| 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 | 70.7 | Confident | 81.9 | Confident | 229 Ų | 229 | 113.3 Ų | 113.3 | 100% | 1.128 | 58% | 0.581 | S | S | * | * | 0 | 127.4 | 0 | -73.2 | 179.6 | 144.6 | 0 | 0 | 109.1 | |||||
| 2 | A | 74.2 | Confident | 81.7 | Confident | 62 Ų | 62 | 117.8 Ų | 117.8 | 51% | 0.512 | 59% | 0.585 | S | S | . | * | trans | -64.3 | 135.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | T | 87.1 | Confident | 81.1 | Confident | 70 Ų | 70 | 118.6 Ų | 118.6 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | trans | -68 | 155 | -177.9 | 78.2 | 0 | 0 | 0 | 0 | 111.4 | M5 H6 R7 | T3-M5 PolarHBondContact O-N 3.07Å; T3-M5 VanDerWaalsContact O-N 3.14Å; T3-H6 PolarHBondContact O-N 2.63Å; T3-H6 PolarHBondContact OG1-ND1 2.95Å; T3-R7 PolarHBondContact O-N 3.5Å | ||
| 4 | P | 84.7 | Confident | 80.4 | Confident | 95 Ų | 95 | 114.1 Ų | 114.1 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -55 | -34.3 | -177.2 | -27.2 | 35.3 | 0 | 0 | 0 | 114 | R7 I8 | P4-R7 PolarHBondContact O-N 3.36Å; P4-I8 WeakPolarHBondContact O-CG1 3.26Å; P4-I8 PolarHBondContact O-N 2.92Å |
| 5 | M | 87.6 | Confident | 79.9 | Confident | 123 Ų | 123 | 113.3 Ų | 113.3 | 61% | 0.606 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.4 | -42 | 176.6 | -75.5 | -65.5 | -74.4 | 0 | 0 | 112.7 | T3 R7 I8 I9 | T3-M5 PolarHBondContact O-N 3.07Å; T3-M5 VanDerWaalsContact O-N 3.14Å; M5-R7 VanDerWaalsContact C-N 3.27Å; M5-R7 PolarHBondContact O-N 2.98Å; M5-I8 PolarHBondContact O-N 3.46Å; M5-I8 VanDerWaalsContact O-N 3.17Å; M5-I9 WeakPolarHBondContact O-CG1 3.49Å; M5-I9 PolarHBondContact O-N 2.97Å |
| 6 | H | 83.6 | Confident | 79 | Confident | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.1 | -34.6 | 177.4 | -69.8 | 95.9 | 0 | 0 | 0 | 112 | T3 I9 A10 | T3-H6 PolarHBondContact O-N 2.63Å; T3-H6 PolarHBondContact OG1-ND1 2.95Å; H6-I9 PolarHBondContact O-N 3.48Å; H6-A10 VanDerWaalsContact O-CB 3.31Å; H6-A10 WeakPolarHBondContact O-CB 3.45Å; H6-A10 PolarHBondContact O-N 3.18Å |
| 7 | R | 84.6 | Confident | 78.5 | Confident | 156 Ų | 156 | 109.5 Ų | 109.5 | 59% | 0.589 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -38.7 | 175.2 | -66 | -178.4 | -177.6 | 156.8 | -0.5 | 112.3 | T3 P4 M5 R11 | T3-R7 PolarHBondContact O-N 3.5Å; P4-R7 PolarHBondContact O-N 3.36Å; M5-R7 VanDerWaalsContact C-N 3.27Å; M5-R7 PolarHBondContact O-N 2.98Å; R7-R11 WeakPolarHBondContact O-CB 3.31Å; R7-R11 PolarHBondContact O-N 2.92Å |
| 8 | I | 83.8 | Confident | 78.4 | Confident | 76 Ų | 76 | 106.4 Ų | 106.4 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 177.7 | -65.1 | 166 | 0 | 0 | 0 | 110.6 | P4 M5 R11 R12 | P4-I8 WeakPolarHBondContact O-CG1 3.26Å; P4-I8 PolarHBondContact O-N 2.92Å; M5-I8 PolarHBondContact O-N 3.46Å; M5-I8 VanDerWaalsContact O-N 3.17Å; I8-R11 PolarHBondContact O-N 3.4Å; I8-R12 WeakPolarHBondContact O-CG 3.39Å; I8-R12 PolarHBondContact O-N 3.45Å |
| 9 | I | 84 | Confident | 78.5 | Confident | 79 Ų | 79 | 108 Ų | 108 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63 | -46.9 | 177.5 | -65.5 | 164.6 | 0 | 0 | 0 | 110.1 | M5 H6 R11 R12 Q13 | M5-I9 WeakPolarHBondContact O-CG1 3.49Å; M5-I9 PolarHBondContact O-N 2.97Å; H6-I9 PolarHBondContact O-N 3.48Å; I9-R11 PolarHBondContact O-N 2.87Å; I9-R12 PolarHBondContact O-N 2.95Å; I9-Q13 PolarHBondContact O-N 3.34Å; I9-Q13 PolarHBondContact O-OE1 3.03Å |
| 10 | A | 80.9 | Confident | 78.8 | Confident | 59 Ų | 59 | 110.4 Ų | 110.4 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.6 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H6 Q13 A14 | H6-A10 VanDerWaalsContact O-CB 3.31Å; H6-A10 WeakPolarHBondContact O-CB 3.45Å; H6-A10 PolarHBondContact O-N 3.18Å; A10-Q13 PolarHBondContact O-N 2.99Å; A10-A14 WeakPolarHBondContact O-CB 3.35Å; A10-A14 PolarHBondContact O-N 3.15Å |
| 11 | R | 80.1 | Confident | 79.4 | Confident | 177 Ų | 177 | 106.2 Ų | 106.2 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 174.5 | -177.5 | -178.7 | -81.6 | 174.3 | -6.9 | 111.4 | R7 I8 I9 Q13 A14 E15 | R7-R11 WeakPolarHBondContact O-CB 3.31Å; R7-R11 PolarHBondContact O-N 2.92Å; I8-R11 PolarHBondContact O-N 3.4Å; I9-R11 PolarHBondContact O-N 2.87Å; R11-Q13 VanDerWaalsContact C-N 3.32Å; R11-Q13 PolarHBondContact O-N 3.45Å; R11-A14 PolarHBondContact O-N 3.26Å; R11-E15 HydrophobicContact CG-CG 4.46Å; R11-E15 VanDerWaalsContact CG-OE1 3.32Å; R11-E15 WeakPolarHBondContact CG-OE1 3.48Å; R11-E15 WeakPolarHBondContact O-CB 3.46Å; R11-E15 WeakPolarHBondContact O-CG 3.33Å; R11-E15 PolarHBondContact O-N 3.06Å |
| 12 | R | 79.1 | Confident | 80.4 | Confident | 167 Ų | 167 | 102.1 Ų | 102.1 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 175.8 | -74 | 179.1 | -176.5 | 166.1 | 1.4 | 112.2 | I8 I9 E15 A16 | I8-R12 WeakPolarHBondContact O-CG 3.39Å; I8-R12 PolarHBondContact O-N 3.45Å; I9-R12 PolarHBondContact O-N 2.95Å; R12-E15 PolarHBondContact O-N 3.34Å; R12-A16 VanDerWaalsContact O-CB 3.24Å; R12-A16 WeakPolarHBondContact O-CB 3.41Å; R12-A16 PolarHBondContact O-N 3.23Å |
| 13 | Q | 74.4 | Confident | 81.3 | Confident | 129 Ų | 129 | 99.2 Ų | 99.2 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 175.4 | -129.7 | 97 | 15.1 | 0 | 0 | 111.1 | I9 A10 R11 A16 N17 | I9-Q13 PolarHBondContact O-N 3.34Å; I9-Q13 PolarHBondContact O-OE1 3.03Å; A10-Q13 PolarHBondContact O-N 2.99Å; R11-Q13 VanDerWaalsContact C-N 3.32Å; R11-Q13 PolarHBondContact O-N 3.45Å; Q13-A16 PolarHBondContact O-N 3.28Å; Q13-N17 WeakPolarHBondContact O-CB 3.39Å; Q13-N17 PolarHBondContact O-N 2.86Å |
| 14 | A | 70.3 | Confident | 81.6 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A10 R11 N17 K18 | A10-A14 WeakPolarHBondContact O-CB 3.35Å; A10-A14 PolarHBondContact O-N 3.15Å; R11-A14 PolarHBondContact O-N 3.26Å; A14-N17 PolarHBondContact O-N 3.45Å; A14-K18 WeakPolarHBondContact O-CG 3.38Å; A14-K18 PolarHBondContact O-N 3.25Å |
| 15 | E | 73 | Confident | 82 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 174.9 | -74.1 | 168.2 | -178 | 0 | 0 | 112.2 | R11 R12 N17 K18 Q19 | R11-E15 HydrophobicContact CG-CG 4.46Å; R11-E15 VanDerWaalsContact CG-OE1 3.32Å; R11-E15 WeakPolarHBondContact CG-OE1 3.48Å; R11-E15 WeakPolarHBondContact O-CB 3.46Å; R11-E15 WeakPolarHBondContact O-CG 3.33Å; R11-E15 PolarHBondContact O-N 3.06Å; R12-E15 PolarHBondContact O-N 3.34Å; E15-N17 VanDerWaalsContact C-N 3.32Å; E15-K18 WeakPolarHBondContact O-CB 3.28Å; E15-K18 PolarHBondContact O-N 3.37Å; E15-Q19 PolarHBondContact O-N 3.43Å |
