 112.7 | -168.2 | 43.9 | 0 | 0 | 0 | 112.3 | T188 | D186-T188 PolarHBondContact OD2-OG1 3.38Š| |||
| 187 | P | 51.4 | Low | 41.6 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -110.2 | 82.5 | -177.1 | 35 | -17.7 | 0 | 0 | 0 | 112.1 | ||||
| 188 | T | 42.8 | Very low | 41.8 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 128 | 166.9 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | D186 | D186-T188 PolarHBondContact OD2-OG1 3.38Š| ||
| 189 | R | 39.6 | Very low | 42.3 | Very low | 250 Ų | 250 | 136.3 Ų | 136.3 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | 97.8 | 144.3 | 156.3 | -104.1 | -159.4 | 148 | 103.7 | -4.8 | 122.1 | ||||
| 190 | P | 48 | Very low | 41.5 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -111 | 154.1 | -156.6 | 42.4 | -33.7 | 0 | 0 | 0 | 115.9 | ||||
| 191 | Q | 36.8 | Very low | 41.9 | Very low | 203 Ų | 203 | 144.2 Ų | 144.2 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | -146.2 | 122.9 | 155.2 | -82 | -167.6 | -34.2 | 0 | 0 | 105.3 | ||||
| 192 | G | 33.2 | Very low | 41.6 | Very low | 74 Ų | 74 | 144.8 Ų | 144.8 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | cis | 107 | 81.9 | 48.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 193 | H | 43.9 | Very low | 41.6 | Very low | 191 Ų | 191 | 145 Ų | 145 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -66.9 | 159.9 | 176.9 | -91.2 | -86.3 | 0 | 0 | 0 | 112.8 | ||||
| 194 | P | 48.2 | Very low | 41.9 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -136.9 | 129.5 | 124.2 | 32.3 | -16.9 | 0 | 0 | 0 | 114.6 | |||||
| 195 | N | 35.6 | Very low | 42.6 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | 62.6 | 125.2 | 143 | -114.5 | -0 | 0 | 0 | 0 | 119.1 | ||||
| 196 | M | 41.5 | Very low | 42.6 | Very low | 168 Ų | 168 | 148 Ų | 148 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | cis | -158.4 | 141.1 | 28.6 | -76.7 | 179.8 | 170.4 | 0 | 0 | 111.1 | ||||
| 197 | G | 37.5 | Very low | 42.5 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 87.8 | 90.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 198 | G | 41.1 | Very low | 41.9 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -80.6 | -177.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 199 | P | 49.5 | Very low | 41.5 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | cis | -146.4 | 160.2 | 45.4 | 36.9 | -15.4 | 0 | 0 | 0 | 118.5 | ||||
| 200 | M | 39.2 | Very low | 41.3 | Very low | 184 Ų | 184 | 145 Ų | 145 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | 59.6 | 127.4 | 138.3 | -68 | -166.1 | -155.1 | 0 | 0 | 124.5 | ||||
| 201 | R | 44.8 | Very low | 40.8 | Very low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -36.7 | 148.9 | 151.9 | -64 | 170.1 | 166.3 | -91.2 | -0.7 | 114.8 | ||||
| 202 | M | 39.5 | Very low | 41.2 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | -173 | 146.3 | 120.9 | -155.2 | 53.5 | 168.9 | 0 | 0 | 114.4 | |||||
| 203 | N | 45.1 | Very low | 41.6 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -39.9 | 158 | 167.5 | -104 | 14 | 0 | 0 | 0 | 116.7 | ||||
| 204 | P | 44.3 | Very low | 41.1 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -94.9 | 123.3 | 157 | 33.8 | -24.1 | 0 | 0 | 0 | 111.5 | ||||
| 205 | P | 52.1 | Low | 40.6 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | trans | -106.3 | 125.3 | 167.3 | 34.1 | -23.1 | 0 | 0 | 0 | 112.3 | ||||
| 206 | R | 42.3 | Very low | 40.5 | Very low | 251 Ų | 251 | 144.6 Ų | 144.6 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | 17.2 | 113.1 | 128.9 | -158.3 | 172.6 | -171.8 | 133.7 | -0.6 | 118.8 | |||||
| 207 | G | 36.9 | Very low | 40.5 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | 77.6 | 134.6 | 124.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 208 | M | 36.9 | Very low | 41.3 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 96% | 0.956 | 83% | 0.833 | S | S | * | * | trans | 89.3 | 113.1 | 151.6 | -68.6 | -176.8 | 169 | 0 | 0 | 122.1 | ||||
| 209 | A | 35.1 | Very low | 41.6 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | 85.9 | 137.9 | 124.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 210 | M | 34.8 | Very low | 41.6 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 93% | 0.931 | 84% | 0.837 | S | S | * | * | trans | 92.9 | 88.6 | 147.3 | -81.9 | -76.2 | -167.8 | 0 | 0 | 122.8 | ||||
