| 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 | 66.2 | Low | 88.5 | Confident | 219 Ų | 219 | 93.1 Ų | 93.1 | 100% | 1.079 | 47% | 0.468 | S | S | * | . | 0 | 114.4 | 0 | -154.8 | 83.9 | 123.4 | 0 | 0 | 107.4 | K3 | M1-K3 PolarHBondContact O-N 2.8Š| |||
| 2 | P | 71.8 | Confident | 88.8 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 73% | 0.727 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 129.2 | 178.8 | -16.1 | 29.2 | 0 | 0 | 0 | 109.2 | ||
| 3 | K | 83.2 | Confident | 89 | Confident | 137 Ų | 137 | 92.2 Ų | 92.2 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 137.3 | 173.5 | -66.7 | -178.2 | -179.5 | 177.9 | 0 | 108 | M1 Y5 Y12 | M1-K3 PolarHBondContact O-N 2.8Å; K3-Y5 PolarHBondContact O-N 2.94Å; K3-Y12 HydrophobicContact CB-CD1 4.37Å |
| 4 | Y | 89.7 | Confident | 88.9 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 28% | 0.275 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 126.6 | 177.2 | 175.2 | -99.9 | 0 | 0 | 0 | 110.2 | C6 L13 D16 R21 | Y4-C6 HydrophobicContact CE1-CB 4.05Å; Y4-L13 HydrophobicContact CD1-CB 4.16Å; Y4-L13 HydrophobicContact CD1-CD2 4.03Å; Y4-L13 WeakPolarHBondContact O-CB 3.49Å; Y4-L13 PolarHBondContact O-N 3.38Å; Y4-D16 VanDerWaalsContact CB-OD1 3.32Å; Y4-D16 WeakPolarHBondContact CB-OD1 3.33Å; Y4-R21 HydrophobicContact CD1-CG 3.92Å; Y4-R21 VanDerWaalsContact CD2-CD 3.48Å; Y4-R21 HydrophobicContact CD2-CG 4.27Å; Y4-R21 HydrophobicContact CE1-CG 4.25Å; Y4-R21 HydrophobicContact CG-CG 3.92Å |
| 5 | Y | 93.6 | Very high | 88.7 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 29% | 0.29 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136.5 | 171.7 | -176 | -104.8 | 0 | 0 | 0 | 109 | K3 D7 D10 T11 Y12 | K3-Y5 PolarHBondContact O-N 2.94Å; Y5-D7 VanDerWaalsContact CD1-OD1 3.32Å; Y5-D7 WeakPolarHBondContact CD1-OD1 3.09Å; Y5-D7 WeakPolarHBondContact CE1-OD1 3.45Å; Y5-D10 VanDerWaalsContact OH-CA 3.25Å; Y5-D10 WeakPolarHBondContact OH-CA 3.23Å; Y5-D10 PolarHBondContact OH-OD1 3.26Å; Y5-T11 WeakPolarHBondContact CD2-O 3.48Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 AromaticContact CD2-CD2 3.87Å; Y5-Y12 HydrophobicContact CD2-CD2 3.87Å; Y5-Y12 AromaticContact CD2-CE1 3.58Å; Y5-Y12 HydrophobicContact CD2-CE1 3.58Å; Y5-Y12 AromaticContact CD2-CE2 3.68Å; Y5-Y12 HydrophobicContact CD2-CE2 3.68Å; Y5-Y12 AromaticContact CD2-CG 3.9Å; Y5-Y12 HydrophobicContact CD2-CG 3.9Å; Y5-Y12 AromaticContact CD2-CZ 3.54Å; Y5-Y12 HydrophobicContact CE2-CD2 4.21Å; Y5-Y12 AromaticContact CE2-CE2 3.87Å; Y5-Y12 HydrophobicContact CE2-CE2 3.87Å; Y5-Y12 HydrophobicContact CG-CD1 4.33Å; Y5-Y12 HydrophobicContact CG-CE1 4.04Å |
