| 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 | 40.6 | Very low | 50.8 | Low | 241 Ų | 241 | 147 Ų | 147 | 100% | 1.187 | 81% | 0.812 | S | S | * | * | 0 | 103.5 | 0 | -69.1 | 175.2 | 173.1 | 0 | 0 | 107.2 | |||||
| 2 | Y | 36.4 | Very low | 53.6 | Low | 237 Ų | 237 | 139.5 Ų | 139.5 | 93% | 0.929 | 78% | 0.778 | S | S | * | * | trans | -83.8 | 126.8 | -178.4 | -66.3 | -79 | 0 | 0 | 0 | 109.5 | K4 | Y2-K4 PolarHBondContact O-N 2.95Š| ||
| 3 | A | 44.1 | Very low | 56.2 | Low | 101 Ų | 101 | 138.8 Ų | 138.8 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -60.1 | 121 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | G5 | A3-G5 PolarHBondContact O-N 3.23Å; A3-G5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | K | 42.7 | Very low | 58.4 | Low | 207 Ų | 207 | 133.8 Ų | 133.8 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | trans | -54.9 | 113.5 | 175.1 | -169.9 | 170.6 | -178.2 | 175.6 | 0 | 108.6 | Y2 K6 | Y2-K4 PolarHBondContact O-N 2.95Å; K4-K6 PolarHBondContact O-N 3.34Å | ||
| 5 | G | 48.3 | Very low | 60.3 | Low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | trans | -52.4 | 130.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A3 S7 | A3-G5 PolarHBondContact O-N 3.23Å; A3-G5 VanDerWaalsContact O-N 3.11Å; G5-S7 PolarHBondContact O-N 3.4Å | ||
| 6 | K | 51.1 | Low | 62.2 | Low | 211 Ų | 211 | 126.8 Ų | 126.8 | 92% | 0.917 | 71% | 0.713 | S | S | * | * | trans | -60.5 | 102.6 | 167.4 | -76.6 | 173.9 | 176 | 174.2 | 0 | 106.7 | K4 S8 | K4-K6 PolarHBondContact O-N 3.34Å; K6-S8 PolarHBondContact O-N 3.32Å; K6-S8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | S | 45.6 | Very low | 63.8 | Low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -53.4 | 115.2 | 166.8 | 50.3 | 0 | 0 | 0 | 0 | 107.7 | G5 N9 | G5-S7 PolarHBondContact O-N 3.4Å; S7-N9 PolarHBondContact O-N 3.29Å | ||
| 8 | S | 50.1 | Low | 65.3 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -63.9 | 85.6 | 165.8 | 52.1 | 0 | 0 | 0 | 0 | 107.6 | K6 V10 | K6-S8 PolarHBondContact O-N 3.32Å; K6-S8 VanDerWaalsContact O-N 3.09Å; S8-V10 PolarHBondContact O-N 3.08Å; S8-V10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | N | 58.8 | Low | 66.6 | Low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -66.7 | 109.3 | 171.8 | -104.2 | -4.5 | 0 | 0 | 0 | 106.9 | S7 | S7-N9 PolarHBondContact O-N 3.29Š| ||
| 10 | V | 67.4 | Low | 67.9 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128.7 | 165.8 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | S8 S12 | S8-V10 PolarHBondContact O-N 3.08Å; S8-V10 VanDerWaalsContact O-N 3.08Å; V10-S12 PolarHBondContact O-N 3.15Å |
| 11 | P | 73.8 | Confident | 69.2 | Low | 83 Ų | 83 | 119.9 Ų | 119.9 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 130.7 | 178.7 | 22.5 | -30.8 | 0 | 0 | 0 | 108.9 | Q15 | P11-Q15 HydrophobicContact CB-CB 4.34Š|
| 12 | S | 83.9 | Confident | 71.7 | Confident | 57 Ų | 57 | 109.8 Ų | 109.8 | 40% | 0.399 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 154.8 | 174.5 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | V10 S14 Q15 A16 | V10-S12 PolarHBondContact O-N 3.15Å; S12-S14 PolarHBondContact O-N 2.96Å; S12-Q15 WeakPolarHBondContact O-CA 3.44Å; S12-Q15 WeakPolarHBondContact O-CB 3.38Å; S12-Q15 PolarHBondContact O-N 3.17Å; S12-A16 PolarHBondContact O-N 3.41Å |
| 13 | D | 88 | Confident | 74.4 | Confident | 130 Ų | 130 | 101.1 Ų | 101.1 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -53.4 | -32 | 177.5 | -70.6 | -34.6 | 0 | 0 | 0 | 112.6 | A16 R17 | D13-A16 PolarHBondContact O-N 2.85Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 WeakPolarHBondContact O-CG 3.4Å; D13-R17 PolarHBondContact O-N 3.49Å |
| 14 | S | 86.3 | Confident | 76.8 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 173.6 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | S12 A16 R17 E18 | S12-S14 PolarHBondContact O-N 2.96Å; S14-A16 VanDerWaalsContact C-N 3.31Å; S14-A16 PolarHBondContact O-N 3.05Å; S14-R17 PolarHBondContact O-N 3.42Å; S14-E18 WeakPolarHBondContact O-CG 3.31Å; S14-E18 PolarHBondContact O-N 3.26Å |
| 15 | Q | 88 | Confident | 79.2 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 176.5 | -67.9 | 175.9 | 12.6 | 0 | 0 | 111.8 | P11 S12 E18 K19 | P11-Q15 HydrophobicContact CB-CB 4.34Å; S12-Q15 WeakPolarHBondContact O-CA 3.44Å; S12-Q15 WeakPolarHBondContact O-CB 3.38Å; S12-Q15 PolarHBondContact O-N 3.17Å; Q15-E18 PolarHBondContact O-N 3.28Å; Q15-K19 WeakPolarHBondContact O-CB 3.2Å; Q15-K19 WeakPolarHBondContact O-CG 3.46Å; Q15-K19 PolarHBondContact O-N 3.37Å |
| 16 | A | 89.6 | Confident | 81.3 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S12 D13 S14 K19 L20 | S12-A16 PolarHBondContact O-N 3.41Å; D13-A16 PolarHBondContact O-N 2.85Å; S14-A16 VanDerWaalsContact C-N 3.31Å; S14-A16 PolarHBondContact O-N 3.05Å; A16-K19 PolarHBondContact O-N 3.13Å; A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 2.92Å |
| 17 | R | 89.4 | Confident | 83.3 | Confident | 189 Ų | 189 | 81.5 Ų | 81.5 | 71% | 0.713 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 176 | -73.6 | 171.1 | -174.6 | -163.3 | 2 | 112.2 | D13 S14 L20 A21 | D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 WeakPolarHBondContact O-CG 3.4Å; D13-R17 PolarHBondContact O-N 3.49Å; S14-R17 PolarHBondContact O-N 3.42Å; R17-L20 PolarHBondContact O-N 2.96Å; R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 2.99Å |
| 18 | E | 90.6 | Very high | 85.6 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 33% | 0.332 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.5 | -71.6 | -178.7 | 174.8 | 0 | 0 | 112 | S14 Q15 A21 L22 W46 K48 | S14-E18 WeakPolarHBondContact O-CG 3.31Å; S14-E18 PolarHBondContact O-N 3.26Å; Q15-E18 PolarHBondContact O-N 3.28Å; E18-A21 PolarHBondContact O-N 3.45Å; E18-L22 PolarHBondContact O-N 2.83Å; E18-L22 VanDerWaalsContact O-N 3.13Å; E18-W46 HydrophobicContact CB-CH2 4.24Å; E18-W46 HydrophobicContact CB-CZ3 4.41Å; E18-W46 WeakPolarHBondContact O-CH2 3.27Å; E18-K48 IonicContact OE1-NZ 2.69Å; E18-K48 PolarHBondContact OE1-NZ 3.13Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.81Å |
| 19 | K | 91.1 | Very high | 87.6 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.6 | -74.7 | -69.1 | -175.2 | 179.4 | 0 | 111.9 | Q15 A16 L22 Y23 | Q15-K19 WeakPolarHBondContact O-CB 3.2Å; Q15-K19 WeakPolarHBondContact O-CG 3.46Å; Q15-K19 PolarHBondContact O-N 3.37Å; A16-K19 PolarHBondContact O-N 3.13Å; K19-L22 PolarHBondContact O-N 3.18Å; K19-Y23 HydrophobicContact CB-CE2 4.16Å; K19-Y23 WeakPolarHBondContact O-CD2 3.45Å; K19-Y23 VanDerWaalsContact O-CG 3.32Å; K19-Y23 PolarHBondContact O-N 3.15Å |
| 20 | L | 93 | Very high | 89.1 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.4 | -179.5 | 62 | 0 | 0 | 0 | 111.3 | A16 R17 L22 Y23 V24 L59 | A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 2.92Å; R17-L20 PolarHBondContact O-N 2.96Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.3Å; L20-Y23 PolarHBondContact O-N 3.5Å; L20-Y23 VanDerWaalsContact O-N 3.17Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.29Å; L20-L59 HydrophobicContact CD1-CD1 4.34Å |
| 21 | A | 93.8 | Very high | 90.3 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R17 E18 Y23 V24 Y25 F40 I44 W46 | R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 2.99Å; E18-A21 PolarHBondContact O-N 3.45Å; A21-Y23 PolarHBondContact O-N 2.99Å; A21-V24 PolarHBondContact O-N 3.25Å; A21-Y25 PolarHBondContact O-N 3.06Å; A21-F40 HydrophobicContact CB-CE1 4.28Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.43Å; A21-I44 HydrophobicContact CB-CD1 3.95Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å |
| 22 | L | 93.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.5 | -174.8 | 147.1 | 0 | 0 | 0 | 112 | E18 K19 L20 Y25 E26 W46 | E18-L22 PolarHBondContact O-N 2.83Å; E18-L22 VanDerWaalsContact O-N 3.13Å; K19-L22 PolarHBondContact O-N 3.18Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.3Å; L22-Y25 PolarHBondContact O-N 3.5Å; L22-E26 PolarHBondContact O-N 2.91Å; L22-W46 HydrophobicContact CB-CH2 4.49Å; L22-W46 HydrophobicContact CB-CZ2 4.47Å; L22-W46 HydrophobicContact CD1-CZ2 4.49Å |
| 23 | Y | 93.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.8 | -30.9 | 179.7 | -59.2 | -44.6 | 0 | 0 | 0 | 113.3 | K19 L20 A21 Y27 F58 | K19-Y23 HydrophobicContact CB-CE2 4.16Å; K19-Y23 WeakPolarHBondContact O-CD2 3.45Å; K19-Y23 VanDerWaalsContact O-CG 3.32Å; K19-Y23 PolarHBondContact O-N 3.15Å; L20-Y23 PolarHBondContact O-N 3.5Å; L20-Y23 VanDerWaalsContact O-N 3.17Å; A21-Y23 PolarHBondContact O-N 2.99Å; Y23-Y27 WeakPolarHBondContact O-CB 3.49Å; Y23-Y27 PolarHBondContact O-N 3.12Å; Y23-F58 HydrophobicContact CD1-CB 3.69Å; Y23-F58 AromaticContact CD1-CD1 3.81Å; Y23-F58 HydrophobicContact CD1-CD1 3.81Å; Y23-F58 AromaticContact CD1-CG 3.98Å; Y23-F58 HydrophobicContact CD1-CG 3.98Å; Y23-F58 AromaticContact CD2-CD1 3.47Å; Y23-F58 HydrophobicContact CD2-CD1 3.47Å; Y23-F58 VanDerWaalsContact CD2-CD1 3.47Å; Y23-F58 AromaticContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CG 4.41Å; Y23-F58 HydrophobicContact CE1-CB 3.73Å; Y23-F58 AromaticContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD2 4.45Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.72Å; Y23-F58 HydrophobicContact CE1-CG 3.72Å; Y23-F58 AromaticContact CE2-CD1 3.38Å; Y23-F58 HydrophobicContact CE2-CD1 3.38Å; Y23-F58 AromaticContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CE1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CG 4.16Å; Y23-F58 HydrophobicContact CE2-CZ 4.22Å; Y23-F58 HydrophobicContact CG-CB 4.3Å; Y23-F58 AromaticContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CE1 4.48Å; Y23-F58 HydrophobicContact CG-CG 4.33Å; Y23-F58 AromaticContact CZ-CD1 3.52Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; Y23-F58 AromaticContact CZ-CG 3.81Å |
| 24 | V | 94.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 171.9 | 169.8 | 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 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.29Å; A21-V24 PolarHBondContact O-N 3.25Å; V24-Y27 WeakPolarHBondContact O-CB 3.41Å; V24-Y27 PolarHBondContact O-N 3.4Å; 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 3.43Å; V24-L28 PolarHBondContact O-N 3.31Å; 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 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å |
| 25 | Y | 93.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 13% | 0.125 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 174.6 | 173.8 | -101.9 | 0 | 0 | 0 | 111.9 | A21 L22 Y27 L28 L29 A37 L41 I50 L52 | A21-Y25 PolarHBondContact O-N 3.06Å; L22-Y25 PolarHBondContact O-N 3.5Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 2.87Å; Y25-L28 PolarHBondContact O-N 3.12Å; Y25-L29 HydrophobicContact CD1-CD1 4.04Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CD2 4.37Å; Y25-L29 HydrophobicContact CE2-CG 4.28Å; Y25-L29 WeakPolarHBondContact O-CG 3.32Å; Y25-L29 PolarHBondContact O-N 2.67Å; Y25-A37 HydrophobicContact CD2-CB 3.76Å; Y25-A37 WeakPolarHBondContact CD2-O 3.33Å; Y25-A37 HydrophobicContact CE2-CB 3.62Å; Y25-L41 HydrophobicContact CD2-CD1 3.69Å; Y25-L41 HydrophobicContact CD2-CD2 3.71Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.34Å; Y25-L41 HydrophobicContact CE2-CD1 3.31Å; Y25-L41 HydrophobicContact CE2-CD2 4.25Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.34Å; Y25-L41 HydrophobicContact CG-CD2 3.92Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CD1 3.8Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.46Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.73Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; Y25-L52 HydrophobicContact CD1-CD2 4.2Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å |
| 26 | E | 92.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 174.9 | 179.3 | -176.6 | -138.2 | 0 | 0 | 111.4 | L22 L28 L29 H30 L52 G53 F58 | L22-E26 PolarHBondContact O-N 2.91Å; E26-L28 PolarHBondContact O-N 3.22Å; E26-L29 PolarHBondContact O-N 2.92Å; E26-H30 VanDerWaalsContact CG-CE1 3.41Å; E26-H30 WeakPolarHBondContact CG-CE1 3.49Å; E26-H30 PolarHBondContact O-N 3.42Å; E26-H30 PolarHBondContact O-ND1 3.25Å; E26-H30 IonicContact OE1-CE1 3.7Å; E26-L52 HydrophobicContact CB-CD2 4.38Å; E26-L52 HydrophobicContact CG-CD2 4.48Å; E26-G53 VanDerWaalsContact OE1-CA 3.25Å; E26-G53 WeakPolarHBondContact OE1-CA 3.12Å; E26-G53 PolarHBondContact OE1-N 3.26Å; E26-F58 PolarHBondContact OE2-N 3.23Å; E26-F58 VanDerWaalsContact OE2-N 3.11Å |