| 211 | G | 37.6 | Very low | 42.8 | Very low | 74 Ų | 74 | 150.3 Ų | 150.3 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | 69.3 | 166.7 | 127.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 212 | P | 46.3 | Very low | 42.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | cis | -133.8 | -177.9 | -2.7 | 36.9 | -16 | 0 | 0 | 0 | 116.3 | ||||
| 213 | Q | 40.4 | Very low | 43.2 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | 106.8 | 78.7 | 161.1 | -62.2 | -175.3 | -35.5 | 0 | 0 | 120.4 | ||||
| 214 | N | 35.2 | Very low | 42.6 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | 23.9 | 117.4 | 123.6 | -164.9 | 29 | 0 | 0 | 0 | 120.9 | |||||
| 215 | Y | 36.1 | Very low | 42.2 | Very low | 230 Ų | 230 | 146.3 Ų | 146.3 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | -167.4 | 106.2 | 124.8 | -110.1 | -80 | 0 | 0 | 0 | 111.3 | |||||
| 216 | G | 34.7 | Very low | 41.3 | Very low | 76 Ų | 76 | 144.5 Ų | 144.5 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | trans | 63.5 | 119.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 217 | G | 41 | Very low | 40.8 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | cis | 118.8 | 100.5 | 27.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 218 | M | 54.9 | Low | 41 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 100% | 0.995 | 83% | 0.834 | S | S | * | * | trans | -63.8 | 141.7 | 176.8 | -71.6 | -135.1 | -172.3 | 0 | 0 | 113.4 | ||||
| 219 | R | 47.4 | Very low | 41.3 | Very low | 238 Ų | 238 | 137.1 Ų | 137.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -149.3 | 132.6 | 160 | -153.1 | 174.2 | -169.1 | -111.3 | 2.8 | 111.7 | ||||
| 220 | P | 49.7 | Very low | 41.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -104.3 | -168.6 | 179 | 44.2 | -35.9 | 0 | 0 | 0 | 112.5 | ||||
| 221 | P | 64.2 | Low | 41.9 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | -92.9 | -177.2 | -116.3 | 35.7 | -15.2 | 0 | 0 | 0 | 114.9 | |||||
| 222 | P | 42.3 | Very low | 42 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | -154.2 | 153.5 | 111.3 | 36.1 | -16.7 | 0 | 0 | 0 | 116.3 | |||||
| 223 | N | 48.9 | Very low | 41.6 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -86.1 | 120.7 | 166.7 | -144.7 | 55.6 | 0 | 0 | 0 | 108.7 | ||||
| 224 | S | 32.8 | Very low | 41.4 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | -169.6 | 124.7 | 169.3 | -174.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 225 | M | 37.3 | Very low | 41.3 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | trans | 78.7 | 119.4 | 143.6 | -77.4 | 175.9 | 166.5 | 0 | 0 | 123.3 | ||||
| 226 | G | 32.7 | Very low | 41.6 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 157.3 | 96.2 | 146 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 227 | G | 31.8 | Very low | 41.6 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -72.9 | -164.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 228 | P | 41.1 | Very low | 41.3 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | cis | -131.7 | 162.7 | 17.4 | 39.4 | -21 | 0 | 0 | 0 | 117 | ||||
| 229 | M | 43.8 | Very low | 40.4 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 159.4 | 162.4 | -75.7 | -82.1 | -90.8 | 0 | 0 | 109.8 | ||||
| 230 | P | 43.8 | Very low | 40 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | -152.8 | 147.1 | 58.5 | 38.3 | -15.6 | 0 | 0 | 0 | 118.6 | |||||
| 231 | G | 37.3 | Very low | 39.7 | Very low | 71 Ų | 71 | 125.1 Ų | 125.1 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -147.1 | 69.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 232 | M | 40.3 | Very low | 38.4 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -71.6 | 127.6 | 167.7 | -98.4 | 85.3 | 134.2 | 0 | 0 | 109.1 | ||||
| 233 | N | 37.9 | Very low | 38.7 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -136.7 | 119.9 | 132.2 | -168.3 | 38.2 | 0 | 0 | 0 | 109.6 | ||||
| 234 | M | 35.5 | Very low | 37.9 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -55 | 133.4 | 175.1 | -70.2 | 158.6 | 143.1 | 0 | 0 | 110.4 | ||||
| 235 | G | 33 | Very low | 38.5 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | 105.8 | 170.6 | 81.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 236 | P | 43.3 | Very low | 38.2 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | cis | -115.4 | 151.5 | -16.1 | 36.2 | -20.4 | 0 | 0 | 0 | 111.2 | ||||