| 16 | A | 66.6 | Low | 82.2 | Confident | 63 Ų | 63 | 97.8 Ų | 97.8 | 52% | 0.521 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R12 Q13 K18 Q19 | R12-A16 VanDerWaalsContact O-CB 3.24Å; R12-A16 WeakPolarHBondContact O-CB 3.41Å; R12-A16 PolarHBondContact O-N 3.23Å; Q13-A16 PolarHBondContact O-N 3.28Å; A16-K18 VanDerWaalsContact C-N 3.29Å; A16-K18 PolarHBondContact O-N 2.89Å; A16-Q19 WeakPolarHBondContact O-CB 3.36Å; A16-Q19 PolarHBondContact O-N 3.43Å; A16-Q19 VanDerWaalsContact O-N 3.11Å |
| 17 | N | 69.8 | Low | 82.6 | Confident | 98 Ų | 98 | 94.6 Ų | 94.6 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 175.6 | -153.2 | -89.4 | 0 | 0 | 0 | 111.6 | Q13 A14 E15 Q19 H20 V21 | Q13-N17 WeakPolarHBondContact O-CB 3.39Å; Q13-N17 PolarHBondContact O-N 2.86Å; A14-N17 PolarHBondContact O-N 3.45Å; E15-N17 VanDerWaalsContact C-N 3.32Å; N17-Q19 VanDerWaalsContact C-N 3.27Å; N17-Q19 PolarHBondContact O-N 2.84Å; N17-H20 PolarHBondContact O-N 3.38Å; N17-V21 PolarHBondContact O-N 3.18Å |
| 18 | K | 76.6 | Confident | 82.9 | Confident | 54 Ų | 54 | 93.1 Ų | 93.1 | 24% | 0.235 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.2 | -28.2 | 172.9 | -73 | 170.4 | 177.4 | -101 | 0 | 112.9 | A14 E15 A16 H20 V21 G30 E35 | A14-K18 WeakPolarHBondContact O-CG 3.38Å; A14-K18 PolarHBondContact O-N 3.25Å; E15-K18 WeakPolarHBondContact O-CB 3.28Å; E15-K18 PolarHBondContact O-N 3.37Å; A16-K18 VanDerWaalsContact C-N 3.29Å; A16-K18 PolarHBondContact O-N 2.89Å; K18-H20 VanDerWaalsContact C-N 3.3Å; K18-H20 PolarHBondContact O-N 3.36Å; K18-V21 WeakPolarHBondContact O-CG1 3.48Å; K18-G30 CarbonylContact O-C 3.16Å; K18-G30 WeakPolarHBondContact O-CA 3.48Å; K18-G30 PolarHBondContact O-N 3.24Å; K18-E35 IonicContact NZ-OE1 2.82Å; K18-E35 PolarHBondContact NZ-OE1 2.92Å; K18-E35 IonicContact NZ-OE2 2.83Å; K18-E35 PolarHBondContact NZ-OE2 3.36Å |
| 19 | Q | 79.7 | Confident | 83.3 | Confident | 137 Ų | 137 | 95.3 Ų | 95.3 | 64% | 0.64 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.1 | -29.4 | 178 | -60.2 | -58.4 | -51.5 | 0 | 0 | 113 | E15 A16 N17 | E15-Q19 PolarHBondContact O-N 3.43Å; A16-Q19 WeakPolarHBondContact O-CB 3.36Å; A16-Q19 PolarHBondContact O-N 3.43Å; A16-Q19 VanDerWaalsContact O-N 3.11Å; N17-Q19 VanDerWaalsContact C-N 3.27Å; N17-Q19 PolarHBondContact O-N 2.84Å |
| 20 | H | 84.8 | Confident | 83.7 | Confident | 155 Ų | 155 | 92.9 Ų | 92.9 | 72% | 0.718 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -93.4 | -17.5 | -179.8 | -175.4 | 74 | 0 | 0 | 0 | 113.4 | N17 K18 R22 F29 | N17-H20 PolarHBondContact O-N 3.38Å; K18-H20 VanDerWaalsContact C-N 3.3Å; K18-H20 PolarHBondContact O-N 3.36Å; H20-R22 PolarHBondContact O-N 2.97Å; H20-F29 WeakPolarHBondContact O-CD1 3.39Å |
| 21 | V | 90.9 | Very high | 84.3 | Confident | 23 Ų | 23 | 91.8 Ų | 91.8 | 14% | 0.139 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 127.9 | -179.9 | 76.5 | 0 | 0 | 0 | 0 | 110.8 | N17 K18 F29 G30 H31 W32 | N17-V21 PolarHBondContact O-N 3.18Å; K18-V21 WeakPolarHBondContact O-CG1 3.48Å; V21-F29 CarbonylContact O-C 3.59Å; V21-F29 VanDerWaalsContact O-CA 3.27Å; V21-F29 WeakPolarHBondContact O-CA 3.35Å; V21-G30 PolarHBondContact O-N 3.47Å; V21-G30 VanDerWaalsContact O-N 3.09Å; V21-H31 WeakPolarHBondContact CG1-O 3.42Å; V21-W32 HydrophobicContact CB-CH2 4.33Å; V21-W32 HydrophobicContact CB-CZ2 4.29Å; V21-W32 HydrophobicContact CB-CZ3 4.47Å; V21-W32 HydrophobicContact CG1-CD2 4.21Å; V21-W32 HydrophobicContact CG1-CG 4.43Å; V21-W32 HydrophobicContact CG2-CD2 3.98Å; V21-W32 HydrophobicContact CG2-CE3 3.62Å; V21-W32 HydrophobicContact CG2-CH2 3.84Å; V21-W32 HydrophobicContact CG2-CZ2 4.2Å; V21-W32 HydrophobicContact CG2-CZ3 3.54Å |
| 22 | R | 93.2 | Very high | 84.9 | Confident | 144 Ų | 144 | 87.6 Ų | 87.6 | 54% | 0.543 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -94.7 | 122.8 | 173.1 | -166.6 | 178.3 | -173.1 | 169.5 | 1.5 | 110.2 | H20 Q24 L27 F29 | H20-R22 PolarHBondContact O-N 2.97Å; R22-Q24 PolarHBondContact O-N 3.26Å; R22-L27 PolarHBondContact NE-O 3.25Å; R22-L27 PolarHBondContact NH2-O 3.18Å; R22-F29 HydrophobicContact CB-CD1 3.89Å; R22-F29 HydrophobicContact CB-CE1 3.69Å; R22-F29 HydrophobicContact CB-CZ 4.33Å; R22-F29 HydrophobicContact CG-CD1 4.33Å; R22-F29 HydrophobicContact CG-CE1 4.09Å; R22-F29 HydrophobicContact CG-CZ 4.27Å |
| 23 | C | 93.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 124 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | K25 C26 L27 E28 H31 C36 | C23-K25 PolarHBondContact O-N 2.77Å; C23-K25 PolarHBondContact SG-N 3.33Å; C23-K25 VanDerWaalsContact SG-N 3.35Å; C23-C26 VanDerWaalsContact SG-SG 3.69Å; C23-L27 WeakPolarHBondContact O-CA 3.2Å; C23-L27 PolarHBondContact O-N 2.95Å; C23-E28 WeakPolarHBondContact CB-O 3.42Å; C23-E28 PolarHBondContact N-O 3.11Å; C23-H31 VanDerWaalsContact CB-NE2 3.29Å; C23-H31 WeakPolarHBondContact CB-NE2 3.29Å; C23-H31 PolarHBondContact SG-NE2 3.34Å; C23-C36 VanDerWaalsContact SG-CB 3.55Å; C23-C36 PolarHBondContact SG-SG 3.37Å |
| 24 | Q | 92.1 | Very high | 86.4 | Confident | 169 Ų | 169 | 84.4 Ų | 84.4 | 79% | 0.79 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.9 | 176.3 | -165.2 | 173.4 | 51.2 | 0 | 0 | 113.5 | R22 T33 | R22-Q24 PolarHBondContact O-N 3.26Å; Q24-T33 HydrophobicContact CB-CG2 3.67Å; Q24-T33 VanDerWaalsContact N-CG2 3.3Å |
| 25 | K | 94.2 | Very high | 87.5 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -54.4 | -173.6 | -141.2 | 163.3 | 177.6 | -168.8 | 0 | 111.9 | C23 C36 R40 K41 | C23-K25 PolarHBondContact O-N 2.77Å; C23-K25 PolarHBondContact SG-N 3.33Å; C23-K25 VanDerWaalsContact SG-N 3.35Å; K25-C36 HydrophobicContact CB-CB 4.39Å; K25-C36 HydrophobicContact CD-CB 4.47Å; K25-R40 HydrophobicContact CG-CG 3.54Å; K25-R40 WeakPolarHBondContact O-CA 3.29Å; K25-K41 PolarHBondContact O-N 3.01Å |