| 27 | Y | 93 | Very high | 92.9 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.5 | 170.9 | -103.3 | 0 | 0 | 0 | 112.2 | Y23 V24 Y25 L29 H30 V31 L59 H60 | Y23-Y27 WeakPolarHBondContact O-CB 3.49Å; Y23-Y27 PolarHBondContact O-N 3.12Å; V24-Y27 WeakPolarHBondContact O-CB 3.41Å; V24-Y27 PolarHBondContact O-N 3.4Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 2.87Å; Y27-L29 PolarHBondContact O-N 3.09Å; Y27-H30 PolarHBondContact O-N 3.44Å; Y27-H30 VanDerWaalsContact O-N 3.12Å; Y27-V31 HydrophobicContact CD2-CG1 3.91Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.39Å; Y27-V31 HydrophobicContact CG-CG1 4.5Å; Y27-V31 WeakPolarHBondContact O-CG2 3.31Å; Y27-V31 PolarHBondContact O-N 3.47Å; Y27-L59 HydrophobicContact CG-CD2 4.28Å; Y27-H60 HydrophobicContact CD2-CB 4.3Å |
| 28 | L | 93.9 | Very high | 93.1 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.6 | -37.1 | 178.7 | -71.9 | 171.1 | 0 | 0 | 0 | 111.7 | 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 3.43Å; V24-L28 PolarHBondContact O-N 3.31Å; Y25-L28 PolarHBondContact O-N 3.12Å; E26-L28 PolarHBondContact O-N 3.22Å; L28-V31 WeakPolarHBondContact O-CG2 3.25Å; L28-G32 PolarHBondContact O-N 3.31Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.08Å; L28-A33 CarbonylContact O-C 3.55Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.42Å; L28-A33 PolarHBondContact O-N 2.92Å; L28-A37 HydrophobicContact CB-CB 3.73Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L28-F40 HydrophobicContact CD1-CB 4.16Å; L28-F40 HydrophobicContact CD1-CD1 4.47Å; L28-F40 HydrophobicContact CD1-CG 4.34Å |
| 29 | L | 91.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 174.4 | -68.4 | 178.5 | 0 | 0 | 0 | 112.1 | Y25 E26 Y27 V31 G32 Q34 A37 L52 | Y25-L29 HydrophobicContact CD1-CD1 4.04Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CD2 4.37Å; Y25-L29 HydrophobicContact CE2-CG 4.28Å; Y25-L29 WeakPolarHBondContact O-CG 3.32Å; Y25-L29 PolarHBondContact O-N 2.67Å; E26-L29 PolarHBondContact O-N 2.92Å; Y27-L29 PolarHBondContact O-N 3.09Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 2.93Å; L29-G32 PolarHBondContact O-N 3.4Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 3.39Å; L29-A37 HydrophobicContact CD2-CB 3.78Å; L29-A37 HydrophobicContact CG-CB 4.14Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.55Å; L29-L52 HydrophobicContact CD1-CG 4.25Å |
| 30 | H | 89.9 | Confident | 93.5 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 30% | 0.296 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.5 | -32.2 | -178.3 | -70.7 | 152.5 | 0 | 0 | 0 | 113.5 | E26 Y27 G32 P56 G57 | E26-H30 VanDerWaalsContact CG-CE1 3.41Å; E26-H30 WeakPolarHBondContact CG-CE1 3.49Å; E26-H30 PolarHBondContact O-N 3.42Å; E26-H30 PolarHBondContact O-ND1 3.25Å; E26-H30 IonicContact OE1-CE1 3.7Å; Y27-H30 PolarHBondContact O-N 3.44Å; Y27-H30 VanDerWaalsContact O-N 3.12Å; H30-G32 PolarHBondContact O-N 3.07Å; H30-P56 PolarHBondContact ND1-O 2.76Å; H30-G57 WeakPolarHBondContact ND1-CA 3.47Å; H30-G57 PolarHBondContact ND1-N 3.17Å |
| 31 | V | 92.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 1.4 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | Y27 L28 L29 A33 | Y27-V31 HydrophobicContact CD2-CG1 3.91Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.39Å; Y27-V31 HydrophobicContact CG-CG1 4.5Å; Y27-V31 WeakPolarHBondContact O-CG2 3.31Å; Y27-V31 PolarHBondContact O-N 3.47Å; L28-V31 WeakPolarHBondContact O-CG2 3.25Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 2.93Å; V31-A33 HydrophobicContact CG2-CB 3.96Å |
| 32 | G | 91.9 | Very high | 93.4 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 7.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | L28 L29 H30 Q34 | L28-G32 PolarHBondContact O-N 3.31Å; L29-G32 PolarHBondContact O-N 3.4Å; H30-G32 PolarHBondContact O-N 3.07Å; G32-Q34 PolarHBondContact O-N 2.97Å |
| 33 | A | 94.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 65.3 Ų | 65.3 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | trans | -82.3 | 54.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 V31 K35 S36 A37 | L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.08Å; L28-A33 CarbonylContact O-C 3.55Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.42Å; L28-A33 PolarHBondContact O-N 2.92Å; V31-A33 HydrophobicContact CG2-CB 3.96Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.11Å; A33-S36 PolarHBondContact O-N 3.4Å; A33-S36 VanDerWaalsContact O-N 3.17Å; A33-A37 PolarHBondContact O-N 3.26Å | ||
| 34 | Q | 93.1 | Very high | 93.5 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.1 | -42.9 | -173.2 | -63.9 | -66.8 | -50.7 | 0 | 0 | 113.4 | L29 G32 A37 Q38 | L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 3.39Å; G32-Q34 PolarHBondContact O-N 2.97Å; Q34-A37 PolarHBondContact O-N 3.13Å; Q34-Q38 PolarHBondContact O-N 2.96Å; Q34-Q38 VanDerWaalsContact O-N 3.13Å |
| 35 | K | 95.6 | Very high | 93.4 | Very high | 182 Ų | 182 | 74 Ų | 74 | 79% | 0.791 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 179 | -67.4 | -176.7 | -179.7 | 179.8 | 0 | 111.5 | A33 A37 Q38 T39 | A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.11Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.45Å; K35-Q38 PolarHBondContact O-N 3.4Å; K35-T39 PolarHBondContact O-N 3.08Å; K35-T39 PolarHBondContact O-OG1 3.34Å |
| 36 | S | 96.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 75 Ų | 75 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 177.1 | -55 | 0 | 0 | 0 | 0 | 111.7 | A33 Q38 T39 F40 | A33-S36 PolarHBondContact O-N 3.4Å; A33-S36 VanDerWaalsContact O-N 3.17Å; S36-Q38 PolarHBondContact O-N 3.18Å; S36-T39 PolarHBondContact O-N 3.25Å; S36-F40 WeakPolarHBondContact O-CB 3.41Å; S36-F40 PolarHBondContact O-N 3.3Å |
| 37 | A | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y25 L28 L29 A33 Q34 K35 L41 | Y25-A37 HydrophobicContact CD2-CB 3.76Å; Y25-A37 WeakPolarHBondContact CD2-O 3.33Å; Y25-A37 HydrophobicContact CE2-CB 3.62Å; L28-A37 HydrophobicContact CB-CB 3.73Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L29-A37 HydrophobicContact CD2-CB 3.78Å; L29-A37 HydrophobicContact CG-CB 4.14Å; A33-A37 PolarHBondContact O-N 3.26Å; Q34-A37 PolarHBondContact O-N 3.13Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.45Å; A37-L41 PolarHBondContact O-N 3.29Å |
| 38 | Q | 91.9 | Very high | 92.8 | Very high | 143 Ų | 143 | 84 Ų | 84 | 67% | 0.668 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.5 | -45.4 | 176.9 | -72.4 | -161.7 | -8.1 | 0 | 0 | 112.9 | Q34 K35 S36 F40 L41 S42 | Q34-Q38 PolarHBondContact O-N 2.96Å; Q34-Q38 VanDerWaalsContact O-N 3.13Å; K35-Q38 PolarHBondContact O-N 3.4Å; S36-Q38 PolarHBondContact O-N 3.18Å; Q38-F40 VanDerWaalsContact C-N 3.29Å; Q38-F40 PolarHBondContact O-N 3.44Å; Q38-L41 PolarHBondContact O-N 3.34Å; Q38-S42 PolarHBondContact O-N 3.34Å; Q38-S42 VanDerWaalsContact O-N 3.12Å |
| 39 | T | 95.9 | Very high | 92.3 | Very high | 68 Ų | 68 | 90.1 Ų | 90.1 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 176.2 | -60 | 0 | 0 | 0 | 0 | 110.8 | K35 S36 L41 S42 E43 | K35-T39 PolarHBondContact O-N 3.08Å; K35-T39 PolarHBondContact O-OG1 3.34Å; S36-T39 PolarHBondContact O-N 3.25Å; T39-L41 PolarHBondContact O-N 2.87Å; T39-S42 WeakPolarHBondContact CA-OG 3.46Å; T39-S42 PolarHBondContact O-N 3.31Å; T39-S42 VanDerWaalsContact O-N 3.09Å; T39-S42 PolarHBondContact O-OG 3.34Å; T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.41Å; T39-E43 WeakPolarHBondContact O-CG 2.92Å; T39-E43 PolarHBondContact O-N 3.4Å |
| 40 | F | 95.4 | Very high | 91.7 | Very high | 48 Ų | 48 | 91.6 Ų | 91.6 | 21% | 0.211 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 178.2 | 175.8 | -109 | 0 | 0 | 0 | 112.6 | A21 V24 L28 S36 Q38 S42 E43 I44 | A21-F40 HydrophobicContact CB-CE1 4.28Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.43Å; 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 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; L28-F40 HydrophobicContact CD1-CB 4.16Å; L28-F40 HydrophobicContact CD1-CD1 4.47Å; L28-F40 HydrophobicContact CD1-CG 4.34Å; S36-F40 WeakPolarHBondContact O-CB 3.41Å; S36-F40 PolarHBondContact O-N 3.3Å; Q38-F40 VanDerWaalsContact C-N 3.29Å; Q38-F40 PolarHBondContact O-N 3.44Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.42Å; F40-E43 PolarHBondContact O-N 2.87Å; F40-I44 HydrophobicContact CD1-CD1 4.3Å; F40-I44 HydrophobicContact CD2-CG2 4.35Å; F40-I44 HydrophobicContact CE1-CD1 3.79Å; F40-I44 HydrophobicContact CE2-CG2 4Å; F40-I44 HydrophobicContact CZ-CD1 3.91Å; F40-I44 HydrophobicContact CZ-CG2 4.35Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.07Å |
| 41 | L | 92.8 | Very high | 91.2 | Very high | 30 Ų | 30 | 94.1 Ų | 94.1 | 16% | 0.157 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.2 | -68 | -174.2 | 0 | 0 | 0 | 112.7 | Y25 A37 Q38 T39 R45 W46 I50 | Y25-L41 HydrophobicContact CD2-CD1 3.69Å; Y25-L41 HydrophobicContact CD2-CD2 3.71Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 VanDerWaalsContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.34Å; Y25-L41 HydrophobicContact CE2-CD1 3.31Å; Y25-L41 HydrophobicContact CE2-CD2 4.25Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.34Å; Y25-L41 HydrophobicContact CG-CD2 3.92Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 3.29Å; Q38-L41 PolarHBondContact O-N 3.34Å; T39-L41 PolarHBondContact O-N 2.87Å; L41-R45 PolarHBondContact O-N 2.86Å; L41-W46 HydrophobicContact CB-CB 4.18Å; L41-W46 HydrophobicContact CD2-CB 3.78Å; L41-W46 HydrophobicContact CD2-CD2 4.46Å; L41-W46 HydrophobicContact CD2-CG 3.79Å; L41-W46 PolarHBondContact O-N 3.35Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.88Å; L41-I50 HydrophobicContact CG-CD1 4.27Å |
| 42 | S | 92.4 | Very high | 90.6 | Very high | 80 Ų | 80 | 95.1 Ų | 95.1 | 56% | 0.559 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -39 | 179.3 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | Q38 T39 F40 R45 | Q38-S42 PolarHBondContact O-N 3.34Å; Q38-S42 VanDerWaalsContact O-N 3.12Å; T39-S42 WeakPolarHBondContact CA-OG 3.46Å; T39-S42 PolarHBondContact O-N 3.31Å; T39-S42 VanDerWaalsContact O-N 3.09Å; T39-S42 PolarHBondContact O-OG 3.34Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.42Å; S42-R45 PolarHBondContact O-N 2.96Å |
| 43 | E | 95.1 | Very high | 90 | Very high | 144 Ų | 144 | 94.5 Ų | 94.5 | 67% | 0.673 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68 | -41.6 | -179.1 | -76.2 | -179.3 | -175.1 | 0 | 0 | 112 | T39 F40 R45 | T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.41Å; T39-E43 WeakPolarHBondContact O-CG 2.92Å; T39-E43 PolarHBondContact O-N 3.4Å; F40-E43 PolarHBondContact O-N 2.87Å; E43-R45 PolarHBondContact O-N 3.48Å |
| 44 | I | 93.3 | Very high | 89.4 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.4 | 178.4 | 73 | -177.6 | 0 | 0 | 0 | 112.9 | A21 F40 W46 | A21-I44 HydrophobicContact CB-CD1 3.95Å; F40-I44 HydrophobicContact CD1-CD1 4.3Å; F40-I44 HydrophobicContact CD2-CG2 4.35Å; F40-I44 HydrophobicContact CE1-CD1 3.79Å; F40-I44 HydrophobicContact CE2-CG2 4Å; F40-I44 HydrophobicContact CZ-CD1 3.91Å; F40-I44 HydrophobicContact CZ-CG2 4.35Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.07Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.07Å; I44-W46 HydrophobicContact CD1-CD2 4.33Å; 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 3.43Å |
| 45 | R | 92.2 | Very high | 88.8 | Confident | 207 Ų | 207 | 101.1 Ų | 101.1 | 78% | 0.781 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 52.6 | -174.9 | -56.7 | -178.1 | 180 | -166 | -0.9 | 111.4 | L41 S42 E43 E47 | L41-R45 PolarHBondContact O-N 2.86Å; S42-R45 PolarHBondContact O-N 2.96Å; E43-R45 PolarHBondContact O-N 3.48Å; R45-E47 PolarHBondContact O-N 3.28Å |
| 46 | W | 92.8 | Very high | 87.9 | Confident | 52 Ų | 52 | 95.7 Ų | 95.7 | 20% | 0.197 | 50% | 0.499 | C | S | . | . | trans | -72.7 | 115.6 | -177.9 | -169.2 | -93.6 | 0 | 0 | 0 | 111 | E18 A21 L22 L41 I44 K48 | E18-W46 HydrophobicContact CB-CH2 4.24Å; E18-W46 HydrophobicContact CB-CZ3 4.41Å; E18-W46 WeakPolarHBondContact O-CH2 3.27Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å; L22-W46 HydrophobicContact CB-CH2 4.49Å; L22-W46 HydrophobicContact CB-CZ2 4.47Å; L22-W46 HydrophobicContact CD1-CZ2 4.49Å; L41-W46 HydrophobicContact CB-CB 4.18Å; L41-W46 HydrophobicContact CD2-CB 3.78Å; L41-W46 HydrophobicContact CD2-CD2 4.46Å; L41-W46 HydrophobicContact CD2-CG 3.79Å; L41-W46 PolarHBondContact O-N 3.35Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.07Å; I44-W46 HydrophobicContact CD1-CD2 4.33Å; 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 3.43Å; W46-K48 HydrophobicContact CZ2-CB 3.94Å; W46-K48 HydrophobicContact CZ2-CD 4.41Å; W46-K48 HydrophobicContact CZ2-CG 4.49Å; W46-K48 PolarHBondContact NE1-O 3.03Å | ||