| 237 | G | 34.3 | Very low | 38.3 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | 84 | 108.1 | 69.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 238 | G | 35.2 | Very low | 38.8 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 167.5 | 110.6 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 239 | R | 35.2 | Very low | 38.5 | Very low | 251 Ų | 251 | 130.5 Ų | 130.5 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 157.6 | 174.8 | -66.8 | 162.7 | 168.1 | -110.5 | -0.9 | 111.3 | ||||
| 240 | G | 39.6 | Very low | 38.3 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -56.4 | 169.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 241 | P | 43.1 | Very low | 37.9 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -145.4 | 159.3 | 87.5 | 36.8 | -19.7 | 0 | 0 | 0 | 114.9 | |||||
| 242 | W | 36.4 | Very low | 37.6 | Very low | 250 Ų | 250 | 135.5 Ų | 135.5 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -53.6 | 140.5 | 163.3 | -70.7 | 88.5 | 0 | 0 | 0 | 112.2 | ||||
| 243 | P | 49.8 | Very low | 37.2 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -112.5 | 138.7 | 144.3 | 22.9 | -6.2 | 0 | 0 | 0 | 110.7 | ||||
| 244 | G | 32.6 | Very low | 37 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -72.1 | -162 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 245 | P | 43.8 | Very low | 37 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -84.2 | 161.6 | -147.1 | 34.5 | -35.9 | 0 | 0 | 0 | 114.4 | ||
| 246 | N | 32.4 | Very low | 37 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | 91.1 | 107.9 | 171.6 | -64.1 | -20.5 | 0 | 0 | 0 | 117.7 | ||||
| 247 | A | 33.4 | Very low | 37.1 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | -169.9 | 125.7 | 124.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S249 | A247-S249 PolarHBondContact O-N 3.45Š| |||
| 248 | N | 42.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -51 | 124.4 | 165 | -72 | -55.6 | 0 | 0 | 0 | 111.2 | ||||
| 249 | S | 34.6 | Very low | 37.2 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -148.5 | 108.2 | 154.9 | 60.2 | 0 | 0 | 0 | 0 | 111 | A247 | A247-S249 PolarHBondContact O-N 3.45Š| ||
| 250 | I | 39.8 | Very low | 37.2 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -70 | 127 | 170.2 | -62.4 | 101.7 | 0 | 0 | 0 | 108.5 | Y252 | I250-Y252 HydrophobicContact CG2-CD2 3.38Å; I250-Y252 HydrophobicContact CG2-CE2 3.58Å; I250-Y252 HydrophobicContact CG2-CG 4.33Å | ||
| 251 | A | 35.1 | Very low | 37.1 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -104.1 | 100.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 252 | Y | 30.8 | Very low | 37 | Very low | 210 Ų | 210 | 131.3 Ų | 131.3 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 131.7 | 164.8 | -89.5 | -84 | 0 | 0 | 0 | 109.8 | I250 | I250-Y252 HydrophobicContact CG2-CD2 3.38Å; I250-Y252 HydrophobicContact CG2-CE2 3.58Å; I250-Y252 HydrophobicContact CG2-CG 4.33Å | ||
| 253 | S | 32.1 | Very low | 37.8 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -162.5 | 94.5 | 160.7 | -68.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 254 | S | 34.7 | Very low | 37.8 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | 82.7 | 118.2 | 77.3 | 67.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 255 | S | 34.3 | Very low | 38.1 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 73.2 | 136.2 | 147.4 | -41.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 256 | S | 33.5 | Very low | 38.4 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -177.2 | -177.9 | 20.4 | -115.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 257 | P | 46.5 | Very low | 38.5 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -109.1 | 168.5 | -131.2 | 42.9 | -38.8 | 0 | 0 | 0 | 118.2 | ||||
| 258 | G | 33.5 | Very low | 39.1 | Very low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -145.4 | 116.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 259 | N | 36.7 | Very low | 39.4 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -83.2 | 127.2 | -173.7 | 179.3 | 77.4 | 0 | 0 | 0 | 112.6 | ||||
| 260 | Y | 34.9 | Very low | 40.2 | Very low | 232 Ų | 232 | 118.8 Ų | 118.8 | 91% | 0.91 | 80% | 0.802 | S | S | * | * | trans | -155.6 | 136.6 | 154.5 | -116.6 | -84.1 | 0 | 0 | 0 | 114 | ||||
| 261 | V | 37.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -79.7 | 137.4 | -167.6 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 262 | G | 42.3 | Very low | 40.9 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -82.4 | 172.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 263 | P | 52.1 | Low | 41.4 | Very low | 130 Ų | 130 | 113.2 Ų | 113.2 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -147 | -169.7 | 126.9 | 46.9 | -30.6 | 0 | 0 | 0 | 112 | |||||