| 26 | C | 92.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -8.8 | 178 | 64 | 0 | 0 | 0 | 0 | 114.1 | C23 E28 H31 C36 | C23-C26 VanDerWaalsContact SG-SG 3.69Å; C26-E28 HydrophobicContact CB-CG 4.47Å; C26-E28 PolarHBondContact O-N 3Å; C26-H31 PolarHBondContact SG-CE1 2.83Å; C26-H31 PolarHBondContact SG-NE2 3.21Å; C26-C36 VanDerWaalsContact SG-SG 3.68Å |
| 27 | L | 91.3 | Very high | 89.8 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | trans | 66.1 | 12.7 | -177.1 | -61.4 | 168.9 | 0 | 0 | 0 | 115.4 | R22 C23 | R22-L27 PolarHBondContact NE-O 3.25Å; R22-L27 PolarHBondContact NH2-O 3.18Å; C23-L27 WeakPolarHBondContact O-CA 3.2Å; C23-L27 PolarHBondContact O-N 2.95Å | ||
| 28 | E | 91 | Very high | 90.8 | Very high | 124 Ų | 124 | 82.6 Ų | 82.6 | 58% | 0.579 | 40% | 0.402 | S | S | * | . | trans | -90.2 | 160 | 175.2 | -62.3 | 171.8 | 167 | 0 | 0 | 111.8 | C23 C26 | C23-E28 WeakPolarHBondContact CB-O 3.42Å; C23-E28 PolarHBondContact N-O 3.11Å; C26-E28 HydrophobicContact CB-CG 4.47Å; C26-E28 PolarHBondContact O-N 3Å | ||
| 29 | F | 91.9 | Very high | 91.5 | Very high | 123 Ų | 123 | 89.4 Ų | 89.4 | 54% | 0.539 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 159.7 | 175.1 | -65.1 | -84.1 | 0 | 0 | 0 | 111.2 | H20 V21 R22 | H20-F29 WeakPolarHBondContact O-CD1 3.39Å; V21-F29 CarbonylContact O-C 3.59Å; V21-F29 VanDerWaalsContact O-CA 3.27Å; V21-F29 WeakPolarHBondContact O-CA 3.35Å; R22-F29 HydrophobicContact CB-CD1 3.89Å; R22-F29 HydrophobicContact CB-CE1 3.69Å; R22-F29 HydrophobicContact CB-CZ 4.33Å; R22-F29 HydrophobicContact CG-CD1 4.33Å; R22-F29 HydrophobicContact CG-CE1 4.09Å; R22-F29 HydrophobicContact CG-CZ 4.27Å |
| 30 | G | 92.6 | Very high | 92 | Very high | 27 Ų | 27 | 91 Ų | 91 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 111.6 | -11.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K18 V21 | K18-G30 CarbonylContact O-C 3.16Å; K18-G30 WeakPolarHBondContact O-CA 3.48Å; K18-G30 PolarHBondContact O-N 3.24Å; V21-G30 PolarHBondContact O-N 3.47Å; V21-G30 VanDerWaalsContact O-N 3.09Å |
| 31 | H | 93 | Very high | 92.4 | Very high | 36 Ų | 36 | 89.9 Ų | 89.9 | 17% | 0.167 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -153.4 | 151.8 | -176 | 63.8 | -83.1 | 0 | 0 | 0 | 113.4 | V21 C23 C26 E35 C36 | V21-H31 WeakPolarHBondContact CG1-O 3.42Å; C23-H31 VanDerWaalsContact CB-NE2 3.29Å; C23-H31 WeakPolarHBondContact CB-NE2 3.29Å; C23-H31 PolarHBondContact SG-NE2 3.34Å; C26-H31 PolarHBondContact SG-CE1 2.83Å; C26-H31 PolarHBondContact SG-NE2 3.21Å; H31-E35 HydrophobicContact CB-CB 4.46Å; H31-C36 WeakPolarHBondContact NE2-CB 3.33Å; H31-C36 PolarHBondContact NE2-SG 3.13Å |
| 32 | W | 92.3 | Very high | 92.4 | Very high | 90 Ų | 90 | 98.8 Ų | 98.8 | 34% | 0.341 | 46% | 0.458 | S | S | . | . | trans | -77.7 | 155.8 | 173.8 | -62.2 | 95.8 | 0 | 0 | 0 | 110.8 | V21 Y34 E35 C36 | V21-W32 HydrophobicContact CB-CH2 4.33Å; V21-W32 HydrophobicContact CB-CZ2 4.29Å; V21-W32 HydrophobicContact CB-CZ3 4.47Å; V21-W32 HydrophobicContact CG1-CD2 4.21Å; V21-W32 HydrophobicContact CG1-CG 4.43Å; V21-W32 HydrophobicContact CG2-CD2 3.98Å; V21-W32 HydrophobicContact CG2-CE3 3.62Å; V21-W32 HydrophobicContact CG2-CH2 3.84Å; V21-W32 HydrophobicContact CG2-CZ2 4.2Å; V21-W32 HydrophobicContact CG2-CZ3 3.54Å; W32-Y34 HydrophobicContact CB-CD1 3.47Å; W32-Y34 VanDerWaalsContact CB-CD1 3.47Å; W32-Y34 HydrophobicContact CB-CE1 3.08Å; W32-Y34 HydrophobicContact CB-CE2 4.34Å; W32-Y34 HydrophobicContact CB-CG 4.24Å; W32-Y34 AromaticContact CD1-CE1 3.96Å; W32-Y34 AromaticContact CD1-CZ 3.81Å; W32-Y34 VanDerWaalsContact CD1-OH 3.24Å; W32-Y34 HydrophobicContact CD2-CE1 4.25Å; W32-Y34 HydrophobicContact CG-CD1 4.31Å; W32-Y34 AromaticContact CG-CE1 3.47Å; W32-Y34 HydrophobicContact CG-CE1 3.47Å; W32-Y34 VanDerWaalsContact CG-CE1 3.47Å; W32-Y34 AromaticContact CG-CZ 3.79Å; W32-Y34 PolarHBondContact O-N 3.35Å; W32-Y34 VanDerWaalsContact O-N 3.1Å; W32-E35 PolarHBondContact O-N 2.68Å; W32-C36 PolarHBondContact O-N 2.95Å | ||
| 33 | T | 92.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 98 Ų | 98 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.2 | -177.2 | 49.4 | 0 | 0 | 0 | 0 | 114 | Q24 C36 | Q24-T33 HydrophobicContact CB-CG2 3.67Å; Q24-T33 VanDerWaalsContact N-CG2 3.3Å; T33-C36 WeakPolarHBondContact O-CB 3.49Å; T33-C36 PolarHBondContact O-N 3.45Å |
| 34 | Y | 93.6 | Very high | 92.2 | Very high | 164 Ų | 164 | 105.8 Ų | 105.8 | 64% | 0.643 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -27 | 176.9 | 63.1 | -99.4 | 0 | 0 | 0 | 113.6 | W32 | W32-Y34 HydrophobicContact CB-CD1 3.47Å; W32-Y34 VanDerWaalsContact CB-CD1 3.47Å; W32-Y34 HydrophobicContact CB-CE1 3.08Å; W32-Y34 HydrophobicContact CB-CE2 4.34Å; W32-Y34 HydrophobicContact CB-CG 4.24Å; W32-Y34 AromaticContact CD1-CE1 3.96Å; W32-Y34 AromaticContact CD1-CZ 3.81Å; W32-Y34 VanDerWaalsContact CD1-OH 3.24Å; W32-Y34 HydrophobicContact CD2-CE1 4.25Å; W32-Y34 HydrophobicContact CG-CD1 4.31Å; W32-Y34 AromaticContact CG-CE1 3.47Å; W32-Y34 HydrophobicContact CG-CE1 3.47Å; W32-Y34 VanDerWaalsContact CG-CE1 3.47Å; W32-Y34 AromaticContact CG-CZ 3.79Å; W32-Y34 PolarHBondContact O-N 3.35Å; W32-Y34 VanDerWaalsContact O-N 3.1Å |
| 35 | E | 93.2 | Very high | 92.1 | Very high | 87 Ų | 87 | 107.7 Ų | 107.7 | 41% | 0.407 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.5 | 175.5 | -83.2 | 161.2 | -172.3 | 0 | 0 | 112 | K18 H31 W32 T37 | K18-E35 IonicContact NZ-OE1 2.82Å; K18-E35 PolarHBondContact NZ-OE1 2.92Å; K18-E35 IonicContact NZ-OE2 2.83Å; K18-E35 PolarHBondContact NZ-OE2 3.36Å; H31-E35 HydrophobicContact CB-CB 4.46Å; W32-E35 PolarHBondContact O-N 2.68Å; E35-T37 PolarHBondContact O-N 3.18Å |
| 36 | C | 93.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 106.4 Ų | 106.4 | 10% | 0.095 | 50% | 0.5 | C | S | . | . | trans | -72.7 | 110.3 | -173.2 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | C23 K25 C26 H31 W32 T33 | C23-C36 VanDerWaalsContact SG-CB 3.55Å; C23-C36 PolarHBondContact SG-SG 3.37Å; K25-C36 HydrophobicContact CB-CB 4.39Å; K25-C36 HydrophobicContact CD-CB 4.47Å; C26-C36 VanDerWaalsContact SG-SG 3.68Å; H31-C36 WeakPolarHBondContact NE2-CB 3.33Å; H31-C36 PolarHBondContact NE2-SG 3.13Å; W32-C36 PolarHBondContact O-N 2.95Å; T33-C36 WeakPolarHBondContact O-CB 3.49Å; T33-C36 PolarHBondContact O-N 3.45Å | ||