| 47 | E | 87.4 | Confident | 87.5 | Confident | 183 Ų | 183 | 92.9 Ų | 92.9 | 86% | 0.855 | 48% | 0.48 | S | S | * | . | trans | -110.4 | 0.1 | -177.4 | -66.9 | 178.2 | -177.3 | 0 | 0 | 113.3 | R45 | R45-E47 PolarHBondContact O-N 3.28Š| ||
| 48 | K | 86.1 | Confident | 87.4 | Confident | 106 Ų | 106 | 97 Ų | 97 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -92.4 | 147.1 | -175.3 | -54.1 | -172.8 | -170.6 | -169.5 | 0 | 111.4 | E18 W46 | E18-K48 IonicContact OE1-NZ 2.69Å; E18-K48 PolarHBondContact OE1-NZ 3.13Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.81Å; W46-K48 HydrophobicContact CZ2-CB 3.94Å; W46-K48 HydrophobicContact CZ2-CD 4.41Å; W46-K48 HydrophobicContact CZ2-CG 4.49Å; W46-K48 PolarHBondContact NE1-O 3.03Å |
| 49 | N | 82.4 | Confident | 87.5 | Confident | 162 Ų | 162 | 92.5 Ų | 92.5 | 87% | 0.866 | 48% | 0.479 | S | S | * | . | trans | -59.6 | 140.8 | 173.4 | -72.4 | -65.4 | 0 | 0 | 0 | 111.4 | ||||
| 50 | I | 80.2 | Confident | 87.2 | Confident | 53 Ų | 53 | 92.8 Ų | 92.8 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | trans | -110.1 | 120.5 | -178.2 | -54.6 | 175.6 | 0 | 0 | 0 | 108.9 | Y25 L41 L52 | Y25-I50 HydrophobicContact CD1-CD1 3.8Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.46Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.73Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.88Å; L41-I50 HydrophobicContact CG-CD1 4.27Å; I50-L52 HydrophobicContact CG2-CD2 3.98Å; I50-L52 HydrophobicContact CG2-CG 4.35Å | ||
| 51 | T | 79.6 | Confident | 87 | Confident | 118 Ų | 118 | 92 Ų | 92 | 72% | 0.724 | 48% | 0.476 | S | S | * | . | trans | -102.1 | 121 | 166.6 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 52 | L | 80.4 | Confident | 87.1 | Confident | 98 Ų | 98 | 98.1 Ų | 98.1 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | trans | -88.7 | 135.9 | 179.1 | -64 | 171.7 | 0 | 0 | 0 | 110.1 | Y25 E26 L29 I50 | Y25-L52 HydrophobicContact CD1-CD2 4.2Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å; E26-L52 HydrophobicContact CB-CD2 4.38Å; E26-L52 HydrophobicContact CG-CD2 4.48Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.55Å; L29-L52 HydrophobicContact CD1-CG 4.25Å; I50-L52 HydrophobicContact CG2-CD2 3.98Å; I50-L52 HydrophobicContact CG2-CG 4.35Å | ||
| 53 | G | 78.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 101 Ų | 101 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | trans | -84.7 | -179.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E26 | E26-G53 VanDerWaalsContact OE1-CA 3.25Å; E26-G53 WeakPolarHBondContact OE1-CA 3.12Å; E26-G53 PolarHBondContact OE1-N 3.26Å | ||
| 54 | E | 81.8 | Confident | 87.1 | Confident | 177 Ų | 177 | 97 Ų | 97 | 83% | 0.827 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -74.7 | 144.5 | 173.5 | -69.2 | -143.4 | 162.2 | 0 | 0 | 111.9 | G57 | E54-G57 PolarHBondContact O-N 3.26Å; E54-G57 VanDerWaalsContact O-N 3.07Å |
| 55 | P | 80.4 | Confident | 87.1 | Confident | 94 Ų | 94 | 96.2 Ų | 96.2 | 61% | 0.61 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 144 | 173.4 | 25.6 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 56 | P | 76.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.4 | 4.7 | 14 | 33.9 | -36.5 | 0 | 0 | 0 | 115.7 | H30 H60 | H30-P56 PolarHBondContact ND1-O 2.76Å; P56-H60 HydrophobicContact CB-CB 4.37Å; P56-H60 WeakPolarHBondContact O-CB 3.32Å |
| 57 | G | 88.3 | Confident | 87.2 | Confident | 7 Ų | 7 | 94.8 Ų | 94.8 | 7% | 0.072 | 48% | 0.479 | C | S | . | . | trans | 86.9 | 164.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H30 E54 S61 | H30-G57 WeakPolarHBondContact ND1-CA 3.47Å; H30-G57 PolarHBondContact ND1-N 3.17Å; E54-G57 PolarHBondContact O-N 3.26Å; E54-G57 VanDerWaalsContact O-N 3.07Å; G57-S61 PolarHBondContact O-N 3.39Å; G57-S61 PolarHBondContact O-OG 2.83Å | ||
| 58 | F | 91.1 | Very high | 87.5 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.1 | -47.4 | -172.8 | 178.1 | -90.6 | 0 | 0 | 0 | 112.4 | Y23 E26 H60 S61 W62 | Y23-F58 HydrophobicContact CD1-CB 3.69Å; Y23-F58 AromaticContact CD1-CD1 3.81Å; Y23-F58 HydrophobicContact CD1-CD1 3.81Å; Y23-F58 AromaticContact CD1-CG 3.98Å; Y23-F58 HydrophobicContact CD1-CG 3.98Å; Y23-F58 AromaticContact CD2-CD1 3.47Å; Y23-F58 HydrophobicContact CD2-CD1 3.47Å; Y23-F58 VanDerWaalsContact CD2-CD1 3.47Å; Y23-F58 AromaticContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CE1 3.81Å; Y23-F58 HydrophobicContact CD2-CG 4.41Å; Y23-F58 HydrophobicContact CE1-CB 3.73Å; Y23-F58 AromaticContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD1 3.74Å; Y23-F58 HydrophobicContact CE1-CD2 4.45Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.72Å; Y23-F58 HydrophobicContact CE1-CG 3.72Å; Y23-F58 AromaticContact CE2-CD1 3.38Å; Y23-F58 HydrophobicContact CE2-CD1 3.38Å; Y23-F58 AromaticContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CE1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.42Å; Y23-F58 HydrophobicContact CE2-CG 4.16Å; Y23-F58 HydrophobicContact CE2-CZ 4.22Å; Y23-F58 HydrophobicContact CG-CB 4.3Å; Y23-F58 AromaticContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CD1 3.69Å; Y23-F58 HydrophobicContact CG-CE1 4.48Å; Y23-F58 HydrophobicContact CG-CG 4.33Å; Y23-F58 AromaticContact CZ-CD1 3.52Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; Y23-F58 AromaticContact CZ-CG 3.81Å; E26-F58 PolarHBondContact OE2-N 3.23Å; E26-F58 VanDerWaalsContact OE2-N 3.11Å; F58-H60 PolarHBondContact O-N 3.3Å; F58-S61 PolarHBondContact O-N 3.5Å; F58-W62 AromaticContact CD2-CD1 3.72Å; F58-W62 AromaticContact CE1-CD1 3.68Å; F58-W62 HydrophobicContact CE1-CG 4.29Å; F58-W62 AromaticContact CE2-CD1 3.27Å; F58-W62 HydrophobicContact CE2-CG 4.44Å; F58-W62 AromaticContact CE2-NE1 3.25Å; F58-W62 VanDerWaalsContact CE2-NE1 3.25Å; F58-W62 AromaticContact CZ-CD1 3.24Å; F58-W62 HydrophobicContact CZ-CG 4.09Å; F58-W62 AromaticContact CZ-NE1 3.38Å; F58-W62 PolarHBondContact O-N 3.22Å |
| 59 | L | 93 | Very high | 87.8 | Confident | 48 Ų | 48 | 85.5 Ų | 85.5 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | -175.6 | -173 | 62.2 | 0 | 0 | 0 | 111.6 | L20 V24 Y27 W63 | L20-L59 HydrophobicContact CD1-CD1 4.34Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å; Y27-L59 HydrophobicContact CG-CD2 4.28Å; L59-W63 WeakPolarHBondContact O-CB 3.11Å; L59-W63 PolarHBondContact O-N 3.47Å |
| 60 | H | 91.3 | Very high | 88.1 | Confident | 75 Ų | 75 | 81.9 Ų | 81.9 | 35% | 0.347 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | -178.2 | -172 | 76.6 | 0 | 0 | 0 | 111.2 | Y27 P56 F58 W62 W63 C64 | Y27-H60 HydrophobicContact CD2-CB 4.3Å; P56-H60 HydrophobicContact CB-CB 4.37Å; P56-H60 WeakPolarHBondContact O-CB 3.32Å; F58-H60 PolarHBondContact O-N 3.3Å; H60-W62 PolarHBondContact O-N 2.72Å; H60-W63 PolarHBondContact O-N 2.97Å; H60-C64 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-SG 2.91Å |
| 61 | S | 91.5 | Very high | 88.6 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 22% | 0.217 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 180 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | G57 F58 C64 V65 | G57-S61 PolarHBondContact O-N 3.39Å; G57-S61 PolarHBondContact O-OG 2.83Å; F58-S61 PolarHBondContact O-N 3.5Å; S61-C64 PolarHBondContact O-N 2.93Å; S61-V65 PolarHBondContact O-N 3.47Å |
| 62 | W | 94.6 | Very high | 89 | Confident | 159 Ų | 159 | 73.9 Ų | 73.9 | 60% | 0.602 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69.1 | -38 | 178.4 | -94 | 100.1 | 0 | 0 | 0 | 113.1 | F58 H60 C64 V65 F66 | F58-W62 AromaticContact CD2-CD1 3.72Å; F58-W62 AromaticContact CE1-CD1 3.68Å; F58-W62 HydrophobicContact CE1-CG 4.29Å; F58-W62 AromaticContact CE2-CD1 3.27Å; F58-W62 HydrophobicContact CE2-CG 4.44Å; F58-W62 AromaticContact CE2-NE1 3.25Å; F58-W62 VanDerWaalsContact CE2-NE1 3.25Å; F58-W62 AromaticContact CZ-CD1 3.24Å; F58-W62 HydrophobicContact CZ-CG 4.09Å; F58-W62 AromaticContact CZ-NE1 3.38Å; F58-W62 PolarHBondContact O-N 3.22Å; H60-W62 PolarHBondContact O-N 2.72Å; W62-C64 VanDerWaalsContact C-N 3.34Å; W62-C64 PolarHBondContact O-N 3.34Å; W62-V65 PolarHBondContact O-N 3.32Å; W62-F66 WeakPolarHBondContact O-CB 3.46Å; W62-F66 PolarHBondContact O-N 2.93Å |
| 63 | W | 95 | Very high | 89.3 | Confident | 141 Ų | 141 | 69.9 Ų | 69.9 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.4 | -178.1 | -104.9 | 0 | 0 | 0 | 111.8 | L59 H60 V65 F66 W67 | L59-W63 WeakPolarHBondContact O-CB 3.11Å; L59-W63 PolarHBondContact O-N 3.47Å; H60-W63 PolarHBondContact O-N 2.97Å; W63-V65 PolarHBondContact O-N 3.49Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.5Å; W63-F66 HydrophobicContact CH2-CD1 4.1Å; W63-F66 HydrophobicContact CH2-CE1 4.03Å; W63-F66 AromaticContact CZ3-CD1 3.6Å; W63-F66 HydrophobicContact CZ3-CD1 3.6Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.5Å; W63-W67 HydrophobicContact CZ2-CE3 4.2Å; W63-W67 VanDerWaalsContact O-CB 3.27Å; W63-W67 WeakPolarHBondContact O-CB 3.36Å; W63-W67 PolarHBondContact O-N 3.41Å |
| 64 | C | 92.9 | Very high | 89.1 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 174.8 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | H60 S61 W62 W67 D68 | H60-C64 PolarHBondContact O-N 3.47Å; H60-C64 PolarHBondContact O-SG 2.91Å; S61-C64 PolarHBondContact O-N 2.93Å; W62-C64 VanDerWaalsContact C-N 3.34Å; W62-C64 PolarHBondContact O-N 3.34Å; C64-W67 PolarHBondContact O-N 3.47Å; C64-D68 VanDerWaalsContact O-CB 3.27Å; C64-D68 WeakPolarHBondContact O-CB 3.02Å; C64-D68 PolarHBondContact O-N 3.37Å |
| 65 | V | 92.9 | Very high | 89 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | S61 W62 W63 W67 D68 L69 F124 | S61-V65 PolarHBondContact O-N 3.47Å; W62-V65 PolarHBondContact O-N 3.32Å; W63-V65 PolarHBondContact O-N 3.49Å; V65-W67 PolarHBondContact O-N 3.17Å; V65-D68 PolarHBondContact O-N 3.4Å; V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 PolarHBondContact O-N 3.35Å; V65-F124 HydrophobicContact CG2-CE1 3.78Å; V65-F124 HydrophobicContact CG2-CZ 4.25Å |
| 66 | F | 94.4 | Very high | 88.9 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 177.9 | 171.9 | -96.7 | 0 | 0 | 0 | 111.6 | W62 W63 D68 L69 Y70 | W62-F66 WeakPolarHBondContact O-CB 3.46Å; W62-F66 PolarHBondContact O-N 2.93Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.5Å; W63-F66 HydrophobicContact CH2-CD1 4.1Å; W63-F66 HydrophobicContact CH2-CE1 4.03Å; W63-F66 AromaticContact CZ3-CD1 3.6Å; W63-F66 HydrophobicContact CZ3-CD1 3.6Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.5Å; F66-D68 VanDerWaalsContact C-N 3.35Å; F66-D68 PolarHBondContact O-N 2.85Å; F66-L69 PolarHBondContact O-N 2.98Å; F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.31Å; F66-Y70 PolarHBondContact O-N 2.98Å |
| 67 | W | 92.6 | Very high | 88.7 | Confident | 121 Ų | 121 | 71.9 Ų | 71.9 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 180 | -175.6 | -101.9 | 0 | 0 | 0 | 111.9 | W63 C64 V65 Y70 C71 | W63-W67 HydrophobicContact CZ2-CE3 4.2Å; W63-W67 VanDerWaalsContact O-CB 3.27Å; W63-W67 WeakPolarHBondContact O-CB 3.36Å; W63-W67 PolarHBondContact O-N 3.41Å; C64-W67 PolarHBondContact O-N 3.47Å; V65-W67 PolarHBondContact O-N 3.17Å; W67-Y70 AromaticContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CE1 4.38Å; W67-Y70 HydrophobicContact CH2-CD1 4.27Å; W67-Y70 HydrophobicContact CH2-CE1 4.12Å; W67-Y70 AromaticContact CZ3-CD1 3.76Å; W67-Y70 HydrophobicContact CZ3-CD1 3.76Å; W67-Y70 AromaticContact CZ3-CE1 3.75Å; W67-Y70 HydrophobicContact CZ3-CE1 3.75Å; W67-Y70 WeakPolarHBondContact O-CB 3.13Å; W67-Y70 PolarHBondContact O-N 3.46Å; W67-C71 WeakPolarHBondContact O-CB 3.41Å; W67-C71 PolarHBondContact O-N 2.69Å |
| 68 | D | 92.6 | Very high | 88 | Confident | 42 Ų | 42 | 78.6 Ų | 78.6 | 23% | 0.225 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177 | -169.8 | 33.6 | 0 | 0 | 0 | 111.6 | C64 V65 F66 Y70 C71 A72 H82 S83 A86 | C64-D68 VanDerWaalsContact O-CB 3.27Å; C64-D68 WeakPolarHBondContact O-CB 3.02Å; C64-D68 PolarHBondContact O-N 3.37Å; V65-D68 PolarHBondContact O-N 3.4Å; F66-D68 VanDerWaalsContact C-N 3.35Å; F66-D68 PolarHBondContact O-N 2.85Å; D68-Y70 VanDerWaalsContact C-N 3.34Å; D68-Y70 PolarHBondContact O-N 2.66Å; D68-C71 PolarHBondContact O-N 3.13Å; D68-A72 VanDerWaalsContact O-CB 3.31Å; D68-A72 WeakPolarHBondContact O-CB 3.26Å; D68-A72 PolarHBondContact O-N 3.36Å; D68-H82 WeakPolarHBondContact OD1-CA 3.36Å; D68-S83 WeakPolarHBondContact OD1-CB 3.5Å; D68-S83 PolarHBondContact OD1-N 2.97Å; D68-S83 WeakPolarHBondContact OD2-CB 3.23Å; D68-A86 HydrophobicContact CB-CB 4.4Å; D68-A86 WeakPolarHBondContact OD2-CB 3.29Å |