| 264 | P | 50.1 | Low | 42.2 | Very low | 126 Ų | 126 | 115.1 Ų | 115.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -118.1 | 155.5 | -114.2 | 23.3 | 1.4 | 0 | 0 | 0 | 115.2 | |||||
| 265 | G | 39.6 | Very low | 42.6 | Very low | 79 Ų | 79 | 117.6 Ų | 117.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 87.6 | 118 | 144 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 266 | G | 49.2 | Very low | 43.5 | Very low | 87 Ų | 87 | 117.5 Ų | 117.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | 75.1 | 101 | 130.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 267 | G | 35.3 | Very low | 43.8 | Very low | 81 Ų | 81 | 117.1 Ų | 117.1 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 168.8 | 86.8 | 162 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 268 | G | 45.8 | Very low | 43.8 | Very low | 78 Ų | 78 | 116.9 Ų | 116.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 135.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 269 | P | 49.4 | Very low | 44.1 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 166.6 | 173.1 | 33.9 | -30 | 0 | 0 | 0 | 113.2 | ||||
| 270 | P | 50.5 | Low | 44.5 | Very low | 128 Ų | 128 | 117 Ų | 117 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -108.9 | 156.5 | -136.8 | 38.9 | -33 | 0 | 0 | 0 | 115.2 | ||||
| 271 | G | 47.2 | Very low | 44.6 | Very low | 75 Ų | 75 | 111.2 Ų | 111.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 110.8 | 69.4 | 148 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 272 | T | 42.1 | Very low | 45.2 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | trans | -150.1 | 132.1 | 147.5 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | I274 | T272-I274 PolarHBondContact O-N 3.24Å; T272-I274 VanDerWaalsContact O-N 3.15Å | ||
| 273 | P | 41.3 | Very low | 45 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -69.9 | 111.5 | 173 | 27.7 | -29.9 | 0 | 0 | 0 | 109.3 | M275 | P273-M275 PolarHBondContact O-N 2.99Š| ||
| 274 | I | 49.9 | Very low | 44.5 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 113 | 174.2 | -62.5 | 173.3 | 0 | 0 | 0 | 107.7 | T272 | T272-I274 PolarHBondContact O-N 3.24Å; T272-I274 VanDerWaalsContact O-N 3.15Å | ||
| 275 | M | 43.5 | Very low | 44.4 | Very low | 156 Ų | 156 | 112.5 Ų | 112.5 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 134.3 | 164.9 | -150.4 | -178.3 | 78.2 | 0 | 0 | 108 | P273 S277 | P273-M275 PolarHBondContact O-N 2.99Å; M275-S277 PolarHBondContact O-N 2.81Å |
| 276 | P | 52.7 | Low | 45 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.6 | 177.3 | 26.1 | -30.7 | 0 | 0 | 0 | 109.3 | ||
| 277 | S | 38.5 | Very low | 45 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57 | 133.2 | 167.7 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | M275 G279 | M275-S277 PolarHBondContact O-N 2.81Å; S277-G279 PolarHBondContact O-N 3.18Å |
| 278 | P | 47.5 | Very low | 45.8 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -62.3 | 107.5 | 167.6 | -17.4 | 30.5 | 0 | 0 | 0 | 108.2 | ||||
| 279 | G | 39.9 | Very low | 45.7 | Very low | 57 Ų | 57 | 125.7 Ų | 125.7 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 146.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S277 S281 | S277-G279 PolarHBondContact O-N 3.18Å; G279-S281 PolarHBondContact O-N 2.94Å | ||
| 280 | D | 43.9 | Very low | 45.8 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -41.1 | 117.6 | 167.8 | -56.7 | -69.7 | 0 | 0 | 0 | 110.9 | ||||
| 281 | S | 38.3 | Very low | 45.7 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -136.8 | 95.7 | 168.4 | -74.8 | 0 | 0 | 0 | 0 | 108.5 | G279 N283 | G279-S281 PolarHBondContact O-N 2.94Å; S281-N283 VanDerWaalsContact C-N 3.27Å; S281-N283 PolarHBondContact O-N 3.42Å | ||
| 282 | T | 49.6 | Very low | 45.8 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | trans | -56.9 | 86.6 | 158.9 | 9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 283 | N | 39.3 | Very low | 45.6 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -153 | 120.2 | 159.6 | -148.4 | -36.7 | 0 | 0 | 0 | 112.3 | S281 | S281-N283 VanDerWaalsContact C-N 3.27Å; S281-N283 PolarHBondContact O-N 3.42Å | ||
| 284 | S | 41.4 | Very low | 45.9 | Very low | 54 Ų | 54 | 129.6 Ų | 129.6 | 38% | 0.378 | 74% | 0.735 | S | S | . | * | trans | 60.3 | 101.5 | 150 | 47.7 | 0 | 0 | 0 | 0 | 121.3 | E286 | S284-E286 WeakPolarHBondContact CB-OE2 3.48Å; S284-E286 PolarHBondContact O-N 2.74Å | ||