| 37 | T | 94.2 | Very high | 92.2 | Very high | 147 Ų | 147 | 108.7 Ų | 108.7 | 90% | 0.902 | 52% | 0.516 | S | S | * | . | trans | -87 | -9 | 172.1 | 56.8 | 0 | 0 | 0 | 0 | 113 | E35 | E35-T37 PolarHBondContact O-N 3.18Š| ||
| 38 | G | 90.9 | Very high | 92.3 | Very high | 34 Ų | 34 | 115.5 Ų | 115.5 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -70.4 | 151.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 39 | K | 90.4 | Very high | 92.4 | Very high | 197 Ų | 197 | 114.1 Ų | 114.1 | 86% | 0.857 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -70 | 151.2 | 170.3 | -62.5 | 177 | -175.8 | 179.1 | 0 | 109.7 | K41 | K39-K41 PolarHBondContact O-N 3.16Š|
| 40 | R | 91.7 | Very high | 92.4 | Very high | 169 Ų | 169 | 111.1 Ų | 111.1 | 64% | 0.638 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 124.1 | 176.7 | -78.3 | 178.3 | 174.6 | 141.7 | -3 | 110.1 | K25 Y42 | K25-R40 HydrophobicContact CG-CG 3.54Å; K25-R40 WeakPolarHBondContact O-CA 3.29Å; R40-Y42 PolarHBondContact O-N 3.48Å |
| 41 | K | 91.9 | Very high | 92.5 | Very high | 133 Ų | 133 | 113.1 Ų | 113.1 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | trans | -81.4 | 108 | 174.1 | -175 | 172.4 | -177.9 | 172.7 | 0 | 108.5 | K25 K39 L43 | K25-K41 PolarHBondContact O-N 3.01Å; K39-K41 PolarHBondContact O-N 3.16Å; K41-L43 PolarHBondContact O-N 3.38Å | ||
| 42 | Y | 90.6 | Very high | 92.6 | Very high | 209 Ų | 209 | 116 Ų | 116 | 82% | 0.82 | 55% | 0.546 | S | S | * | . | trans | -74.3 | 110.9 | 170.6 | -74.3 | -82.6 | 0 | 0 | 0 | 109.1 | R40 | R40-Y42 PolarHBondContact O-N 3.48Š| ||
| 43 | L | 89.9 | Confident | 92.6 | Very high | 128 Ų | 128 | 117.9 Ų | 117.9 | 67% | 0.67 | 56% | 0.557 | S | S | * | * | trans | -92.1 | 118 | 166.8 | -162.4 | 93.6 | 0 | 0 | 0 | 107.6 | K41 R45 | K41-L43 PolarHBondContact O-N 3.38Å; L43-R45 PolarHBondContact O-N 2.89Å | ||
| 44 | H | 92.8 | Very high | 92.6 | Very high | 164 Ų | 164 | 119.3 Ų | 119.3 | 76% | 0.759 | 56% | 0.562 | S | S | * | * | trans | -66.8 | 121.4 | 172.5 | 175.6 | -88.4 | 0 | 0 | 0 | 109.4 | ||||
| 45 | R | 90.4 | Very high | 92.6 | Very high | 208 Ų | 208 | 117.5 Ų | 117.5 | 79% | 0.785 | 56% | 0.558 | S | S | * | * | trans | -107.5 | 121 | 174 | -168 | 167.7 | 176 | -144.5 | 0.1 | 108.7 | L43 | L43-R45 PolarHBondContact O-N 2.89Š| ||
| 46 | P | 93.6 | Very high | 92.5 | Very high | 54 Ų | 54 | 118.7 Ų | 118.7 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | trans | -60.7 | 148.6 | 177.6 | 26 | -32.7 | 0 | 0 | 0 | 110.2 | T50 E51 | P46-T50 WeakPolarHBondContact CB-OG1 3.27Å; P46-E51 HydrophobicContact CB-CG 4.21Å; P46-E51 HydrophobicContact CG-CG 3.89Å | ||
| 47 | S | 94 | Very high | 92.3 | Very high | 57 Ų | 57 | 123 Ų | 123 | 40% | 0.399 | 58% | 0.583 | S | S | . | * | trans | -64.7 | 150.9 | 173.4 | 69.8 | 0 | 0 | 0 | 0 | 110.7 | T49 T50 E51 | S47-T49 PolarHBondContact O-N 3.39Å; S47-T49 VanDerWaalsContact O-N 3.15Å; S47-T49 PolarHBondContact OG-OG1 2.93Å; S47-T49 VanDerWaalsContact OG-OG1 3.07Å; S47-T50 PolarHBondContact N-OG1 3.46Å; S47-T50 PolarHBondContact O-N 3.34Å; S47-T50 PolarHBondContact O-OG1 2.93Å; S47-T50 WeakPolarHBondContact OG-CB 3.03Å; S47-T50 VanDerWaalsContact OG-CG2 3.26Å; S47-T50 WeakPolarHBondContact OG-CG2 2.96Å; S47-T50 PolarHBondContact OG-N 3.49Å; S47-T50 PolarHBondContact OG-OG1 3.01Å; S47-E51 PolarHBondContact O-N 3.42Å | ||
| 48 | R | 93.6 | Very high | 92.1 | Very high | 197 Ų | 197 | 120.8 Ų | 120.8 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.2 | -35 | 177.4 | -172.7 | 178.9 | 174.7 | 131.6 | -2.3 | 112.4 | E51 M52 | R48-E51 PolarHBondContact O-N 3.47Å; R48-M52 HydrophobicContact CG-CE 4.48Å; R48-M52 WeakPolarHBondContact O-CG 3.5Å; R48-M52 PolarHBondContact O-N 3.1Å |
| 49 | T | 94.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 123.3 Ų | 123.3 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -39.8 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | S47 E51 M52 K53 | S47-T49 PolarHBondContact O-N 3.39Å; S47-T49 VanDerWaalsContact O-N 3.15Å; S47-T49 PolarHBondContact OG-OG1 2.93Å; S47-T49 VanDerWaalsContact OG-OG1 3.07Å; T49-E51 VanDerWaalsContact C-N 3.32Å; T49-E51 PolarHBondContact O-N 3.43Å; T49-M52 HydrophobicContact CG2-CE 4.25Å; T49-M52 PolarHBondContact O-N 3.26Å; T49-K53 WeakPolarHBondContact O-CB 3.39Å; T49-K53 PolarHBondContact O-N 2.83Å |
| 50 | T | 92.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 119.3 Ų | 119.3 | 36% | 0.362 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -38.3 | 172.5 | 51.5 | 0 | 0 | 0 | 0 | 112 | P46 S47 K53 N54 | P46-T50 WeakPolarHBondContact CB-OG1 3.27Å; S47-T50 PolarHBondContact N-OG1 3.46Å; S47-T50 PolarHBondContact O-N 3.34Å; S47-T50 PolarHBondContact O-OG1 2.93Å; S47-T50 WeakPolarHBondContact OG-CB 3.03Å; S47-T50 VanDerWaalsContact OG-CG2 3.26Å; S47-T50 WeakPolarHBondContact OG-CG2 2.96Å; S47-T50 PolarHBondContact OG-N 3.49Å; S47-T50 PolarHBondContact OG-OG1 3.01Å; T50-K53 PolarHBondContact O-N 3.32Å; T50-N54 WeakPolarHBondContact O-CB 3.44Å; T50-N54 PolarHBondContact O-N 3.31Å; T50-N54 PolarHBondContact O-ND2 3.34Å; T50-N54 PolarHBondContact O-OD1 2.8Å |
| 51 | E | 94.3 | Very high | 90.6 | Very high | 69 Ų | 69 | 116.4 Ų | 116.4 | 32% | 0.322 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 173.5 | -66.9 | -178.8 | 176.8 | 0 | 0 | 111.8 | P46 S47 R48 T49 K53 N54 K55 | P46-E51 HydrophobicContact CB-CG 4.21Å; P46-E51 HydrophobicContact CG-CG 3.89Å; S47-E51 PolarHBondContact O-N 3.42Å; R48-E51 PolarHBondContact O-N 3.47Å; T49-E51 VanDerWaalsContact C-N 3.32Å; T49-E51 PolarHBondContact O-N 3.43Å; E51-K53 VanDerWaalsContact C-N 3.35Å; E51-K53 PolarHBondContact O-N 3.4Å; E51-N54 PolarHBondContact O-N 3.08Å; E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 2.91Å |
| 52 | M | 94.4 | Very high | 89.6 | Confident | 97 Ų | 97 | 115.3 Ų | 115.3 | 48% | 0.478 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.4 | -75.2 | -169.9 | -62.5 | 0 | 0 | 112 | R48 T49 N54 K55 L56 | R48-M52 HydrophobicContact CG-CE 4.48Å; R48-M52 WeakPolarHBondContact O-CG 3.5Å; R48-M52 PolarHBondContact O-N 3.1Å; T49-M52 HydrophobicContact CG2-CE 4.25Å; T49-M52 PolarHBondContact O-N 3.26Å; M52-N54 VanDerWaalsContact C-N 3.34Å; M52-N54 PolarHBondContact O-N 3.09Å; M52-K55 PolarHBondContact O-N 3.48Å; M52-L56 WeakPolarHBondContact O-CG 3.49Å; M52-L56 PolarHBondContact O-N 2.82Å |