| 69 | L | 92.3 | Very high | 87.3 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 174.6 | -169.8 | 67.4 | 0 | 0 | 0 | 112.4 | V65 F66 A72 A73 F89 H90 | V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 PolarHBondContact O-N 3.35Å; F66-L69 PolarHBondContact O-N 2.98Å; L69-A72 PolarHBondContact O-N 3.47Å; L69-A73 PolarHBondContact O-N 2.94Å; L69-F89 HydrophobicContact CD1-CB 4.25Å; L69-F89 HydrophobicContact CD1-CD1 3.67Å; L69-F89 HydrophobicContact CD1-CE1 4.43Å; L69-F89 HydrophobicContact CD1-CG 4.27Å; L69-F89 HydrophobicContact CD2-CD1 4.5Å; L69-H90 VanDerWaalsContact CD1-CD2 3.45Å; L69-H90 WeakPolarHBondContact CD1-CD2 3.09Å; L69-H90 WeakPolarHBondContact CD1-NE2 3.4Å; L69-H90 WeakPolarHBondContact CG-NE2 3.4Å; L69-H90 PolarHBondContact O-NE2 3.05Å |
| 70 | Y | 89.6 | Confident | 86.6 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 176.7 | 176.7 | -107.7 | 0 | 0 | 0 | 112.1 | F66 W67 D68 A73 R76 | F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.31Å; F66-Y70 PolarHBondContact O-N 2.98Å; W67-Y70 AromaticContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CE1 4.38Å; W67-Y70 HydrophobicContact CH2-CD1 4.27Å; W67-Y70 HydrophobicContact CH2-CE1 4.12Å; W67-Y70 AromaticContact CZ3-CD1 3.76Å; W67-Y70 HydrophobicContact CZ3-CD1 3.76Å; W67-Y70 AromaticContact CZ3-CE1 3.75Å; W67-Y70 HydrophobicContact CZ3-CE1 3.75Å; W67-Y70 WeakPolarHBondContact O-CB 3.13Å; W67-Y70 PolarHBondContact O-N 3.46Å; D68-Y70 VanDerWaalsContact C-N 3.34Å; D68-Y70 PolarHBondContact O-N 2.66Å; Y70-A73 VanDerWaalsContact O-CB 3.23Å; Y70-A73 WeakPolarHBondContact O-CB 3.43Å; Y70-A73 PolarHBondContact O-N 2.85Å; Y70-R76 VanDerWaalsContact CZ-CZ 3.5Å; Y70-R76 PolarHBondContact OH-NH1 2.9Å |
| 71 | C | 90.6 | Very high | 86 | Confident | 4 Ų | 4 | 85.6 Ų | 85.6 | 3% | 0.027 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 174.9 | -83.2 | 0 | 0 | 0 | 0 | 112.8 | W67 D68 A73 R77 C80 H82 | W67-C71 WeakPolarHBondContact O-CB 3.41Å; W67-C71 PolarHBondContact O-N 2.69Å; D68-C71 PolarHBondContact O-N 3.13Å; C71-A73 PolarHBondContact O-N 2.98Å; C71-R77 VanDerWaalsContact O-CA 3.29Å; C71-R77 WeakPolarHBondContact O-CA 3.48Å; C71-R77 PolarHBondContact O-N 3Å; C71-C80 HydrophobicContact CB-CB 3.57Å; C71-C80 WeakPolarHBondContact CB-SG 3.45Å; C71-C80 WeakPolarHBondContact SG-CB 3.22Å; C71-C80 CovalentContact SG-SG 2.05Å; C71-C80 PolarHBondContact SG-SG 3.48Å; C71-H82 HydrophobicContact CB-CB 4.02Å |
| 72 | A | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D68 L69 H82 A86 | D68-A72 VanDerWaalsContact O-CB 3.31Å; D68-A72 WeakPolarHBondContact O-CB 3.26Å; D68-A72 PolarHBondContact O-N 3.36Å; L69-A72 PolarHBondContact O-N 3.47Å; A72-H82 HydrophobicContact CB-CB 3.98Å; A72-A86 HydrophobicContact CB-CB 3.6Å |
| 73 | A | 86.6 | Confident | 85.5 | Confident | 14 Ų | 14 | 81.1 Ų | 81.1 | 12% | 0.116 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -57 | 138.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L69 Y70 C71 E75 R76 R77 | L69-A73 PolarHBondContact O-N 2.94Å; Y70-A73 VanDerWaalsContact O-CB 3.23Å; Y70-A73 WeakPolarHBondContact O-CB 3.43Å; Y70-A73 PolarHBondContact O-N 2.85Å; C71-A73 PolarHBondContact O-N 2.98Å; A73-E75 PolarHBondContact O-N 3.31Å; A73-R76 PolarHBondContact O-N 2.05Å; A73-R77 WeakPolarHBondContact O-CB 3.43Å; A73-R77 PolarHBondContact O-N 3.32Å |
| 74 | P | 76.2 | Confident | 85 | Confident | 73 Ų | 73 | 79 Ų | 79 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.1 | -173.7 | -27 | 33.4 | 0 | 0 | 0 | 114.5 | R76 | P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.42Å |
| 75 | E | 80 | Confident | 84.8 | Confident | 169 Ų | 169 | 82.4 Ų | 82.4 | 79% | 0.79 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.1 | -179.9 | -63.5 | 163.7 | -173.8 | 0 | 0 | 113.8 | A73 | A73-E75 PolarHBondContact O-N 3.31Š|
| 76 | R | 77.7 | Confident | 84.5 | Confident | 98 Ų | 98 | 80.2 Ų | 80.2 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -17.3 | -164.8 | -62.2 | 169.5 | -169.3 | -121.9 | 12 | 113.6 | Y70 A73 P74 D78 T79 C80 | Y70-R76 VanDerWaalsContact CZ-CZ 3.5Å; Y70-R76 PolarHBondContact OH-NH1 2.9Å; A73-R76 PolarHBondContact O-N 2.05Å; P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.42Å; R76-D78 PolarHBondContact O-N 3.37Å; R76-T79 PolarHBondContact O-N 2.86Å; R76-T79 PolarHBondContact O-OG1 3.49Å; R76-C80 PolarHBondContact O-N 3.44Å |
| 77 | R | 73 | Confident | 84.1 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 30% | 0.302 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.9 | -172.6 | 69.4 | 178.1 | -176.2 | -171.8 | -0.5 | 115.3 | C71 A73 T79 D91 | C71-R77 VanDerWaalsContact O-CA 3.29Å; C71-R77 WeakPolarHBondContact O-CA 3.48Å; C71-R77 PolarHBondContact O-N 3Å; A73-R77 WeakPolarHBondContact O-CB 3.43Å; A73-R77 PolarHBondContact O-N 3.32Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 3.24Å; R77-D91 IonicContact NH1-OD1 3.11Å; R77-D91 PolarHBondContact NH1-OD1 3.44Å; R77-D91 VanDerWaalsContact NH1-OD1 3.11Å |
| 78 | D | 72.9 | Confident | 83.8 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 80% | 0.797 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.9 | 176.8 | -58.6 | -32.8 | 0 | 0 | 0 | 113.1 | R76 | R76-D78 PolarHBondContact O-N 3.37Š|
| 79 | T | 77.1 | Confident | 83.6 | Confident | 131 Ų | 131 | 78.4 Ų | 78.4 | 80% | 0.804 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -18.8 | -174.5 | 62 | 0 | 0 | 0 | 0 | 114.6 | R76 R77 | R76-T79 PolarHBondContact O-N 2.86Å; R76-T79 PolarHBondContact O-OG1 3.49Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 3.24Å |
| 80 | C | 77.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 25% | 0.25 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -118.5 | 135.3 | -178.2 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | C71 R76 H82 | C71-C80 HydrophobicContact CB-CB 3.57Å; C71-C80 WeakPolarHBondContact CB-SG 3.45Å; C71-C80 WeakPolarHBondContact SG-CB 3.22Å; C71-C80 CovalentContact SG-SG 2.05Å; C71-C80 PolarHBondContact SG-SG 3.48Å; R76-C80 PolarHBondContact O-N 3.44Å; C80-H82 PolarHBondContact O-CD2 2.83Å; C80-H82 VanDerWaalsContact O-CD2 3.31Å; C80-H82 PolarHBondContact O-N 3.25Å |
| 81 | E | 79.5 | Confident | 83 | Confident | 189 Ų | 189 | 77 Ų | 77 | 88% | 0.883 | 40% | 0.4 | S | S | * | . | trans | -64.3 | 131.9 | 168.5 | -71.2 | -168.8 | 157.4 | 0 | 0 | 110.2 | ||||
| 82 | H | 87.3 | Confident | 82.5 | Confident | 59 Ų | 59 | 85.1 Ų | 85.1 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | trans | -144 | 157.8 | -178.8 | 61.5 | 65.4 | 0 | 0 | 0 | 111.2 | D68 C71 A72 C80 | D68-H82 WeakPolarHBondContact OD1-CA 3.36Å; C71-H82 HydrophobicContact CB-CB 4.02Å; A72-H82 HydrophobicContact CB-CB 3.98Å; C80-H82 PolarHBondContact O-CD2 2.83Å; C80-H82 VanDerWaalsContact O-CD2 3.31Å; C80-H82 PolarHBondContact O-N 3.25Å | ||
| 83 | S | 86.7 | Confident | 81.8 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | trans | -69 | 151.8 | 175.2 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | D68 E85 K87 | D68-S83 WeakPolarHBondContact OD1-CB 3.5Å; D68-S83 PolarHBondContact OD1-N 2.97Å; D68-S83 WeakPolarHBondContact OD2-CB 3.23Å; S83-E85 PolarHBondContact O-N 3.36Å; S83-E85 PolarHBondContact OG-N 3.03Å; S83-K87 PolarHBondContact O-N 2.97Å | ||
| 84 | S | 84.3 | Confident | 80.8 | Confident | 96 Ų | 96 | 90.8 Ų | 90.8 | 67% | 0.671 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.2 | -28.9 | 170.9 | 52 | 0 | 0 | 0 | 0 | 112.5 | A88 | S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 3.4Å |
| 85 | E | 88.8 | Confident | 80.1 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 61% | 0.612 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.7 | -44.8 | 178.3 | -64.4 | -179.5 | 157.2 | 0 | 0 | 111.6 | S83 K87 A88 F89 | S83-E85 PolarHBondContact O-N 3.36Å; S83-E85 PolarHBondContact OG-N 3.03Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.27Å; E85-A88 PolarHBondContact O-N 2.86Å; E85-F89 PolarHBondContact O-N 3.24Å |
| 86 | A | 87.2 | Confident | 79 | Confident | 9 Ų | 9 | 87 Ų | 87 | 7% | 0.074 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D68 A72 F89 H90 | D68-A86 HydrophobicContact CB-CB 4.4Å; D68-A86 WeakPolarHBondContact OD2-CB 3.29Å; A72-A86 HydrophobicContact CB-CB 3.6Å; A86-F89 PolarHBondContact O-N 3.27Å; A86-H90 PolarHBondContact O-N 3.36Å |
| 87 | K | 86.1 | Confident | 77.4 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 172.5 | -177.4 | 179.5 | -177.3 | -63.4 | 0 | 111.4 | S83 E85 F89 H90 D91 | S83-K87 PolarHBondContact O-N 2.97Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.27Å; K87-F89 VanDerWaalsContact C-N 3.28Å; K87-F89 PolarHBondContact O-N 2.92Å; K87-H90 PolarHBondContact O-N 3.01Å; K87-D91 WeakPolarHBondContact CG-OD2 3.42Å; K87-D91 IonicContact NZ-OD2 2.64Å; K87-D91 PolarHBondContact NZ-OD2 2.68Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.42Å |
| 88 | A | 86.8 | Confident | 76 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 29% | 0.289 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S84 E85 D91 Y92 | S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 3.4Å; E85-A88 PolarHBondContact O-N 2.86Å; A88-D91 PolarHBondContact O-N 3.04Å; A88-Y92 HydrophobicContact CB-CD2 4.25Å; A88-Y92 HydrophobicContact CB-CE2 4.23Å; A88-Y92 WeakPolarHBondContact O-CB 3.45Å; A88-Y92 WeakPolarHBondContact O-CD2 3.25Å; A88-Y92 PolarHBondContact O-N 3.11Å |
| 89 | F | 88 | Confident | 74.3 | Confident | 124 Ų | 124 | 84.2 Ų | 84.2 | 54% | 0.544 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 177.1 | -170.5 | -91.2 | 0 | 0 | 0 | 112.2 | L69 E85 A86 K87 S93 | L69-F89 HydrophobicContact CD1-CB 4.25Å; L69-F89 HydrophobicContact CD1-CD1 3.67Å; L69-F89 HydrophobicContact CD1-CE1 4.43Å; L69-F89 HydrophobicContact CD1-CG 4.27Å; L69-F89 HydrophobicContact CD2-CD1 4.5Å; E85-F89 PolarHBondContact O-N 3.24Å; A86-F89 PolarHBondContact O-N 3.27Å; K87-F89 VanDerWaalsContact C-N 3.28Å; K87-F89 PolarHBondContact O-N 2.92Å; F89-S93 WeakPolarHBondContact O-CB 3.47Å; F89-S93 PolarHBondContact O-N 3.49Å; F89-S93 PolarHBondContact O-OG 3.5Å |
| 90 | H | 86.1 | Confident | 72.8 | Confident | 46 Ų | 46 | 84.2 Ų | 84.2 | 21% | 0.213 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.2 | -80.4 | -70.2 | 0 | 0 | 0 | 112.7 | L69 A86 K87 Y92 S93 A94 | L69-H90 VanDerWaalsContact CD1-CD2 3.45Å; L69-H90 WeakPolarHBondContact CD1-CD2 3.09Å; L69-H90 WeakPolarHBondContact CD1-NE2 3.4Å; L69-H90 WeakPolarHBondContact CG-NE2 3.4Å; L69-H90 PolarHBondContact O-NE2 3.05Å; A86-H90 PolarHBondContact O-N 3.36Å; K87-H90 PolarHBondContact O-N 3.01Å; H90-Y92 PolarHBondContact O-N 2.98Å; H90-S93 PolarHBondContact O-N 2.9Å; H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.26Å; H90-A94 PolarHBondContact O-N 3.23Å |
| 91 | D | 82.3 | Confident | 71.4 | Confident | 61 Ų | 61 | 88.4 Ų | 88.4 | 33% | 0.326 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | -179.3 | -70.1 | -22.2 | 0 | 0 | 0 | 111.4 | R77 K87 A88 A95 | R77-D91 IonicContact NH1-OD1 3.11Å; R77-D91 PolarHBondContact NH1-OD1 3.44Å; R77-D91 VanDerWaalsContact NH1-OD1 3.11Å; K87-D91 WeakPolarHBondContact CG-OD2 3.42Å; K87-D91 IonicContact NZ-OD2 2.64Å; K87-D91 PolarHBondContact NZ-OD2 2.68Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.42Å; A88-D91 PolarHBondContact O-N 3.04Å; D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.25Å; D91-A95 PolarHBondContact O-N 2.94Å |
| 92 | Y | 80.3 | Confident | 69.8 | Low | 176 Ų | 176 | 85.4 Ų | 85.4 | 69% | 0.69 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.6 | -39.2 | 174.3 | -78.6 | -61.7 | 0 | 0 | 0 | 112.5 | A88 H90 A94 A95 A96 | A88-Y92 HydrophobicContact CB-CD2 4.25Å; A88-Y92 HydrophobicContact CB-CE2 4.23Å; A88-Y92 WeakPolarHBondContact O-CB 3.45Å; A88-Y92 WeakPolarHBondContact O-CD2 3.25Å; A88-Y92 PolarHBondContact O-N 3.11Å; H90-Y92 PolarHBondContact O-N 2.98Å; Y92-A94 VanDerWaalsContact C-N 3.31Å; Y92-A94 PolarHBondContact O-N 2.64Å; Y92-A95 PolarHBondContact O-N 3.31Å; Y92-A96 WeakPolarHBondContact O-CB 3.46Å; Y92-A96 PolarHBondContact O-N 3Å |
| 93 | S | 73.8 | Confident | 67.8 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 173.5 | -71.8 | 0 | 0 | 0 | 0 | 112.1 | F89 H90 A96 A97 | F89-S93 WeakPolarHBondContact O-CB 3.47Å; F89-S93 PolarHBondContact O-N 3.49Å; F89-S93 PolarHBondContact O-OG 3.5Å; H90-S93 PolarHBondContact O-N 2.9Å; S93-A96 PolarHBondContact O-N 3.45Å; S93-A97 PolarHBondContact O-N 3.36Å |