| 285 | S | 47.3 | Very low | 46 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 31.2 | 156.4 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 286 | E | 52.6 | Low | 45.9 | Very low | 136 Ų | 136 | 124 Ų | 124 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -9.2 | -167.2 | -68.1 | 166.8 | 159.9 | 0 | 0 | 114 | S284 I288 | S284-E286 WeakPolarHBondContact CB-OE2 3.48Å; S284-E286 PolarHBondContact O-N 2.74Å; E286-I288 PolarHBondContact O-N 3.29Å |
| 287 | N | 48.3 | Very low | 45.6 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -8.4 | -174.2 | -84.3 | -41.7 | 0 | 0 | 0 | 116 | M291 | N287-M291 WeakPolarHBondContact O-CE 3.39Š|
| 288 | I | 52.8 | Low | 45.8 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -25.7 | -177.8 | -55.7 | -168.1 | 0 | 0 | 0 | 112.1 | E286 | E286-I288 PolarHBondContact O-N 3.29Š|
| 289 | Y | 44 | Very low | 45.4 | Very low | 212 Ų | 212 | 121.1 Ų | 121.1 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -17 | 179.3 | -76 | -77.3 | 0 | 0 | 0 | 114.4 | ||
| 290 | T | 51.2 | Low | 45.1 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -87.7 | -16.9 | -174.9 | -49.8 | 0 | 0 | 0 | 0 | 113.8 | M292 | T290-M292 PolarHBondContact O-N 2.95Š|
| 291 | M | 48.3 | Very low | 45 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -74.9 | -5.8 | 178.4 | -75.9 | -173.2 | -80.4 | 0 | 0 | 114.5 | N287 | N287-M291 WeakPolarHBondContact O-CE 3.39Š|
| 292 | M | 48.7 | Very low | 45.1 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -108.5 | 15.7 | -176.8 | -96.6 | 149.2 | 154.2 | 0 | 0 | 114.8 | T290 | T290-M292 PolarHBondContact O-N 2.95Š|
| 293 | N | 38.9 | Very low | 44.2 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 57% | 0.572 | 74% | 0.74 | S | S | * | * | trans | -130.3 | 118.2 | 177.3 | -156 | 39.7 | 0 | 0 | 0 | 111.1 | I295 | N293-I295 PolarHBondContact ND2-O 2.98Å; N293-I295 VanDerWaalsContact ND2-O 3.16Å; N293-I295 PolarHBondContact O-N 3.09Å | ||
| 294 | P | 46.8 | Very low | 43.9 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -78.2 | 20.1 | 178.5 | 32.4 | -32.5 | 0 | 0 | 0 | 113.2 | ||
| 295 | I | 51.5 | Low | 44.3 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 65% | 0.646 | 76% | 0.764 | S | S | * | * | trans | -133.1 | 101.6 | -177.1 | -59 | 171.7 | 0 | 0 | 0 | 108.2 | N293 | N293-I295 PolarHBondContact ND2-O 2.98Å; N293-I295 VanDerWaalsContact ND2-O 3.16Å; N293-I295 PolarHBondContact O-N 3.09Å | ||
| 296 | G | 42.8 | Very low | 43.8 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 146.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G298 | G296-G298 PolarHBondContact O-N 3.32Š|
| 297 | P | 46.8 | Very low | 42.8 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.1 | 172.3 | 27.7 | -30 | 0 | 0 | 0 | 110 | ||
| 298 | G | 42.6 | Very low | 42.6 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62 | 144.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G296 | G296-G298 PolarHBondContact O-N 3.32Š|
| 299 | G | 39.1 | Very low | 41.8 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -177 | 108.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 300 | N | 32.8 | Very low | 42 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 73.1 | 90.9 | 163.9 | -71.1 | -13.6 | 0 | 0 | 0 | 120 | ||||
| 301 | R | 42.5 | Very low | 41.4 | Very low | 240 Ų | 240 | 132.3 Ų | 132.3 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.7 | 153.7 | -67.5 | 174.4 | 170.8 | -179.1 | -3.9 | 110.5 | N303 | R301-N303 PolarHBondContact O-N 3.03Š|
| 302 | P | 39.3 | Very low | 40.7 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.7 | 157.9 | -14.4 | 29 | 0 | 0 | 0 | 109.7 | F304 | P302-F304 PolarHBondContact O-N 3.26Š|
| 303 | N | 31.5 | Very low | 40.6 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 122.6 | 172.1 | -175.2 | 68 | 0 | 0 | 0 | 112.5 | R301 | R301-N303 PolarHBondContact O-N 3.03Š|
| 304 | F | 32.2 | Very low | 40.8 | Very low | 191 Ų | 191 | 130 Ų | 130 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.5 | 162.6 | -77.8 | -89.6 | 0 | 0 | 0 | 109.5 | P302 | P302-F304 PolarHBondContact O-N 3.26Š|
| 305 | P | 49.8 | Very low | 40.6 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 123.4 | 159 | 30.4 | -25.4 | 0 | 0 | 0 | 108.9 | ||
| 306 | M | 38.3 | Very low | 40 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 98% | 0.98 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 134.9 | 175 | -135 | -153.6 | -65.8 | 0 | 0 | 110.7 | ||