| 53 | K | 93.5 | Very high | 88.2 | Confident | 129 Ų | 129 | 111.6 Ų | 111.6 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 176.7 | -172.4 | 172.9 | -173.3 | 171.2 | 0 | 111.8 | T49 T50 E51 L56 K57 | T49-K53 WeakPolarHBondContact O-CB 3.39Å; T49-K53 PolarHBondContact O-N 2.83Å; T50-K53 PolarHBondContact O-N 3.32Å; E51-K53 VanDerWaalsContact C-N 3.35Å; E51-K53 PolarHBondContact O-N 3.4Å; K53-L56 PolarHBondContact O-N 3.34Å; K53-K57 HydrophobicContact CG-CD 4.47Å; K53-K57 VanDerWaalsContact O-CG 3.31Å; K53-K57 WeakPolarHBondContact O-CG 3.46Å; K53-K57 PolarHBondContact O-N 3.27Å |
| 54 | N | 91.6 | Very high | 86.7 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.2 | -69.8 | -14.3 | 0 | 0 | 0 | 111.5 | T50 E51 M52 K57 E58 | T50-N54 WeakPolarHBondContact O-CB 3.44Å; T50-N54 PolarHBondContact O-N 3.31Å; T50-N54 PolarHBondContact O-ND2 3.34Å; T50-N54 PolarHBondContact O-OD1 2.8Å; E51-N54 PolarHBondContact O-N 3.08Å; M52-N54 VanDerWaalsContact C-N 3.34Å; M52-N54 PolarHBondContact O-N 3.09Å; N54-K57 PolarHBondContact O-N 3.46Å; N54-E58 WeakPolarHBondContact O-CB 3.44Å; N54-E58 PolarHBondContact O-N 3.11Å |
| 55 | K | 93 | Very high | 85 | Confident | 125 Ų | 125 | 108.5 Ų | 108.5 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.8 | -70.1 | 175.3 | -177.7 | -177.9 | 0 | 112.2 | E51 M52 E58 N59 | E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 2.91Å; M52-K55 PolarHBondContact O-N 3.48Å; K55-E58 PolarHBondContact O-N 3.38Å; K55-N59 PolarHBondContact O-N 3.28Å; K55-N59 PolarHBondContact O-ND2 2.85Å |
| 56 | L | 92.1 | Very high | 83.4 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 177 | -70.8 | 176.1 | 0 | 0 | 0 | 111.8 | M52 K53 N59 Q60 | M52-L56 WeakPolarHBondContact O-CG 3.49Å; M52-L56 PolarHBondContact O-N 2.82Å; K53-L56 PolarHBondContact O-N 3.34Å; L56-N59 PolarHBondContact O-N 3.27Å; L56-Q60 WeakPolarHBondContact O-CG 3.44Å; L56-Q60 PolarHBondContact O-N 3.17Å |
| 57 | K | 89.9 | Confident | 81.5 | Confident | 103 Ų | 103 | 108.4 Ų | 108.4 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 174.5 | -72.3 | 175 | 176.1 | -174 | 0 | 112.6 | K53 N54 Q60 N61 | K53-K57 HydrophobicContact CG-CD 4.47Å; K53-K57 VanDerWaalsContact O-CG 3.31Å; K53-K57 WeakPolarHBondContact O-CG 3.46Å; K53-K57 PolarHBondContact O-N 3.27Å; N54-K57 PolarHBondContact O-N 3.46Å; K57-Q60 PolarHBondContact O-N 3.44Å; K57-N61 WeakPolarHBondContact O-CB 3.35Å; K57-N61 PolarHBondContact O-N 3.34Å |
| 58 | E | 89.6 | Confident | 78.9 | Confident | 101 Ų | 101 | 108.1 Ų | 108.1 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.7 | -172.9 | -174.7 | 163 | 0 | 0 | 111.4 | N54 K55 N61 K62 | N54-E58 WeakPolarHBondContact O-CB 3.44Å; N54-E58 PolarHBondContact O-N 3.11Å; K55-E58 PolarHBondContact O-N 3.38Å; E58-N61 PolarHBondContact O-N 3.25Å; E58-K62 HydrophobicContact CG-CD 4.41Å; E58-K62 WeakPolarHBondContact O-CB 3.36Å; E58-K62 WeakPolarHBondContact O-CG 3.42Å; E58-K62 PolarHBondContact O-N 3.39Å; E58-K62 WeakPolarHBondContact OE1-CE 3.32Å; E58-K62 IonicContact OE1-NZ 2.68Å; E58-K62 PolarHBondContact OE1-NZ 3.43Å |
| 59 | N | 83.9 | Confident | 76.7 | Confident | 88 Ų | 88 | 104.9 Ų | 104.9 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -41 | 175.4 | -75.4 | -62.7 | 0 | 0 | 0 | 112.2 | K55 L56 K62 Q63 | K55-N59 PolarHBondContact O-N 3.28Å; K55-N59 PolarHBondContact O-ND2 2.85Å; L56-N59 PolarHBondContact O-N 3.27Å; N59-K62 PolarHBondContact O-N 2.97Å; N59-Q63 WeakPolarHBondContact O-CB 3.48Å; N59-Q63 WeakPolarHBondContact O-CG 3.45Å; N59-Q63 PolarHBondContact O-N 2.91Å |
| 60 | Q | 82.8 | Confident | 74.3 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.7 | -46.6 | 173.5 | -72.8 | 172.3 | 2.2 | 0 | 0 | 111.6 | L56 K57 K62 Q63 V64 | L56-Q60 WeakPolarHBondContact O-CG 3.44Å; L56-Q60 PolarHBondContact O-N 3.17Å; K57-Q60 PolarHBondContact O-N 3.44Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 3.45Å; Q60-Q63 PolarHBondContact O-N 3.19Å; Q60-V64 VanDerWaalsContact O-CG2 3.28Å; Q60-V64 WeakPolarHBondContact O-CG2 3.24Å; Q60-V64 PolarHBondContact O-N 2.97Å |
| 61 | N | 73.8 | Confident | 71.8 | Confident | 107 Ų | 107 | 110.4 Ų | 110.4 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -37.9 | 176.7 | -81.3 | 6.2 | 0 | 0 | 0 | 112.4 | K57 E58 V64 N65 | K57-N61 WeakPolarHBondContact O-CB 3.35Å; K57-N61 PolarHBondContact O-N 3.34Å; E58-N61 PolarHBondContact O-N 3.25Å; N61-V64 PolarHBondContact O-N 3.44Å; N61-N65 WeakPolarHBondContact O-CB 3.31Å; N61-N65 PolarHBondContact O-N 3.06Å; N61-N65 PolarHBondContact O-OD1 3.32Å; N61-N65 VanDerWaalsContact O-OD1 3.11Å |
| 62 | K | 72.3 | Confident | 69.4 | Low | 111 Ų | 111 | 114.7 Ų | 114.7 | 48% | 0.483 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -39 | 173.5 | -75.1 | 176.3 | -174.5 | 176.4 | 0 | 111.9 | E58 N59 Q60 I66 | E58-K62 HydrophobicContact CG-CD 4.41Å; E58-K62 WeakPolarHBondContact O-CB 3.36Å; E58-K62 WeakPolarHBondContact O-CG 3.42Å; E58-K62 PolarHBondContact O-N 3.39Å; E58-K62 WeakPolarHBondContact OE1-CE 3.32Å; E58-K62 IonicContact OE1-NZ 2.68Å; E58-K62 PolarHBondContact OE1-NZ 3.43Å; N59-K62 PolarHBondContact O-N 2.97Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 3.45Å; K62-I66 VanDerWaalsContact O-CG1 3.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.43Å; K62-I66 PolarHBondContact O-N 3.35Å |
| 63 | Q | 60.3 | Low | 66.7 | Low | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.5 | -40.6 | 175.2 | -74 | 177.7 | -15.4 | 0 | 0 | 112.3 | N59 Q60 N65 I66 T67 | N59-Q63 WeakPolarHBondContact O-CB 3.48Å; N59-Q63 WeakPolarHBondContact O-CG 3.45Å; N59-Q63 PolarHBondContact O-N 2.91Å; Q60-Q63 PolarHBondContact O-N 3.19Å; Q63-N65 VanDerWaalsContact C-N 3.33Å; Q63-N65 PolarHBondContact O-N 3.41Å; Q63-I66 CarbonylContact O-C 3.54Å; Q63-I66 PolarHBondContact O-N 3.04Å; Q63-I66 VanDerWaalsContact O-N 3.13Å; Q63-T67 WeakPolarHBondContact O-CB 3.32Å; Q63-T67 PolarHBondContact O-N 3.37Å; Q63-T67 PolarHBondContact O-OG1 2.92Å |