| 94 | A | 65.1 | Low | 65.8 | Low | 67 Ų | 67 | 91.6 Ų | 91.6 | 55% | 0.554 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.6 | -35.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H90 Y92 | H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.26Å; H90-A94 PolarHBondContact O-N 3.23Å; Y92-A94 VanDerWaalsContact C-N 3.31Å; Y92-A94 PolarHBondContact O-N 2.64Å |
| 95 | A | 60.8 | Low | 63.9 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 66% | 0.661 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -76.5 | -23.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D91 Y92 | D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.25Å; D91-A95 PolarHBondContact O-N 2.94Å; Y92-A95 PolarHBondContact O-N 3.31Å |
| 96 | A | 58.1 | Low | 61.6 | Low | 81 Ų | 81 | 92.6 Ų | 92.6 | 67% | 0.669 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -85.6 | -10.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y92 S93 | Y92-A96 WeakPolarHBondContact O-CB 3.46Å; Y92-A96 PolarHBondContact O-N 3Å; S93-A96 PolarHBondContact O-N 3.45Å |
| 97 | A | 44.5 | Very low | 59.6 | Low | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -66.1 | 126.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S93 S99 | S93-A97 PolarHBondContact O-N 3.36Å; A97-S99 PolarHBondContact O-N 3.38Å |
| 98 | P | 42.3 | Very low | 57.9 | Low | 124 Ų | 124 | 98.5 Ų | 98.5 | 81% | 0.805 | 63% | 0.628 | S | S | * | * | trans | -60.7 | 107.1 | 172 | 25.2 | -31.4 | 0 | 0 | 0 | 107.5 | ||||
| 99 | S | 36.8 | Very low | 55.6 | Low | 93 Ų | 93 | 105.5 Ų | 105.5 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | trans | -55.7 | 130.9 | 173 | -84.3 | 0 | 0 | 0 | 0 | 108.5 | A97 V101 | A97-S99 PolarHBondContact O-N 3.38Å; S99-V101 PolarHBondContact O-N 2.79Å | ||
| 100 | P | 46 | Very low | 53.6 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 84% | 0.844 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 19.9 | -179.8 | 30.3 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 101 | V | 49 | Very low | 51.6 | Low | 125 Ų | 125 | 110.4 Ų | 110.4 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 9.7 | -172.5 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | S99 | S99-V101 PolarHBondContact O-N 2.79Š|
| 102 | L | 45 | Very low | 49.6 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 67% | 0.665 | 72% | 0.719 | S | S | * | * | trans | -128.2 | 50.5 | 177.5 | -132.8 | 95.3 | 0 | 0 | 0 | 114.5 | N104 L105 | L102-N104 PolarHBondContact O-N 2.84Å; L102-L105 HydrophobicContact CD2-CB 4.4Å; L102-L105 HydrophobicContact CD2-CD1 3.53Å; L102-L105 HydrophobicContact CD2-CG 4Å | ||
| 103 | G | 44.9 | Very low | 48 | Very low | 76 Ų | 76 | 111.5 Ų | 111.5 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | trans | -73.9 | 58.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 104 | N | 45.9 | Very low | 46.5 | Very low | 149 Ų | 149 | 110.9 Ų | 110.9 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -171.2 | 57.4 | 161 | -135.8 | 64.3 | 0 | 0 | 0 | 116.3 | L102 | L102-N104 PolarHBondContact O-N 2.84Š| ||
| 105 | L | 44.6 | Very low | 45.7 | Very low | 136 Ų | 136 | 113.8 Ų | 113.8 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | -134.2 | 134.8 | 160.6 | -77.2 | 175.9 | 0 | 0 | 0 | 111.7 | L102 | L102-L105 HydrophobicContact CD2-CB 4.4Å; L102-L105 HydrophobicContact CD2-CD1 3.53Å; L102-L105 HydrophobicContact CD2-CG 4Å | ||
| 106 | P | 39.2 | Very low | 45.3 | Very low | 112 Ų | 112 | 115.3 Ų | 115.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -70.3 | 153.5 | -177.4 | 29.9 | -34 | 0 | 0 | 0 | 111.9 | G108 | P106-G108 PolarHBondContact O-N 3.49Š| ||
| 107 | P | 45.2 | Very low | 44.7 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -81.4 | 111.8 | -171.7 | 32 | -30.4 | 0 | 0 | 0 | 110.1 | ||
| 108 | G | 50.7 | Low | 44.7 | Very low | 68 Ų | 68 | 120.5 Ų | 120.5 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | 152.3 | 55.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117 | P106 | P106-G108 PolarHBondContact O-N 3.49Š| ||
| 109 | E | 38.1 | Very low | 45.1 | Very low | 182 Ų | 182 | 116.9 Ų | 116.9 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -140.5 | 106.2 | 156.1 | -67.5 | -165.7 | 175.9 | 0 | 0 | 109.9 | L111 | E109-L111 PolarHBondContact O-N 3.32Š| ||
| 110 | S | 46.3 | Very low | 45.7 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -64 | 112.7 | 170.1 | 49.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 111 | L | 43.8 | Very low | 45.5 | Very low | 151 Ų | 151 | 123 Ų | 123 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -100.2 | 140.9 | 165.7 | -68.7 | 176.9 | 0 | 0 | 0 | 110.2 | E109 V113 | E109-L111 PolarHBondContact O-N 3.32Å; L111-V113 PolarHBondContact O-N 2.94Å | ||
| 112 | P | 42.3 | Very low | 45.3 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -71.2 | 123.1 | -170 | 28.6 | -33.1 | 0 | 0 | 0 | 110.4 | G114 | P112-G114 PolarHBondContact O-N 3.2Š| ||
| 113 | V | 46 | Very low | 45.1 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -55.9 | 106.4 | 163.5 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | L111 | L111-V113 PolarHBondContact O-N 2.94Š| ||
| 114 | G | 41.8 | Very low | 45.3 | Very low | 52 Ų | 52 | 127 Ų | 127 | 54% | 0.536 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -60 | 145.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P112 V116 | P112-G114 PolarHBondContact O-N 3.2Å; G114-V116 PolarHBondContact O-N 3.27Å |
| 115 | P | 48.2 | Very low | 45.4 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.1 | -175.7 | 25.5 | -31.6 | 0 | 0 | 0 | 110.7 | ||
| 116 | V | 53 | Low | 44.9 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.8 | 172.7 | -151.1 | 0 | 0 | 0 | 0 | 108.6 | G114 | G114-V116 PolarHBondContact O-N 3.27Š|
| 117 | P | 45.8 | Very low | 44.8 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -63 | 134.7 | 179.7 | 21.6 | -30.1 | 0 | 0 | 0 | 110.8 | G119 | P117-G119 PolarHBondContact O-N 3.34Š|
| 118 | P | 43.8 | Very low | 44.9 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 100.8 | -179.6 | 27.7 | -30.9 | 0 | 0 | 0 | 109.2 | ||
| 119 | G | 51.1 | Low | 44.2 | Very low | 49 Ų | 49 | 136.3 Ų | 136.3 | 51% | 0.505 | 75% | 0.748 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 168.3 | -10.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P117 F121 | P117-G119 PolarHBondContact O-N 3.34Å; G119-F121 PolarHBondContact O-N 3.08Å; G119-F121 VanDerWaalsContact O-N 3.13Å |
| 120 | F | 50.1 | Low | 44.5 | Very low | 164 Ų | 164 | 134 Ų | 134 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -65.3 | -13 | -176.9 | -165.9 | -102.5 | 0 | 0 | 0 | 115.3 | ||
| 121 | F | 40.2 | Very low | 44.5 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -125.8 | 67.4 | 175.2 | -74.7 | -85.3 | 0 | 0 | 0 | 110.7 | G119 | G119-F121 PolarHBondContact O-N 3.08Å; G119-F121 VanDerWaalsContact O-N 3.13Å | ||
| 122 | Q | 44.7 | Very low | 44.2 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | -89.3 | 141.4 | 156.1 | -69.9 | -67.6 | -52.3 | 0 | 0 | 108.2 | F124 | Q122-F124 PolarHBondContact O-N 2.82Å; Q122-F124 VanDerWaalsContact O-N 3.17Å | ||
| 123 | P | 40.6 | Very low | 44.1 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | trans | -56.5 | 124.7 | 173.1 | -18 | 29.6 | 0 | 0 | 0 | 109.1 | M125 | P123-M125 PolarHBondContact O-N 3.09Š| ||
| 124 | F | 49.6 | Very low | 44.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -69.5 | 43.1 | 179.9 | -167.3 | -97.9 | 0 | 0 | 0 | 112.3 | V65 Q122 | V65-F124 HydrophobicContact CG2-CE1 3.78Å; V65-F124 HydrophobicContact CG2-CZ 4.25Å; Q122-F124 PolarHBondContact O-N 2.82Å; Q122-F124 VanDerWaalsContact O-N 3.17Å |
| 125 | M | 47.3 | Very low | 44.1 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | -145.7 | 77.7 | 179.6 | -75.5 | -73.5 | 146.5 | 0 | 0 | 108 | P123 | P123-M125 PolarHBondContact O-N 3.09Š| ||
| 126 | S | 35.1 | Very low | 43.8 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -90.9 | 124.2 | 154.5 | -72.5 | 0 | 0 | 0 | 0 | 108 | R128 | S126-R128 PolarHBondContact O-N 2.93Å; S126-R128 VanDerWaalsContact O-N 3.13Å | ||
| 127 | P | 38 | Very low | 43.3 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | trans | -57.9 | 117.1 | 171.3 | -21.5 | 32 | 0 | 0 | 0 | 109.3 | Y129 | P127-Y129 HydrophobicContact CB-CD2 4.1Å; P127-Y129 HydrophobicContact CB-CE2 4.39Å; P127-Y129 PolarHBondContact O-N 3.35Å | ||
| 128 | R | 47.3 | Very low | 43 | Very low | 240 Ų | 240 | 145.6 Ų | 145.6 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 79.9 | 167.6 | -72.2 | -170.3 | 177.3 | -162.9 | 0.9 | 108.6 | S126 | S126-R128 PolarHBondContact O-N 2.93Å; S126-R128 VanDerWaalsContact O-N 3.13Å | ||
| 129 | Y | 34.4 | Very low | 42.7 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -68.1 | 132.9 | 161.2 | -95.5 | -86.5 | 0 | 0 | 0 | 109.2 | P127 G131 | P127-Y129 HydrophobicContact CB-CD2 4.1Å; P127-Y129 HydrophobicContact CB-CE2 4.39Å; P127-Y129 PolarHBondContact O-N 3.35Å; Y129-G131 PolarHBondContact O-N 3.27Å; Y129-G131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | P | 45.1 | Very low | 42.2 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -82 | 86.9 | 169.9 | 31.8 | -28.3 | 0 | 0 | 0 | 108.5 | ||
| 131 | G | 45.6 | Very low | 41.6 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -165.9 | 79 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y129 | Y129-G131 PolarHBondContact O-N 3.27Å; Y129-G131 VanDerWaalsContact O-N 3.15Å | ||
| 132 | G | 38.9 | Very low | 41.5 | Very low | 65 Ų | 65 | 149.5 Ų | 149.5 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -161.1 | 144.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 133 | P | 38.6 | Very low | 41 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130 | -149.7 | 30.7 | -34.2 | 0 | 0 | 0 | 112.7 | ||
| 134 | R | 49.9 | Very low | 40.9 | Very low | 234 Ų | 234 | 148.8 Ų | 148.8 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 141.7 | 171.6 | -89.7 | 179.9 | 161.1 | 160.1 | -4.8 | 110.8 | ||
| 135 | P | 39.6 | Very low | 40.2 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.5 | 167.6 | 2.2 | 6.2 | 0 | 0 | 0 | 110.3 | L137 | P135-L137 PolarHBondContact O-N 2.95Å; P135-L137 VanDerWaalsContact O-N 3.08Å |
| 136 | P | 40.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -75 | 107.8 | -175.7 | 30.1 | -31.2 | 0 | 0 | 0 | 109.7 | R138 | P136-R138 PolarHBondContact O-N 2.92Š| ||
| 137 | L | 42.8 | Very low | 39.5 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -73 | 111.5 | 163.8 | -105.8 | 129 | 0 | 0 | 0 | 108.5 | P135 L139 | P135-L137 PolarHBondContact O-N 2.95Å; P135-L137 VanDerWaalsContact O-N 3.08Å; L137-L139 PolarHBondContact O-N 3.32Å | ||
| 138 | R | 40.7 | Very low | 39.7 | Very low | 248 Ų | 248 | 144.8 Ų | 144.8 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -62.3 | 111.3 | 179.6 | -166 | -166.9 | -169.5 | -177.9 | 4.5 | 110.8 | P136 | P136-R138 PolarHBondContact O-N 2.92Š| ||
| 139 | L | 37 | Very low | 38.9 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -111.8 | 137.9 | 166.4 | -144.9 | 69 | 0 | 0 | 0 | 109.2 | L137 | L137-L139 PolarHBondContact O-N 3.32Š| ||
| 140 | P | 39.1 | Very low | 39 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | trans | -84.7 | 142.5 | -165.6 | 32.8 | -29.9 | 0 | 0 | 0 | 112 | ||||
| 141 | N | 38.4 | Very low | 38.7 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 68.1 | 95.7 | 153 | -160.4 | 56.3 | 0 | 0 | 0 | 117.6 | ||||
| 142 | Q | 38.2 | Very low | 39 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -148.8 | 128.7 | 139 | -76.2 | -135.7 | 49.5 | 0 | 0 | 109.6 | ||||
| 143 | G | 34.5 | Very low | 38.9 | Very low | 58 Ų | 58 | 140.8 Ų | 140.8 | 60% | 0.598 | 82% | 0.822 | S | S | * | * | trans | -93.3 | -173.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 144 | L | 37.7 | Very low | 39.3 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 98% | 0.979 | 82% | 0.823 | S | S | * | * | trans | 88.2 | 120.7 | -172.8 | -54.8 | 157.1 | 0 | 0 | 0 | 111.5 | ||||
| 145 | G | 34.4 | Very low | 39.3 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | cis | 150.3 | 132.9 | 10.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 146 | G | 32.9 | Very low | 39.3 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 119.3 | 110.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 147 | V | 35.4 | Very low | 39.1 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -88.2 | -174.2 | 170.6 | -129.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 148 | P | 42.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | cis | -142.1 | 173.6 | -14.3 | 31.3 | -8.9 | 0 | 0 | 0 | 116.6 | ||||