| 307 | G | 31.1 | Very low | 39.8 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | 137.5 | 151.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 308 | P | 43.6 | Very low | 39.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | cis | -120.9 | 134.5 | -17.8 | 34.3 | -17.7 | 0 | 0 | 0 | 112.1 | ||||
| 309 | G | 37.1 | Very low | 39 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -93.9 | 134.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 310 | P | 46.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | trans | -85 | 150.3 | 175.1 | 35.2 | -31 | 0 | 0 | 0 | 111 | ||||
| 311 | D | 38.9 | Very low | 38.8 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | 89.4 | 101.5 | 154.6 | -48.5 | -38.5 | 0 | 0 | 0 | 120.2 | ||||
| 312 | G | 34.5 | Very low | 39.2 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 142 | 144.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 313 | P | 45.9 | Very low | 39.2 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -110.5 | 151.5 | -135.5 | 38.2 | -30 | 0 | 0 | 0 | 118.3 | ||||
| 314 | M | 43.3 | Very low | 39.8 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 96% | 0.956 | 82% | 0.819 | S | S | * | * | trans | 46.8 | 130.5 | 145.2 | -82.6 | -158 | -70.3 | 0 | 0 | 124.2 | ||||
| 315 | G | 43.3 | Very low | 40.2 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 161.7 | 83.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 316 | A | 38 | Very low | 39.7 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | 75.3 | 121.5 | 88 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 317 | M | 38.2 | Very low | 39.6 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 99% | 0.985 | 82% | 0.815 | S | S | * | * | trans | 76.5 | 138.7 | 162.9 | -57.6 | -176.1 | 179.9 | 0 | 0 | 117.6 | ||||
| 318 | G | 35.1 | Very low | 39.7 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | 179.4 | 158.9 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 319 | A | 36.8 | Very low | 39.7 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -72.9 | 155.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 320 | M | 35.4 | Very low | 39.7 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 96% | 0.956 | 82% | 0.821 | S | S | * | * | 165.8 | 143.6 | 115 | -96.2 | 172.3 | 166.7 | 0 | 0 | 113.6 | |||||
| 321 | E | 33.9 | Very low | 39.4 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -75.3 | 176.3 | -176.5 | -116.8 | -160.5 | 82.6 | 0 | 0 | 115.2 | ||||
| 322 | P | 50.6 | Low | 39.5 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 54% | 0.539 | 82% | 0.824 | S | S | . | * | trans | -98.2 | 160.4 | -161.1 | 40.1 | -37.1 | 0 | 0 | 0 | 115 | ||||
| 323 | H | 39.1 | Very low | 40.1 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -145.9 | 145 | 163.4 | -71.4 | -53.2 | 0 | 0 | 0 | 114.4 | ||||
| 324 | H | 44.3 | Very low | 40.4 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -85.5 | 150.7 | -179.1 | -46.9 | -98.8 | 0 | 0 | 0 | 112 | ||||
| 325 | M | 40.3 | Very low | 40.7 | Very low | 196 Ų | 196 | 136 Ų | 136 | 97% | 0.966 | 83% | 0.828 | S | S | * | * | trans | -158 | 142.2 | 156.1 | -147.7 | 68.6 | 177.6 | 0 | 0 | 113.5 | ||||
| 326 | N | 38.8 | Very low | 40.3 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -88.2 | 162.5 | -172.9 | 174.8 | 32.7 | 0 | 0 | 0 | 114.5 | ||||
| 327 | G | 35.7 | Very low | 40.6 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 83% | 0.832 | S | S | * | * | trans | 138.1 | 140.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 328 | S | 34.3 | Very low | 41.1 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | cis | -173.7 | 135.9 | 23.6 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 329 | L | 44.1 | Very low | 41.2 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | 33 | 122.8 | 141.2 | -55.1 | 167.2 | 0 | 0 | 0 | 123.9 | ||||
| 330 | G | 35.8 | Very low | 41 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | 107.6 | 118.5 | 103.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 331 | S | 41.4 | Very low | 41.3 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | 99.9 | 132.7 | 134.6 | -156.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 332 | G | 41.3 | Very low | 42 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 159.4 | 66.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 333 | D | 46 | Very low | 41.4 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 83% | 0.831 | S | S | * | * | trans | -70.6 | 143.1 | 173 | -48.5 | -83.8 | 0 | 0 | 0 | 113.6 | ||||