| 64 | V | 58.9 | Low | 64.3 | Low | 90 Ų | 90 | 115.3 Ų | 115.3 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.7 | -36.8 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | Q60 N61 I66 T67 G68 | Q60-V64 VanDerWaalsContact O-CG2 3.28Å; Q60-V64 WeakPolarHBondContact O-CG2 3.24Å; Q60-V64 PolarHBondContact O-N 2.97Å; N61-V64 PolarHBondContact O-N 3.44Å; V64-I66 VanDerWaalsContact C-N 3.25Å; V64-I66 PolarHBondContact O-N 3.3Å; V64-T67 CarbonylContact O-C 3.42Å; V64-T67 PolarHBondContact O-N 2.82Å; V64-T67 VanDerWaalsContact O-N 3.16Å; V64-G68 PolarHBondContact O-N 3.39Å |
| 65 | N | 57.4 | Low | 61.8 | Low | 137 Ų | 137 | 117.5 Ų | 117.5 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.2 | -18.7 | 174.7 | -70.4 | 16.5 | 0 | 0 | 0 | 113.4 | N61 Q63 | N61-N65 WeakPolarHBondContact O-CB 3.31Å; N61-N65 PolarHBondContact O-N 3.06Å; N61-N65 PolarHBondContact O-OD1 3.32Å; N61-N65 VanDerWaalsContact O-OD1 3.11Å; Q63-N65 VanDerWaalsContact C-N 3.33Å; Q63-N65 PolarHBondContact O-N 3.41Å |
| 66 | I | 56.7 | Low | 59.4 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -91.7 | -18.7 | 171.5 | -65.3 | 169.3 | 0 | 0 | 0 | 110.9 | K62 Q63 V64 | K62-I66 VanDerWaalsContact O-CG1 3.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.43Å; K62-I66 PolarHBondContact O-N 3.35Å; Q63-I66 CarbonylContact O-C 3.54Å; Q63-I66 PolarHBondContact O-N 3.04Å; Q63-I66 VanDerWaalsContact O-N 3.13Å; V64-I66 VanDerWaalsContact C-N 3.25Å; V64-I66 PolarHBondContact O-N 3.3Å |
| 67 | T | 54.1 | Low | 57.2 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -135.5 | 38.1 | -169.9 | -48.1 | 0 | 0 | 0 | 0 | 114.5 | Q63 V64 | Q63-T67 WeakPolarHBondContact O-CB 3.32Å; Q63-T67 PolarHBondContact O-N 3.37Å; Q63-T67 PolarHBondContact O-OG1 2.92Å; V64-T67 CarbonylContact O-C 3.42Å; V64-T67 PolarHBondContact O-N 2.82Å; V64-T67 VanDerWaalsContact O-N 3.16Å |
| 68 | G | 39.4 | Very low | 55.2 | Low | 51 Ų | 51 | 125.8 Ų | 125.8 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | trans | 178.7 | 170.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | V64 | V64-G68 PolarHBondContact O-N 3.39Š| ||
| 69 | P | 45.9 | Very low | 53 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 70% | 0.7 | S | S | * | * | cis | -112.3 | 163.9 | -46 | 17.9 | 2.4 | 0 | 0 | 0 | 109.3 | K71 | P69-K71 PolarHBondContact O-N 3.14Š| ||
| 70 | G | 45 | Very low | 51.2 | Low | 81 Ų | 81 | 132.9 Ų | 132.9 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | -51.7 | 126.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 71 | K | 39 | Very low | 49.5 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | -122.9 | 100.6 | 152 | -118.3 | 179.3 | -179.1 | -178 | 0 | 108 | P69 | P69-K71 PolarHBondContact O-N 3.14Š| ||
| 72 | E | 43.1 | Very low | 48.2 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -6.8 | 122.9 | 156.3 | 61.6 | -136.4 | 98.9 | 0 | 0 | 118.4 | ||||
| 73 | S | 39.6 | Very low | 46.9 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -136.2 | 102.1 | 135.4 | 63.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 74 | S | 42.3 | Very low | 46.1 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -57.9 | 129.3 | 177.9 | -46.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 75 | N | 39 | Very low | 45.4 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -168.2 | 101 | 131.1 | -141.9 | -23.6 | 0 | 0 | 0 | 112.7 | ||||
| 76 | E | 42.9 | Very low | 44.4 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | 36.8 | 113.3 | 128.8 | -129.2 | 172.1 | 86 | 0 | 0 | 120.9 | |||||
| 77 | K | 46.3 | Very low | 43.8 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | 159.6 | 123.3 | 104.8 | -85.1 | 175.2 | -173.6 | 165.7 | 0 | 113.5 | |||||
| 78 | K | 46.1 | Very low | 43.2 | Very low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 39 | 128.5 | 140.1 | -64.7 | -177.8 | 173.8 | -179.4 | 0 | 118.1 | ||||
| 79 | T | 45 | Very low | 43.1 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | -172.3 | 139.6 | 78.8 | 30.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 80 | K | 46.4 | Very low | 42.6 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -14.6 | 137.7 | 160.9 | -71.4 | 171.9 | 169.7 | 173.7 | 0 | 120.2 | ||||
| 81 | K | 45.5 | Very low | 42.6 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | -179.3 | 122.1 | 106.2 | -106.3 | 174.3 | 176.4 | 172.2 | 0 | 112.8 | |||||
| 82 | K | 46.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | 63.1 | 128.8 | 118.5 | -77.1 | -170.2 | 177.8 | -174.9 | 0 | 115.5 | |||||
| 83 | R | 45 | Very low | 43.2 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | cis | -170.4 | 149.8 | 46 | -122.6 | 168.1 | 178.5 | -164.8 | -0.5 | 110.6 | ||||
| 84 | S | 43.6 | Very low | 43.7 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -101.1 | 143.3 | -179 | -35.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 85 | K | 44.4 | Very low | 44.2 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | 177.9 | 136.9 | 156.3 | -142.3 | 70.3 | -178.5 | 174.9 | 0 | 105.3 | ||||
| 86 | D | 36.5 | Very low | 44.7 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | cis | -157.4 | 167.8 | 18.2 | -157 | -100.3 | 0 | 0 | 0 | 108.7 | ||||
| 87 | A | 44.1 | Very low | 45.2 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | trans | -118.1 | 131.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | S | 41.2 | Very low | 45.4 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | 178.4 | 134.9 | 156.3 | 32.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 89 | G | 37.1 | Very low | 45.7 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | 179.2 | 172.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 90 | G | 37 | Very low | 46 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 86.2 | 112.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 91 | G | 43.3 | Very low | 46.4 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -84.8 | -175.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | G | 42.2 | Very low | 46.6 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 143 | 87.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 93 | S | 53.3 | Low | 47 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -55.6 | 133.9 | 167.9 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 94 | S | 51.2 | Low | 47.3 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -154.9 | 120.6 | 147.3 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 95 | S | 52 | Low | 47.7 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -67.5 | 134.1 | 172.3 | 46.