| 149 | G | 31.1 | Very low | 39.3 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 136.1 | 96.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 150 | S | 35.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | 166.9 | 103.8 | 126.4 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 151 | Q | 39 | Very low | 40.5 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -104.9 | 161.7 | 160 | -78.2 | -103.9 | -50.3 | 0 | 0 | 108.1 | ||||
| 152 | P | 52.1 | Low | 40.5 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | -140.1 | 136.3 | 112.9 | 28 | -10 | 0 | 0 | 0 | 115.5 | |||||
| 153 | M | 37.3 | Very low | 40.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 69.1 | 120.6 | 133.8 | -59.8 | -66.9 | 127.1 | 0 | 0 | 119.4 | ||||
| 154 | L | 46.8 | Very low | 40.8 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | -165.6 | 142.6 | 108.2 | -87.9 | 176.2 | 0 | 0 | 0 | 110.2 | |||||
| 155 | P | 50.7 | Low | 40.8 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -111.5 | 125.2 | -177.9 | 36.4 | -24.2 | 0 | 0 | 0 | 113.3 | ||||
| 156 | T | 38.6 | Very low | 41 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -167.4 | 130.3 | 159.3 | -35.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 157 | G | 37.7 | Very low | 41.8 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | cis | 153.7 | 137.4 | 9.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 158 | M | 47.6 | Very low | 41.8 | Very low | 192 Ų | 192 | 137 Ų | 137 | 95% | 0.946 | 79% | 0.793 | S | S | * | * | trans | 83.6 | 101.4 | 165.7 | -111.4 | 90.7 | 177.5 | 0 | 0 | 121.9 | ||||
| 159 | D | 39 | Very low | 42 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | 62.4 | 119.3 | 129.2 | -152.9 | -26.1 | 0 | 0 | 0 | 123.4 | T161 | D159-T161 PolarHBondContact OD1-OG1 2.84Š| |||
| 160 | P | 50.7 | Low | 42.6 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -94.5 | 87.8 | 169.9 | 38.4 | -30.3 | 0 | 0 | 0 | 113 | ||||
| 161 | T | 50.1 | Low | 43.2 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | -139.8 | 76.6 | 170.5 | 41.9 | 0 | 0 | 0 | 0 | 113.3 | D159 | D159-T161 PolarHBondContact OD1-OG1 2.84Š| ||
| 162 | R | 38.7 | Very low | 43.5 | Very low | 237 Ų | 237 | 135 Ų | 135 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 94.2 | 146.1 | -145.1 | 173.8 | -179.2 | 172 | -0.3 | 112.3 | ||||
| 163 | Q | 41.4 | Very low | 43 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 134.6 | 157.9 | -81 | -136.7 | 42 | 0 | 0 | 111 | ||||
| 164 | Q | 39.1 | Very low | 43.6 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -162.4 | 127.4 | 143.6 | -86.1 | -166 | -11.5 | 0 | 0 | 105 | ||||
| 165 | G | 36.1 | Very low | 43.4 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | -169.7 | 171.3 | 5.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 166 | H | 38.6 | Very low | 42.8 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -72.3 | 155.1 | -148.1 | -125.1 | -102.8 | 0 | 0 | 0 | 118.7 | ||||
| 167 | P | 49.4 | Very low | 43.1 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -89.7 | 147.9 | 167.1 | 36.2 | -34.3 | 0 | 0 | 0 | 112.7 | ||||
| 168 | S | 36 | Very low | 43.8 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -172.5 | 127.3 | 168.6 | -149.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 169 | M | 46.5 | Very low | 43.9 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | cis | -144.3 | 158.6 | 16.5 | -60.5 | -172.7 | 176.5 | 0 | 0 | 105.6 | ||||
| 170 | G | 43.5 | Very low | 44.3 | Very low | 74 Ų | 74 | 150.1 Ų | 150.1 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | cis | 158.8 | 116.4 | 17.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 171 | G | 49.4 | Very low | 43.9 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 69.5 | 146.2 | 157 | 0 | 0 | 0 | 0 | 0 | 120.1 | M173 | G171-M173 PolarHBondContact O-N 3.23Š| ||
| 172 | P | 44.2 | Very low | 43.6 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | -79.3 | 115.9 | 173.9 | 32.1 | -29.4 | 0 | 0 | 0 | 109.8 | Q174 | P172-Q174 VanDerWaalsContact C-N 3.29Å; P172-Q174 PolarHBondContact O-N 3.5Å | ||
| 173 | M | 41.7 | Very low | 43.9 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 98% | 0.975 | 82% | 0.819 | S | S | * | * | trans | -73.9 | 90.2 | 167.3 | -145.9 | 172.4 | -165.7 | 0 | 0 | 108.1 | G171 | G171-M173 PolarHBondContact O-N 3.23Š| ||
| 174 | Q | 49.4 | Very low | 44.2 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -60.3 | 145.7 | 163.4 | -79 | -88.9 | 3.7 | 0 | 0 | 109.6 | P172 | P172-Q174 VanDerWaalsContact C-N 3.29Å; P172-Q174 PolarHBondContact O-N 3.5Å | ||
| 175 | R | 42.4 | Very low | 44.3 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 85% | 0.849 | 82% | 0.82 | S | S | * | * | trans | 96.8 | 88.4 | 149.6 | -142.3 | 175.8 | -162.8 | -114.6 | 2.8 | 117.6 | ||||
| 176 | M | 38.7 | Very low | 44.3 | Very low | 191 Ų | 191 | 143 Ų | 143 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | trans | -147.9 | 96.2 | 133 | -150.8 | 75.4 | 176.8 | 0 | 0 | 109.7 | ||||
| 177 | T | 45.3 | Very low | 44.9 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.6 | 172.5 | -43.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 178 | P | 52.6 | Low | 44.5 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 70% | 0.695 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.5 | 170.9 | 29.7 | -31.4 | 0 | 0 | 0 | 110.1 | R180 | P178-R180 PolarHBondContact O-N 3.5Š|
| 179 | P | 49.1 | Very low | 44.5 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78 | 121.1 | -168.5 | 31.6 | -31.9 | 0 | 0 | 0 | 110.3 | ||
| 180 | R | 48.1 | Very low | 43.9 | Very low | 247 Ų | 247 | 147.2 Ų | 147.2 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -135.8 | 117.4 | 163.7 | -145.5 | 175 | -176.2 | 122.5 | -1.2 | 108.7 | P178 | P178-R180 PolarHBondContact O-N 3.5Š| ||
| 181 | G | 42.2 | Very low | 43.6 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | 89.2 | 92.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 182 | M | 42.9 | Very low | 43 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.2 | 156.2 | -83.1 | -165.9 | 88.7 | 0 | 0 | 109.8 | ||
| 183 | V | 44.6 | Very low | 42.9 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 156 | 177.5 | 162.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 184 | P | 49.2 | Very low | 42.9 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 152.7 | -174.5 | 34 | -38.9 | 0 | 0 | 0 | 113.5 | ||
| 185 | L | 41.3 | Very low | 43.2 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | trans | -152.6 | 119.3 | 169.8 | -97.8 | 155.6 | 0 | 0 | 0 | 110.4 | ||||
| 186 | G | 35.6 | Very low | 43.7 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 137.5 | 116.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 187 | P | 51.4 | Low | 44.5 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -85.4 | 153.8 | 178.5 | 35.7 | -31.2 | 0 | 0 | 0 | 110.7 | ||||
| 188 | Q | 40.5 | Very low | 44.4 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -179.2 | 133.1 | 135.6 | -76.1 | -127.7 | 5.3 | 0 | 0 | 111.1 | ||||
| 189 | N | 35.8 | Very low | 44 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -71.9 | 153 | 178.1 | -179.8 | 36.3 | 0 | 0 | 0 | 112.1 | ||||
| 190 | Y | 33.3 | Very low | 43.2 | Very low | 215 Ų | 215 | 142.9 Ų | 142.9 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | 152.7 | 125.5 | 138.5 | -97.8 | -86.1 | 0 | 0 | 0 | 114.3 | ||||
| 191 | G | 37.5 | Very low | 42.7 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 85.9 | 104.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 192 | G | 37.2 | Very low | 42.4 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | 80.5 | 97 | 82 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 193 | G | 42.3 | Very low | 41.9 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | 94.2 | 136.2 | 76.2 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 194 | M | 40.9 | Very low | 42 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | 87.3 | 102.2 | 160.8 | -49.3 | -57.3 | -172.6 | 0 | 0 | 119.2 | ||||
| 195 | R | 56.8 | Low | 41.3 | Very low | 243 Ų | 243 | 134.8 Ų | 134.8 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -61.1 | 146.8 | 146.7 | -142.8 | 178 | 174.7 | -155.9 | -1.6 | 109.6 | ||||
| 196 | P | 51.4 | Low | 41.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -148.1 | 179.1 | 138.6 | 45.1 | -28.8 | 0 | 0 | 0 | 113.2 | ||||
| 197 | P | 55.6 | Low | 41.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | -137.3 | -170 | -99 | 30.1 | -2.9 | 0 | 0 | 0 | 114.7 | |||||
| 198 | L | 44.5 | Very low | 40.8 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -72.9 | 142.4 | 173.3 | -77.7 | 149.2 | 0 | 0 | 0 | 113.7 | ||
| 199 | N | 43.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | 17.1 | 117.9 | 159.4 | -106.5 | 30.5 | 0 | 0 | 0 | 120.9 | ||||
| 200 | A | 31.3 | Very low | 40.7 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -171.4 | 131.4 | 154 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 201 | L | 38.3 | Very low | 40.8 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | trans | 69.3 | 112.7 | 145.8 | -79.9 | 86.4 | 0 | 0 | 0 | 123.1 | ||||
| 202 | V | 36.7 | Very low | 41.1 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | 53.9 | 121.8 | 121.3 | 177.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 203 | G | 32.7 | Very low | 41.4 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -172.4 | 155.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 204 | P | 46.2 | Very low | 41 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | -122 | 155.2 | -120.9 | 37.9 | -26.8 | 0 | 0 | 0 | 117.4 | |||||
| 205 | G | 35.2 | Very low | 40.7 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | trans | 102.7 | 100.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 206 | M | 37.1 | Very low | 39.6 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -173.4 | 144.9 | 135.3 | -98.4 | -87.7 | 157.3 | 0 | 0 | 110.8 | ||||
| 207 | P | 41.9 | Very low | 39.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 84% | 0.842 | S | S | * | * | trans | -94.3 | 161.9 | -155.7 | 37.4 | -33.2 | 0 | 0 | 0 | 114.4 | ||||
| 208 | G | 37.8 | Very low | 39 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | -77.7 | 156.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 209 | M | 37.4 | Very low | 38.3 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 95% | 0.951 | 84% | 0.838 | S | S | * | * | trans | -128.8 | 116.2 | 150.9 | -78.9 | 115.7 | 116 | 0 | 0 | 109.1 | ||||
| 210 | S | 36.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -83.3 | 121.5 | 170.1 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 211 | M | 35.1 | Very low | 38.8 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 96% | 0.961 | 83% | 0.828 | S | S | * | * | trans | -141.1 | 99 | 145.3 | -92.4 | -165 | 176 | 0 | 0 | 107.7 | ||||
| 212 | G | 44.8 | Very low | 38.6 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | -86.9 | 163.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 213 | P | 43.4 | Very low | 39 | Very low | 138 Ų | 138 | 128 Ų | 128 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | -130.3 | 131.4 | 116.6 | 33 | -23.4 | 0 | 0 | 0 | 112.1 | |||||
| 214 | G | 34.3 | Very low | 39.1 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 107.2 | 98.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 215 | G | 34.3 | Very low | 38.4 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 83.1 | 124.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 216 | G | 33.3 | Very low | 38.8 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | cis | 140 | 131.8 | 29.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 217 | R | 40.3 | Very low | 38.6 | Very low | 247 Ų | 247 | 130.4 Ų | 130.4 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 167.8 | -159 | -71.3 | 171.8 | 178.8 | -93 | 0.7 | 115.9 | ||||
| 218 | P | 53.6 | Low | 38.5 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | -101.5 | 154.2 | -167 | 38.4 | -30.1 | 0 | 0 | 0 | 114.4 | ||||
| 219 | W | 29.9 | Very low | 38.5 | Very low | 249 Ų | 249 | 133.5 Ų | 133.5 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -161.5 | 160.8 | 164.7 | -89.7 | 115.9 | 0 | 0 | 0 | 110 | ||||
| 220 | P | 49.5 | Very low | 38.1 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | -113.9 | 168.2 | -109.8 | 42 | -34.2 | 0 | 0 | 0 | 116.4 | |||||