| 334 | M | 52.2 | Low | 41.4 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 96% | 0.956 | 83% | 0.825 | S | S | * | * | trans | -155.2 | 101.5 | 160.9 | -96.8 | -81.1 | -158.9 | 0 | 0 | 109.8 | ||||
| 335 | D | 49.7 | Very low | 41.2 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -79.7 | 149.6 | 170.1 | -76.9 | -62.7 | 0 | 0 | 0 | 112.5 | ||||
| 336 | G | 34.5 | Very low | 40.9 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 143.7 | 70.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 337 | L | 45.2 | Very low | 40.8 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | 64.1 | 164.4 | 143.9 | -58.3 | 171.4 | 0 | 0 | 0 | 120.7 | ||||
| 338 | P | 49.3 | Very low | 40.9 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | -127.1 | 144 | -65 | 34.9 | -18.3 | 0 | 0 | 0 | 112.6 | S340 | P338-S340 PolarHBondContact O-N 3.16Š| |||
| 339 | K | 36.2 | Very low | 41 | Very low | 212 Ų | 212 | 136.7 Ų | 136.7 | 92% | 0.922 | 84% | 0.835 | S | S | * | * | trans | -84.8 | 103.5 | 163.4 | -80.5 | 178.1 | 175.5 | 173.7 | 0 | 109 | S341 | K339-S341 PolarHBondContact O-N 3.42Š| ||
| 340 | S | 33.6 | Very low | 40.9 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -62.3 | 114.3 | 168.1 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | P338 | P338-S340 PolarHBondContact O-N 3.16Š| ||
| 341 | S | 40.9 | Very low | 41.6 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -82.5 | 164.8 | 152.3 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | K339 | K339-S341 PolarHBondContact O-N 3.42Š| ||
| 342 | P | 49.6 | Very low | 41.6 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | -139.2 | 121.8 | 113.4 | 32.7 | -18 | 0 | 0 | 0 | 111.5 | |||||
| 343 | N | 37 | Very low | 41.3 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -142.3 | 118.6 | 131 | -118.5 | 20 | 0 | 0 | 0 | 109 | ||||
| 344 | N | 38.5 | Very low | 41.2 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -93.7 | 161.9 | -174.1 | -172.2 | 20.3 | 0 | 0 | 0 | 110 | ||||
| 345 | M | 41.4 | Very low | 40.9 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | 80.3 | 121.2 | 176.2 | -68.1 | 172.2 | 174.7 | 0 | 0 | 115.3 | ||||
| 346 | G | 34.7 | Very low | 40.6 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | cis | 143.3 | 105 | 12 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 347 | G | 35.4 | Very low | 41 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 45.8 | 110.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 348 | M | 38.2 | Very low | 40.8 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | 178.4 | 91.7 | 117.7 | -94.7 | 145.2 | 177.1 | 0 | 0 | 110.4 | |||||
| 349 | N | 36.1 | Very low | 40.1 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -80.9 | 120.8 | 158.1 | -84.5 | -66.4 | 0 | 0 | 0 | 107.4 | ||||
| 350 | N | 41.7 | Very low | 40.5 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -123.4 | 129.9 | 163.8 | -152.8 | 65.1 | 0 | 0 | 0 | 108.1 | ||||
| 351 | P | 50.3 | Low | 40.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | trans | -70.6 | 156.7 | 175.6 | 30.1 | -32.9 | 0 | 0 | 0 | 110.7 | G353 | P351-G353 PolarHBondContact O-N 3.5Š| ||
| 352 | P | 41.4 | Very low | 40.6 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -73 | 99.7 | 179.5 | 28.6 | -30.7 | 0 | 0 | 0 | 109.8 | ||||
| 353 | G | 36.6 | Very low | 40 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | trans | -83.7 | 130 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P351 | P351-G353 PolarHBondContact O-N 3.5Š| ||
| 354 | T | 43 | Very low | 40.1 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -59.2 | 132.5 | 169.8 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 355 | P | 45 | Very low | 40.1 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | trans | -90.2 | 114.6 | 157.5 | -4.7 | 24.2 | 0 | 0 | 0 | 109.1 | ||||
| 356 | R | 43.8 | Very low | 39.9 | Very low | 223 Ų | 223 | 138.1 Ų | 138.1 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | -78.7 | 118.7 | 162.1 | 177.2 | 177.5 | -175.7 | 152.1 | 0.5 | 106.9 | ||||
| 357 | D | 43.2 | Very low | 40 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -151.6 | 124 | 156.8 | -143 | -106.6 | 0 | 0 | 0 | 109.8 | ||||
| 358 | D | 40.6 | Very low | 40.2 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 83% | 0.828 | S | S | * | * | trans | -73.3 | 140 | 174.9 | -76.3 | -85.9 | 0 | 0 | 0 | 110.6 | ||||