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 96 | S | 49.3 | Very low | 48 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -147.1 | 111.7 | 153 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 97 | S | 53.5 | Low | 49.2 | Very low | 121 Ų | 121 | 111.6 Ų | 111.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -82.1 | 127.6 | 166.2 | 45.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 98 | S | 49.5 | Very low | 49.6 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -138.4 | 105 | 164.1 | 35.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 99 | S | 53.1 | Low | 50.2 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -92.2 | 118.1 | 166.5 | 42.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 100 | D | 50.8 | Low | 50.9 | Low | 142 Ų | 142 | 113.5 Ų | 113.5 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 111 | 170.4 | -66.7 | -61.8 | 0 | 0 | 0 | 108.1 | ||||
| 101 | S | 56.2 | Low | 51.5 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -115.1 | 110.6 | 171.9 | -65.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 102 | D | 50 | Low | 52.1 | Low | 137 Ų | 137 | 118 Ų | 118 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -149.2 | 118.6 | 169.5 | -84.2 | -60.8 | 0 | 0 | 0 | 109.4 | ||||
| 103 | S | 54.8 | Low | 52.8 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -167.4 | 102.4 | 133.6 | -82.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 104 | S | 51 | Low | 52.6 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -64 | 148.2 | 171.8 | -47.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 105 | S | 51.4 | Low | 52.9 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 39.4 | 134.4 | 134.4 | -42 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 106 | S | 50.8 | Low | 53.3 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | 180 | 146.4 | 61 | -48.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 107 | D | 60.5 | Low | 53.6 | Low | 153 Ų | 153 | 120.1 Ų | 120.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -57.3 | 145.4 | 159.7 | -97.5 | -81.2 | 0 | 0 | 0 | 112.8 | ||||
| 108 | S | 52.7 | Low | 53.6 | Low | 113 Ų | 113 | 119.4 Ų | 119.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 178.1 | 108.5 | 134.3 | -77.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | S | 54 | Low | 53.8 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 40.2 | 135.7 | 122.8 | -44.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 110 | S | 52.9 | Low | 53.9 | Low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 61.4 | 139.8 | 156.8 | 84.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 111 | D | 48.1 | Very low | 54 | Low | 140 Ų | 140 | 119.9 Ų | 119.9 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | cis | -146.8 | 148.5 | 48.8 | -93.9 | -90.9 | 0 | 0 | 0 | 113 | ||||
| 112 | S | 57.8 | Low | 53.8 | Low | 128 Ų | 128 | 122.2 Ų | 122.2 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -117.3 | 103.7 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 113 | S | 56.8 | Low | 54.1 | Low | 105 Ų | 105 | 120.8 Ų | 120.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -172.5 | 129.4 | 166.5 | 47.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 114 | D | 48.6 | Very low | 54.1 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -155.5 | 150.4 | 27.8 | -166.6 | -69.2 | 0 | 0 | 0 | 106.8 | ||||
| 115 | S | 57 | Low | 54.5 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -96 | 108 | -179.6 | -67.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 116 | S | 60 | Low | 54.7 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -153 | 91.4 | 160 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 117 | S | 55 | Low | 55 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -114.1 | 103.5 | 152.9 | 78.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 118 | S | 53.5 | Low | 54.6 | Low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -48.7 | 141.2 | 175 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 119 | S | 55.5 | Low | 54.7 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -50.8 | 134.7 | 162.9 | -44.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 120 | S | 54.3 | Low | 54.7 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -122.9 | 110 | 161.1 | -60.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 121 | D | 53.2 | Low | 54.8 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -62 | 125.3 | 168.2 | -85.6 | -92.7 | 0 | 0 | 0 | 110.6 | ||||
| 122 | D | 51.3 | Low | 54.9 | Low | 161 Ų | 161 | 121.7 Ų | 121.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -110.1 | 97.5 | 160.9 | -77.1 | -62.1 | 0 | 0 | 0 | 108 | ||||
| 123 | S | 57.8 | Low | 54.5 | Low | 106 Ų | 106 | 120.8 Ų | 120.8 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -88.2 | 108.9 | 170.1 | -66.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 124 | D | 54.6 | Low | 54.1 | Low | 141 Ų | 141 | 120.7 Ų | 120.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -104.3 | 102.2 | 168.2 | -156.7 | -64.6 | 0 | 0 | 0 | 109.6 | S126 | D124-S126 PolarHBondContact OD1-OG 3.48Å; D124-S126 VanDerWaalsContact OD1-OG 3.08Å | ||
| 125 | S | 58.5 | Low | 54.2 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -83.5 | 106.6 | 169.1 | -76 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 126 | S | 56.5 | Low | 53.9 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -109.4 | 97.1 | 168.1 | -70.8 | 0 | 0 | 0 | 0 | 109.4 | D124 | D124-S126 PolarHBondContact OD1-OG 3.48Å; D124-S126 VanDerWaalsContact OD1-OG 3.08Å | ||
| 127 | S | 56.2 | Low | 53.5 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -88.6 | 111.9 | 172.4 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 128 | D | 53.3 | Low | 53.2 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -123.3 | 104.2 | 166.7 | -118.2 | -56.6 | 0 | 0 | 0 | 109.3 | ||||