| 221 | N | 36.2 | Very low | 37.9 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -25.6 | 157.9 | 168.4 | -117.1 | 39.6 | 0 | 0 | 0 | 119.2 | ||||
| 222 | P | 34.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -115.5 | 142.4 | 116.5 | 23.6 | -12.6 | 0 | 0 | 0 | 111.9 | |||||
| 223 | P | 43.9 | Very low | 37.4 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 132.7 | -174 | 34.5 | -29.1 | 0 | 0 | 0 | 111 | ||||
| 224 | N | 35.8 | Very low | 36.7 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | 153.9 | 106.2 | 126.9 | -167.3 | 14 | 0 | 0 | 0 | 109.1 | |||||
| 225 | S | 31.5 | Very low | 37.3 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -141.2 | 106.1 | 169.9 | -74 | 0 | 0 | 0 | 0 | 109.2 | S227 | S225-S227 PolarHBondContact O-N 3.37Š| ||
| 226 | N | 42.4 | Very low | 37.2 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -49.5 | 106.2 | 140.7 | -100.3 | -7.4 | 0 | 0 | 0 | 108.3 | ||||
| 227 | S | 33 | Very low | 37.1 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | -174 | 93.7 | 155.6 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | S225 P229 | S225-S227 PolarHBondContact O-N 3.37Å; S227-P229 WeakPolarHBondContact O-CD 3.2Å | ||
| 228 | T | 41 | Very low | 37.1 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 118.9 | 155.3 | 24.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 229 | P | 36.5 | Very low | 36.3 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 128.3 | 178.6 | 30.1 | -30.6 | 0 | 0 | 0 | 111.7 | S227 S231 | S227-P229 WeakPolarHBondContact O-CD 3.2Å; P229-S231 PolarHBondContact O-N 2.84Å |
| 230 | Y | 28.9 | Very low | 36.8 | Very low | 234 Ų | 234 | 128.8 Ų | 128.8 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 125.4 | 159.2 | -98.9 | -102.8 | 0 | 0 | 0 | 109.9 | ||
| 231 | S | 32.5 | Very low | 36.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -99.6 | 110.9 | 166.2 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | P229 | P229-S231 PolarHBondContact O-N 2.84Š| ||
| 232 | S | 36 | Very low | 37.1 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 127 | 169.3 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 233 | A | 33.7 | Very low | 37.5 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -154.4 | 121.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 234 | S | 29 | Very low | 37.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -104.5 | 173.9 | 166.8 | -71.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 235 | P | 47.9 | Very low | 37.6 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | cis | -131.4 | 161.1 | -28 | 32.2 | -13.2 | 0 | 0 | 0 | 114.9 | ||||
| 236 | G | 31.5 | Very low | 38.1 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 100.5 | 109.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 237 | S | 32.2 | Very low | 38.1 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | -179.4 | 134 | 125 | -91.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 238 | Y | 39.2 | Very low | 39 | Very low | 230 Ų | 230 | 120.5 Ų | 120.5 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -83.9 | 117.2 | -171.3 | -169.7 | -88.3 | 0 | 0 | 0 | 111.8 | ||||
| 239 | V | 36.6 | Very low | 39.2 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -151.3 | 124.9 | 153.4 | -176 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 240 | G | 39.9 | Very low | 39.6 | Very low | 55 Ų | 55 | 117 Ų | 117 | 57% | 0.567 | 82% | 0.823 | S | S | * | * | trans | -72.1 | 175 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 241 | P | 47.1 | Very low | 40.2 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 140.1 | -164.3 | 33.4 | -31.7 | 0 | 0 | 0 | 113.3 | ||
| 242 | P | 46.6 | Very low | 41.1 | Very low | 128 Ų | 128 | 113.5 Ų | 113.5 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 126.3 | 155.3 | 13.8 | 1.7 | 0 | 0 | 0 | 109 | ||
| 243 | G | 42.6 | Very low | 41.6 | Very low | 81 Ų | 81 | 115.6 Ų | 115.6 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 164.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 244 | G | 41.7 | Very low | 42.5 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 92% | 0.918 | 81% | 0.81 | S | S | * | * | trans | 124 | 117.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 245 | G | 40.4 | Very low | 43 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 126.3 | 65.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 246 | G | 41.2 | Very low | 43.1 | Very low | 76 Ų | 76 | 116 Ų | 116 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 139.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 247 | A | 43.5 | Very low | 43.6 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 152.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G249 | A247-G249 PolarHBondContact O-N 2.97Š|
| 248 | P | 50.7 | Low | 44.2 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 117.1 | -175.4 | 32.5 | -30.3 | 0 | 0 | 0 | 110.7 | ||
| 249 | G | 44.9 | Very low | 44.1 | Very low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.7 | -1.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | A247 | A247-G249 PolarHBondContact O-N 2.97Š|
| 250 | T | 45.5 | Very low | 44.7 | Very low | 108 Ų | 108 | 111.8 Ų | 111.8 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | -127.9 | 126.3 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | I252 | T250-I252 PolarHBondContact O-N 3.11Å; T250-I252 VanDerWaalsContact O-N 3.08Å | ||
| 251 | P | 41.7 | Very low | 44.8 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 108.8 | 170.3 | 27.8 | -29.7 | 0 | 0 | 0 | 108.5 | M253 | P251-M253 PolarHBondContact O-N 2.82Š| ||
| 252 | I | 52.1 | Low | 44.5 | Very low | 149 Ų | 149 | 114.3 Ų | 114.3 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 106.9 | 170.4 | -61.9 | 170.9 | 0 | 0 | 0 | 106.4 | T250 | T250-I252 PolarHBondContact O-N 3.11Å; T250-I252 VanDerWaalsContact O-N 3.08Å | ||
| 253 | M | 45.3 | Very low | 44.6 | Very low | 163 Ų | 163 | 112.1 Ų | 112.1 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137.6 | 163.9 | -78.3 | -161.8 | -41.2 | 0 | 0 | 108.8 | P251 S255 | P251-M253 PolarHBondContact O-N 2.82Å; M253-S255 PolarHBondContact O-N 3.33Å |
| 254 | P | 53.6 | Low | 45 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.6 | 167.3 | 27.2 | -30.2 | 0 | 0 | 0 | 108.7 | ||
| 255 | S | 39.7 | Very low | 45.3 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 132.6 | 165.5 | -61.1 | 0 | 0 | 0 | 0 | 109 | M253 A257 | M253-S255 PolarHBondContact O-N 3.33Å; S255-A257 PolarHBondContact O-N 2.89Å |
| 256 | P | 48.2 | Very low | 45.7 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -65.4 | 105.5 | 170.2 | -14.7 | 28.5 | 0 | 0 | 0 | 108.4 | D258 | P256-D258 PolarHBondContact O-N 2.87Š| ||
| 257 | A | 42.8 | Very low | 45.7 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | -71.3 | 125.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | S255 S259 | S255-A257 PolarHBondContact O-N 2.89Å; A257-S259 PolarHBondContact O-N 3.25Å | ||
| 258 | D | 44.8 | Very low | 46 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | 35.7 | 86.1 | 147.8 | -54.1 | -39.8 | 0 | 0 | 0 | 116.2 | P256 | P256-D258 PolarHBondContact O-N 2.87Š| ||
| 259 | S | 37.8 | Very low | 45.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -116.3 | 96.8 | 160.6 | -72.8 | 0 | 0 | 0 | 0 | 110 | A257 N261 | A257-S259 PolarHBondContact O-N 3.25Å; S259-N261 PolarHBondContact O-N 2.86Å | ||
| 260 | T | 49 | Very low | 46 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 82.5 | 161.2 | -30.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 261 | N | 41.1 | Very low | 45.5 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -141.7 | 116.4 | 163.2 | -163.6 | -51.6 | 0 | 0 | 0 | 109.8 | S259 | S259-N261 PolarHBondContact O-N 2.86Š| ||
| 262 | S | 40.8 | Very low | 45.6 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 135.3 | -168.8 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | D264 | S262-D264 VanDerWaalsContact C-N 3.31Å; S262-D264 PolarHBondContact O-N 3.32Å | ||
| 263 | G | 50.1 | Low | 45.3 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | S | Bend | 63.4 | -14.9 | 115.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||
| 264 | D | 49.8 | Very low | 45.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | -109.7 | -0.7 | -159.8 | -66.5 | -45.5 | 0 | 0 | 0 | 116.6 | S262 | S262-D264 VanDerWaalsContact C-N 3.31Å; S262-D264 PolarHBondContact O-N 3.32Å | ||
| 265 | N | 48.8 | Very low | 45.3 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5.6 | -170.7 | -97.2 | -6.9 | 0 | 0 | 0 | 117.1 | ||
| 266 | M | 47.4 | Very low | 45.5 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -17.3 | -179.2 | -66.8 | -102.8 | -82.5 | 0 | 0 | 113.5 | ||
| 267 | Y | 41.8 | Very low | 45 | Very low | 226 Ų | 226 | 125.8 Ų | 125.8 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -93.6 | -12.7 | 178.7 | -83.5 | -80.1 | 0 | 0 | 0 | 114.2 | ||
| 268 | T | 49.3 | Very low | 44.7 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 51% | 0.509 | 77% | 0.773 | S | S | . | * | G | 310 helix | trans | -89.2 | -14.9 | -173.4 | -10.9 | 0 | 0 | 0 | 0 | 114.3 | I270 | T268-I270 PolarHBondContact O-N 2.99Š|
| 269 | M | 45.2 | Very low | 44.7 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -74.7 | -4.9 | -179.3 | -72.3 | -173.3 | -76.8 | 0 | 0 | 114.4 | ||
| 270 | I | 50.6 | Low | 44.8 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -102 | 2.4 | 179.1 | -110.5 | 154 | 0 | 0 | 0 | 114 | T268 | T268-I270 PolarHBondContact O-N 2.99Š|
| 271 | N | 36 | Very low | 44 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | -117.2 | 116.4 | 173.6 | -110 | -11.4 | 0 | 0 | 0 | 110.8 | V273 | N271-V273 PolarHBondContact O-N 3.41Š| ||
| 272 | T | 43 | Very low | 43.7 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -72.9 | 39.1 | 176.1 | 43.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 273 | V | 46.5 | Very low | 44.1 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 66% | 0.655 | 78% | 0.779 | S | S | * | * | trans | -136.8 | 117.8 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | N271 | N271-V273 PolarHBondContact O-N 3.41Š| ||
| 274 | P | 49 | Very low | 43.6 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 139.6 | 174.8 | 0.9 | 13.2 | 0 | 0 | 0 | 111.2 | G276 | P274-G276 PolarHBondContact O-N 3.31Š| ||
| 275 | P | 49.8 | Very low | 43 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -78.7 | 116 | 171.4 | 30.5 | -29.5 | 0 | 0 | 0 | 110.5 | ||||
| 276 | G | 42.8 | Very low | 42.4 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | 44.5 | 83.5 | 149 | 0 | 0 | 0 | 0 | 0 | 118.5 | P274 | P274-G276 PolarHBondContact O-N 3.31Š| ||
| 277 | G | 37.9 | Very low | 42 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -130.7 | 103.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 278 | S | 36.9 | Very low | 41.9 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 40.1 | 101.8 | 148.7 | -47.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 279 | R | 45.5 | Very low | 41.3 | Very low | 240 Ų | 240 | 129.6 Ų | 129.6 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -54 | 136.3 | 166 | -68.3 | 176.9 | 166.1 | -171.4 | -5.1 | 111.4 | N281 | R279-N281 PolarHBondContact O-N 3.22Š| ||
| 280 | P | 39.4 | Very low | 40.9 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 111.7 | 155.2 | 13.3 | -3.7 | 0 | 0 | 0 | 108.6 | F282 | P280-F282 PolarHBondContact O-N 3.31Š| ||
| 281 | N | 32.9 | Very low | 40.9 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -60.6 | 113.3 | 169.9 | -175.6 | 69.3 | 0 | 0 | 0 | 109.6 | R279 | R279-N281 PolarHBondContact O-N 3.22Š| ||
| 282 | F | 33.6 | Very low | 41.2 | Very low | 187 Ų | 187 | 125.7 Ų | 125.7 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | trans | -58.7 | 132.1 | 160.3 | -73.9 | -88.3 | 0 | 0 | 0 | 108.3 | P280 M284 | P280-F282 PolarHBondContact O-N 3.31Å; F282-M284 PolarHBondContact O-N 3.25Å; F282-M284 VanDerWaalsContact O-N 3.08Å | ||
| 283 | P | 50.5 | Low | 40.9 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -73 | 103.8 | 165.4 | 29.2 | -27.1 | 0 | 0 | 0 | 107.3 | G285 | P283-G285 PolarHBondContact O-N 3.33Å; P283-G285 VanDerWaalsContact O-N 3.14Å | ||
| 284 | M | 39.6 | Very low | 40.6 | Very low | 189 Ų | 189 | 121 Ų | 121 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | -60.3 | 110.6 | 156.5 | -110.2 | -99.8 | -175.5 | 0 | 0 | 106.3 | F282 | F282-M284 PolarHBondContact O-N 3.25Å; F282-M284 VanDerWaalsContact O-N 3.08Å | ||
| 285 | G | 36.5 | Very low | 40 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P283 | P283-G285 PolarHBondContact O-N 3.33Å; P283-G285 VanDerWaalsContact O-N 3.14Å |