| 359 | G | 35.4 | Very low | 40.3 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 169.5 | 92.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 360 | E | 43.6 | Very low | 40.3 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -47.7 | 133.9 | 165.5 | -75.6 | 156.9 | 65.9 | 0 | 0 | 114.1 | ||||
| 361 | M | 37.8 | Very low | 40.1 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 95% | 0.946 | 81% | 0.812 | S | S | * | * | 177.7 | 127.2 | 121.6 | -100.4 | 176.8 | 179.3 | 0 | 0 | 112.2 | |||||
| 362 | G | 40 | Very low | 39.4 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | -74.2 | 162.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 363 | G | 37 | Very low | 39.4 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -148.4 | 94.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 364 | N | 38.8 | Very low | 39.4 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -54 | 140.6 | 150.8 | -79.6 | -10.6 | 0 | 0 | 0 | 109.1 | ||||
| 365 | F | 37.3 | Very low | 39.1 | Very low | 214 Ų | 214 | 150.3 Ų | 150.3 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | -160.3 | 107.1 | 130.6 | -89.3 | -65.9 | 0 | 0 | 0 | 110.4 | ||||
| 366 | L | 39.1 | Very low | 39.3 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | trans | -76.2 | 145.4 | 159.1 | -79.9 | 158 | 0 | 0 | 0 | 109.9 | ||||
| 367 | N | 36.1 | Very low | 39 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 54.6 | 127 | 151.2 | -79.4 | -9.1 | 0 | 0 | 0 | 121.4 | ||||
| 368 | P | 39.4 | Very low | 39.2 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -113.9 | 77.9 | 143 | 34.8 | -21.1 | 0 | 0 | 0 | 110.3 | ||||
| 369 | F | 40.7 | Very low | 39.4 | Very low | 185 Ų | 185 | 147.1 Ų | 147.1 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -125.6 | 80.7 | 157.4 | -84.5 | -72.1 | 0 | 0 | 0 | 108.6 | ||||
| 370 | Q | 35.4 | Very low | 39.7 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -151.6 | 97.7 | 152.8 | -71.3 | -149.8 | -9.1 | 0 | 0 | 104.7 | ||||
| 371 | S | 38.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | 99.3 | 91.3 | 85 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 372 | E | 34.8 | Very low | 39.9 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | -131 | 99.2 | 154.3 | -101.8 | 157.6 | 116.2 | 0 | 0 | 108.8 | Y374 | E372-Y374 PolarHBondContact O-N 3.46Š| ||
| 373 | S | 41.7 | Very low | 39.9 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -58.3 | 114.5 | 165.3 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 374 | Y | 35.5 | Very low | 40 | Very low | 227 Ų | 227 | 156.5 Ų | 156.5 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | trans | -128.2 | 109.3 | 159.2 | -122.8 | -90.5 | 0 | 0 | 0 | 109.2 | E372 | E372-Y374 PolarHBondContact O-N 3.46Š| ||
| 375 | S | 36.9 | Very low | 40.1 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 72% | 0.72 | 85% | 0.846 | S | S | * | * | trans | -79.6 | 152.8 | 171.3 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 376 | P | 49.7 | Very low | 40.3 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | trans | -82.2 | 131.8 | -170.5 | 33.2 | -31.2 | 0 | 0 | 0 | 110.5 | ||||
| 377 | N | 37 | Very low | 40.3 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -110 | 106 | 163.8 | -142.6 | -33.7 | 0 | 0 | 0 | 108.7 | T379 | N377-T379 PolarHBondContact O-N 3.42Š| ||
| 378 | M | 47.2 | Very low | 40.6 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | trans | -65.5 | 121.6 | 170.7 | -82.1 | 149.4 | 138.5 | 0 | 0 | 109.3 | ||||
| 379 | T | 45.5 | Very low | 40.7 | Very low | 127 Ų | 127 | 157 Ų | 157 | 78% | 0.779 | 85% | 0.853 | S | S | * | * | trans | -119.9 | 109.7 | 152.4 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | N377 | N377-T379 PolarHBondContact O-N 3.42Š| ||
| 380 | M | 42.3 | Very low | 40.7 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 89% | 0.892 | 86% | 0.857 | S | S | * | * | trans | -80.6 | 118.1 | 166.3 | -86.6 | -93.6 | -173.5 | 0 | 0 | 107 | ||||
| 381 | S | 42 | Very low | 41.1 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 86% | 0.857 | S | S | * | * | trans | -105.8 | 107.3 | 162 | -67.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 382 | V | 42.5 | Very low | 41.4 | Very low | 218 Ų | 218 | 157.3 Ų | 157.3 | 100% | 1.321 | 87% | 0.871 | S | S | * | * | trans | -147.7 | 0 | 138.9 | -176.5 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 382 of 382 residues in 117 ms
(Link to these results)