| 129 | S | 54.2 | Low | 53 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -101.3 | 109 | 178.1 | -65.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 130 | S | 54.3 | Low | 52.7 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -119.9 | 96.3 | 164.3 | 41.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 131 | S | 53.3 | Low | 52.7 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -99.8 | 114 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 132 | S | 50.7 | Low | 52.5 | Low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -129.9 | 111.2 | 162.2 | 39.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 133 | S | 50.7 | Low | 52.6 | Low | 109 Ų | 109 | 113.9 Ų | 113.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 70.6 | 121.6 | 142.8 | 51.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 134 | S | 48.6 | Very low | 52 | Low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | 91.6 | 94.7 | 129.6 | 50.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 135 | S | 50.6 | Low | 51.9 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 56.9 | 117.6 | 120.3 | 59.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 136 | S | 49.4 | Very low | 51.5 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 172.1 | 131.4 | 93.6 | 42.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 137 | S | 51 | Low | 51.2 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 43.3 | 138.9 | 142.6 | 56 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 138 | S | 49 | Very low | 50.6 | Low | 101 Ų | 101 | 117.3 Ų | 117.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | 178.1 | 157.6 | 8.6 | 36.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | S | 50.7 | Low | 50.1 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 65.1 | 115.1 | 151 | 61.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 140 | S | 49 | Very low | 49.9 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | -173.1 | 139.1 | 110 | 26.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 141 | S | 53.2 | Low | 49.8 | Very low | 123 Ų | 123 | 116 Ų | 116 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 146.7 | -169.9 | 15 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 142 | A | 49.7 | Very low | 49.9 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 130.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 143 | S | 53.5 | Low | 50.3 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 53.9 | 118.6 | 142.8 | -35.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 144 | D | 45.9 | Very low | 50.9 | Low | 147 Ų | 147 | 118.2 Ų | 118.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -157.3 | 134.1 | 118.8 | -164.9 | -123.3 | 0 | 0 | 0 | 113.3 | |||||
| 145 | S | 52.6 | Low | 51.8 | Low | 99 Ų | 99 | 119 Ų | 119 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | 7.4 | 130.4 | 154.8 | -47.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 146 | S | 48.3 | Very low | 52.5 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -157.9 | 140.4 | 143.1 | 27.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 147 | E | 50.2 | Low | 53.3 | Low | 203 Ų | 203 | 124.5 Ų | 124.5 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 155.7 | -171.9 | -53.7 | 170.3 | 118.9 | 0 | 0 | 112.1 | ||||
| 148 | G | 44.5 | Very low | 53.9 | Low | 76 Ų | 76 | 129.3 Ų | 129.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 170.8 | 87.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 149 | S | 43.5 | Very low | 54.5 | Low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 29.3 | 122.3 | 143.6 | -62.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 150 | D | 49.1 | Very low | 55 | Low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | 46.5 | 111.9 | 116.9 | -157.5 | -93.4 | 0 | 0 | 0 | 119.6 | |||||
| 151 | S | 51.8 | Low | 55.5 | Low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | trans | -173.4 | 109.2 | 130.9 | -84.9 | 0 | 0 | 0 | 0 | 111.8 | Q153 | S151-Q153 PolarHBondContact O-N 2.98Š| ||
| 152 | D | 56.1 | Low | 55.5 | Low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -57.3 | 120.9 | 163 | -174 | -87.3 | 0 | 0 | 0 | 110.9 | ||||
| 153 | Q | 58 | Low | 55.8 | Low | 178 Ų | 178 | 153.8 Ų | 153.8 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -132.8 | 88.9 | 167.6 | -96.4 | 158.1 | 64.2 | 0 | 0 | 109.2 | S151 | S151-Q153 PolarHBondContact O-N 2.98Š| ||
| 154 | G | 63.3 | Low | 55.9 | Low | 53 Ų | 53 | 155.6 Ų | 155.6 | 55% | 0.546 | 84% | 0.836 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 169.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 155 | P | 68.1 | Low | 56.5 | Low | 119 Ų | 119 | 156.1 Ų | 156.1 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.3 | -170 | 27.1 | -33.7 | 0 | 0 | 0 | 113.4 | K157 | P155-K157 PolarHBondContact O-N 3.17Š|
| 156 | P | 65.5 | Low | 56.7 | Low | 126 Ų | 126 | 159.5 Ų | 159.5 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.5 | -171.4 | 26.9 | -34.3 | 0 | 0 | 0 | 113 | K158 | P156-K158 PolarHBondContact O-N 3.45Š|
| 157 | K | 66.4 | Low | 57.3 | Low | 204 Ų | 204 | 161.6 Ų | 161.6 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124.6 | 172.4 | -68.4 | -177.3 | 178.3 | 178 | 0 | 110.7 | P155 K159 | P155-K157 PolarHBondContact O-N 3.17Å; K157-K159 PolarHBondContact O-N 2.74Å |
| 158 | K | 63.1 | Low | 57.7 | Low | 208 Ų | 208 | 158.9 Ų | 158.9 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 122.8 | 172.4 | -65.6 | -178.1 | 178 | 179.5 | 0 | 110.3 | P156 | P156-K158 PolarHBondContact O-N 3.45Š|
| 159 | K | 63.1 | Low | 58.7 | Low | 217 Ų | 217 | 164.8 Ų | 164.8 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 124.7 | 170.2 | -71.4 | -174.2 | 175.6 | -178 | 0 | 109.8 | K157 | K157-K159 PolarHBondContact O-N 2.74Š|
| 160 | K | 60 | Low | 59.8 | Low | 210 Ų | 210 | 168.3 Ų | 168.3 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 120.5 | 171.9 | -162.6 | 179.2 | -177.8 | -177.4 | 0 | 108 | ||
| 161 | K | 59.6 | Low | 60.7 | Low | 207 Ų | 207 | 170.1 Ų | 170.1 | 90% | 0.9 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 131.5 | 175.7 | -157.8 | 176.6 | -179.7 | -176 | 0 | 108.4 | ||
| 162 | K | 54 | Low | 61.6 | Low | 271 Ų | 271 | 176.8 Ų | 176.8 | 100% | 1.178 | 86% | 0.864 | S | S | * | * | trans | -111.5 | 0 | 166 | -173.1 | 170 | 173.1 | -179.2 | 0 | 107.5 |
Retrieved 162 of 162 residues in 259.2 ms
(Link to these results)