| 286 | G | 36.6 | Very low | 39.3 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 150.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 287 | G | 39.5 | Very low | 39.1 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 150 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 288 | S | 38.2 | Very low | 39.1 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | -149.7 | 106.8 | 161 | 58.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 289 | D | 38 | Very low | 39 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | 42.6 | 118.2 | 134.6 | -53.3 | -57.1 | 0 | 0 | 0 | 120.7 | ||||
| 290 | G | 35.8 | Very low | 39.1 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 144.7 | 148.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 291 | P | 50.3 | Low | 39 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -114.8 | 178 | -136.6 | 30.2 | -12.4 | 0 | 0 | 0 | 116.2 | ||||
| 292 | L | 41.8 | Very low | 39.7 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 87.5 | 129.4 | 175.2 | -66.5 | 99.2 | 0 | 0 | 0 | 115.6 | ||||
| 293 | G | 37.7 | Very low | 40 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | cis | 163.9 | 141.3 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 294 | G | 39.3 | Very low | 39.4 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 82.7 | 141.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 295 | M | 38.2 | Very low | 39.3 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | cis | -173.3 | 137.8 | -2.8 | -166.2 | 144.3 | 89.3 | 0 | 0 | 107.4 | ||||
| 296 | A | 35.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | 46.5 | 138.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 297 | G | 36.9 | Very low | 39.9 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | cis | 140.1 | 140.5 | 21.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 298 | M | 38.3 | Very low | 39.7 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 96% | 0.961 | 81% | 0.808 | S | S | * | * | trans | 81.5 | 97.5 | 159 | -66.2 | 171.2 | 168.3 | 0 | 0 | 121 | ||||
| 299 | E | 34.2 | Very low | 39.8 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | 50.5 | 138.7 | 121.7 | -148.7 | 148.5 | 97 | 0 | 0 | 122.5 | |||||
| 300 | P | 48.4 | Very low | 39.9 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | trans | -101.9 | 118 | -172.3 | 35 | -22.1 | 0 | 0 | 0 | 113 | ||||
| 301 | H | 38 | Very low | 40.4 | Very low | 155 Ų | 155 | 129 Ų | 129 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -144.7 | 149.8 | 166.5 | -73.5 | -45.3 | 0 | 0 | 0 | 115.3 | ||||
| 302 | H | 46.2 | Very low | 40.2 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 70% | 0.704 | 80% | 0.803 | S | S | * | * | trans | -59.5 | 143.7 | -174.3 | 36.3 | -92.3 | 0 | 0 | 0 | 116.8 | ||||
| 303 | M | 40.3 | Very low | 40.5 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 96% | 0.956 | 80% | 0.795 | S | S | * | * | trans | -145.6 | 127.7 | 154.4 | -134.8 | 90.3 | -178.6 | 0 | 0 | 112 | ||||
| 304 | N | 39.4 | Very low | 40.4 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -65.3 | 151.2 | 179.8 | 179.3 | 22.7 | 0 | 0 | 0 | 114.1 | ||||
| 305 | G | 35.6 | Very low | 40.4 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 89.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 306 | S | 41.6 | Very low | 40.4 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -72.2 | 153.6 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 307 | L | 44.6 | Very low | 40.5 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | 178.5 | 120.5 | 126 | -88.6 | 176.4 | 0 | 0 | 0 | 112.5 | |||||
| 308 | G | 35.2 | Very low | 40.3 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 115.3 | 75.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 309 | S | 40 | Very low | 40.4 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | 68.4 | 96.4 | 92 | -143.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 310 | S | 41.6 | Very low | 41.1 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | 69.8 | 99.6 | 106 | 68.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 311 | D | 44.9 | Very low | 40.3 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | 83.1 | 133.5 | 81.3 | -68.7 | -49.7 | 0 | 0 | 0 | 115.3 | |||||
| 312 | M | 46.7 | Very low | 40.1 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 94.7 | 98.9 | 154.8 | -65.9 | -103.9 | -158.7 | 0 | 0 | 122.1 | ||||
| 313 | D | 47.6 | Very low | 40 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | 59.6 | 110.6 | 119.5 | -64.6 | -72.8 | 0 | 0 | 0 | 122.5 | |||||
| 314 | S | 36.5 | Very low | 39.7 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -167 | 115.5 | 137.6 | -91.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 315 | L | 38.3 | Very low | 39.5 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 80.9 | 104.9 | 143.2 | -71.2 | 141 | 0 | 0 | 0 | 121 | ||||
| 316 | S | 38.3 | Very low | 39.8 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | 59.6 | 89.4 | 133.4 | -59.5 | 0 | 0 | 0 | 0 | 120.3 | N318 | S316-N318 PolarHBondContact O-N 3.08Š| ||
| 317 | K | 37.4 | Very low | 39.5 | Very low | 215 Ų | 215 | 134.8 Ų | 134.8 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 98 | 148.5 | -81.1 | 177.6 | 172.5 | 174.9 | 0 | 109.4 | S319 | K317-S319 PolarHBondContact O-N 3.14Š| ||
| 318 | N | 34.1 | Very low | 39.2 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 117.3 | 166.7 | -90.1 | -52.4 | 0 | 0 | 0 | 110.4 | S316 | S316-N318 PolarHBondContact O-N 3.08Š| ||
| 319 | S | 39.8 | Very low | 39.8 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -92.4 | 155.7 | 139.1 | -71.9 | 0 | 0 | 0 | 0 | 108 | K317 | K317-S319 PolarHBondContact O-N 3.14Š| ||
| 320 | P | 47.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | -145 | 156.3 | 103.9 | 36 | -20.4 | 0 | 0 | 0 | 111.9 | |||||
| 321 | G | 32.7 | Very low | 39.4 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | -176 | 140.9 | 5.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | N | 33.9 | Very low | 39.7 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -107.8 | 108 | 155.3 | -178.9 | 12.7 | 0 | 0 | 0 | 105.3 | ||||
| 323 | L | 42.8 | Very low | 39.6 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -92.4 | 109.7 | 166.8 | -76.7 | 174.8 | 0 | 0 | 0 | 108.1 | ||||
| 324 | S | 34.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | trans | -44.8 | 126.6 | 162 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 325 | M | 36.3 | Very low | 39.6 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -135.7 | 93 | 138.5 | -89.4 | -152.1 | -179.2 | 0 | 0 | 108.9 | ||||
| 326 | S | 41.5 | Very low | 39.6 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -40.6 | 125.1 | 144.3 | 36.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 327 | N | 34.6 | Very low | 39.7 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -150.8 | 129.5 | 142.7 | -106.5 | 0.6 | 0 | 0 | 0 | 110.5 | ||||
| 328 | Q | 39.3 | Very low | 39.9 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -85.8 | 178.1 | 179.9 | -113.3 | -151.1 | -34 | 0 | 0 | 111.3 | ||||
| 329 | P | 46.6 | Very low | 40.1 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -86.2 | 150 | -150.5 | 36.6 | -35.2 | 0 | 0 | 0 | 114.5 | ||||
| 330 | G | 34.3 | Very low | 40.1 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -166 | 137.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 331 | T | 40.4 | Very low | 39.6 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -67.7 | 170 | -176.7 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 332 | P | 50.6 | Low | 39.8 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -80.5 | 142.2 | -156.1 | 34.6 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 333 | R | 44 | Very low | 40.1 | Very low | 222 Ų | 222 | 142 Ų | 142 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -136.1 | 97 | 173.7 | -162.6 | 167.2 | -179.2 | 87.4 | 3.3 | 110.9 | ||||
| 334 | E | 43.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | 26.7 | 145.4 | 122.7 | -12.6 | -160.8 | 156.9 | 0 | 0 | 118.9 | |||||
| 335 | D | 42.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 84.9 | 127.1 | 171.1 | -52 | -49.5 | 0 | 0 | 0 | 116.9 | ||||
| 336 | G | 36.3 | Very low | 40.9 | Very low | 59 Ų | 59 | 141.3 Ų | 141.3 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | cis | 170.3 | 131.2 | 5.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 337 | E | 42.3 | Very low | 40.7 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 68.3 | 99.5 | 139.3 | -61.8 | 157.1 | 102.1 | 0 | 0 | 120.5 | ||||
| 338 | M | 41.3 | Very low | 40.7 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 99% | 0.99 | 80% | 0.8 | S | S | * | * | -153.9 | 102.9 | 127 | -130.2 | 164.4 | -172.1 | 0 | 0 | 113.4 | |||||
| 339 | G | 36.8 | Very low | 40.6 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 83.8 | 109.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 340 | G | 40.5 | Very low | 40.1 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 154.1 | 64.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 341 | N | 37.6 | Very low | 40.2 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 55.2 | 106 | 142.7 | -62.4 | -15.9 | 0 | 0 | 0 | 122.1 | ||||
| 342 | F | 37.3 | Very low | 40 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | trans | -23.7 | 137.4 | 149.9 | -66.6 | -95.3 | 0 | 0 | 0 | 119.6 | ||||
| 343 | L | 40.6 | Very low | 40.1 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 54.2 | 124.3 | 139.9 | -56.1 | 165.5 | 0 | 0 | 0 | 117.8 | ||||
| 344 | N | 37.4 | Very low | 39.8 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -169.6 | 163.7 | 55.8 | -134.5 | 13.5 | 0 | 0 | 0 | 110.6 | |||||
| 345 | P | 50.1 | Low | 40 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 58% | 0.584 | 80% | 0.802 | S | S | * | * | trans | -85.8 | 160 | 178.6 | 34.4 | -27.4 | 0 | 0 | 0 | 112.3 | ||||
| 346 | F | 42.9 | Very low | 40.3 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | 81 | 88.8 | 176.3 | -58.1 | -83 | 0 | 0 | 0 | 118.3 | ||||
| 347 | Q | 37.2 | Very low | 40.8 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 135 | 143 | -65.6 | -166.4 | -27.6 | 0 | 0 | 105.2 | ||||
| 348 | N | 33.9 | Very low | 41 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | cis | -162.6 | 148 | 9.6 | -136.3 | -41.2 | 0 | 0 | 0 | 107.8 | ||||
| 349 | E | 36.5 | Very low | 41.4 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -47 | 137.2 | 172.4 | -72.7 | 98.3 | 107.8 | 0 | 0 | 115.2 | ||||
| 350 | S | 35.9 | Very low | 41.6 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -116.6 | 81 | 147.3 | -72.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 351 | Y | 37.3 | Very low | 41.7 | Very low | 202 Ų | 202 | 154.5 Ų | 154.5 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | -72 | 138 | 161.5 | -120.6 | -96.1 | 0 | 0 | 0 | 108.9 | ||||
| 352 | S | 35.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | -142.7 | 141.3 | 149.6 | -79.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 353 | P | 53.7 | Low | 42.2 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 68% | 0.682 | 83% | 0.825 | S | S | * | * | trans | -102.8 | 152.7 | -153.5 | 37.4 | -29.2 | 0 | 0 | 0 | 112.8 | ||||
| 354 | N | 37.6 | Very low | 42.3 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -162.4 | 119.7 | 131.7 | -120.1 | -42.9 | 0 | 0 | 0 | 112.5 | ||||
| 355 | M | 46.8 | Very low | 42.6 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 89% | 0.892 | 83% | 0.83 | S | S | * | * | trans | -73.7 | 141.4 | 166 | -76.9 | 145.7 | 128.6 | 0 | 0 | 109.9 | ||||
| 356 | T | 49 | Very low | 42.1 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 76% | 0.755 | 85% | 0.847 | S | S | * | * | -169.2 | 115.6 | 122.9 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 357 | M | 46.8 | Very low | 42 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 91% | 0.911 | 85% | 0.845 | S | S | * | * | trans | -72.5 | 132.7 | 155.8 | -81.6 | -81.5 | -168.8 | 0 | 0 | 107.4 | ||||
| 358 | S | 46.5 | Very low | 42.4 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 84% | 0.843 | S | S | * | * | trans | -119.8 | 137.5 | 158.4 | -71.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 359 | V | 49.2 | Very low | 43.2 | Very low | 220 Ų | 220 | 153.1 Ų | 153.1 | 100% | 1.333 | 86% | 0.856 | S | S | * | * | trans | -59.6 | 0 | -160.4 | -175.1 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 359 of 359 residues in 183.2 ms
(Link to these results)