| 6 | C | 94.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 93.6 Ų | 93.6 | 1% | 0.014 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.2 | 171.4 | -179 | 0 | 0 | 0 | 0 | 110.1 | Y4 Y8 C9 D10 T11 H24 H30 | Y4-C6 HydrophobicContact CE1-CB 4.05Å; C6-Y8 VanDerWaalsContact C-N 3.27Å; C6-Y8 PolarHBondContact O-N 3.29Å; C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 2.88Å; C6-C9 VanDerWaalsContact O-N 3.14Å; C6-D10 PolarHBondContact O-N 2.76Å; C6-T11 PolarHBondContact N-O 3.01Å; C6-H24 WeakPolarHBondContact CB-NE2 3.32Å; C6-H24 PolarHBondContact SG-NE2 3.23Å; C6-H30 PolarHBondContact SG-CE1 2.87Å; C6-H30 PolarHBondContact SG-ND1 2.85Å |
| 7 | D | 95.3 | Very high | 88.5 | Confident | 120 Ų | 120 | 90.4 Ų | 90.4 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.1 | -178.2 | -55 | -61.7 | 0 | 0 | 0 | 113.5 | Y5 | Y5-D7 VanDerWaalsContact CD1-OD1 3.32Å; Y5-D7 WeakPolarHBondContact CD1-OD1 3.09Å; Y5-D7 WeakPolarHBondContact CE1-OD1 3.45Å |
| 8 | Y | 96.1 | Very high | 88.6 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23.2 | 177.5 | -59.3 | -69.6 | 0 | 0 | 0 | 113.1 | C6 H30 N33 V34 Y37 | C6-Y8 VanDerWaalsContact C-N 3.27Å; C6-Y8 PolarHBondContact O-N 3.29Å; Y8-H30 AromaticContact CD2-CE1 3.69Å; Y8-N33 WeakPolarHBondContact O-CB 3.41Å; Y8-N33 PolarHBondContact O-ND2 3.11Å; Y8-V34 HydrophobicContact CD1-CG2 3.89Å; Y8-V34 HydrophobicContact CD2-CG2 3.6Å; Y8-V34 HydrophobicContact CE1-CG2 4.27Å; Y8-V34 HydrophobicContact CE2-CG2 4Å; Y8-V34 HydrophobicContact CG-CG2 3.52Å; Y8-Y37 HydrophobicContact CD1-CD1 4.32Å; Y8-Y37 HydrophobicContact CD1-CG 4.06Å; Y8-Y37 AromaticContact CE1-CD1 3.76Å; Y8-Y37 HydrophobicContact CE1-CD1 3.76Å; Y8-Y37 HydrophobicContact CE1-CE1 4.2Å; Y8-Y37 AromaticContact CE1-CG 3.96Å; Y8-Y37 HydrophobicContact CE1-CG 3.96Å |
| 9 | C | 95.1 | Very high | 88.7 | Confident | 27 Ų | 27 | 90.2 Ų | 90.2 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -3.1 | -173.7 | -64.4 | 0 | 0 | 0 | 0 | 113 | C6 T11 | C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 2.88Å; C6-C9 VanDerWaalsContact O-N 3.14Å; C9-T11 HydrophobicContact CB-CG2 3.58Å; C9-T11 PolarHBondContact O-N 3.38Å; C9-T11 VanDerWaalsContact O-N 3.13Å |
| 10 | D | 94.6 | Very high | 88.9 | Confident | 123 Ų | 123 | 88.1 Ų | 88.1 | 66% | 0.658 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.8 | 43.4 | -171 | -68.1 | -42.8 | 0 | 0 | 0 | 113.8 | Y5 C6 | Y5-D10 VanDerWaalsContact OH-CA 3.25Å; Y5-D10 WeakPolarHBondContact OH-CA 3.23Å; Y5-D10 PolarHBondContact OH-OD1 3.26Å; C6-D10 PolarHBondContact O-N 2.76Å |
| 11 | T | 93.2 | Very high | 89.1 | Confident | 60 Ų | 60 | 88 Ų | 88 | 37% | 0.368 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143.3 | -171.6 | -162.6 | 0 | 0 | 0 | 0 | 113 | Y5 C6 C9 | Y5-T11 WeakPolarHBondContact CD2-O 3.48Å; C6-T11 PolarHBondContact N-O 3.01Å; C9-T11 HydrophobicContact CB-CG2 3.58Å; C9-T11 PolarHBondContact O-N 3.38Å; C9-T11 VanDerWaalsContact O-N 3.13Å |
| 12 | Y | 92.7 | Very high | 90.4 | Very high | 153 Ų | 153 | 85.5 Ų | 85.5 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129 | 172.4 | -69.9 | -82.8 | 0 | 0 | 0 | 110.6 | K3 Y5 | K3-Y12 HydrophobicContact CB-CD1 4.37Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 AromaticContact CD2-CD2 3.87Å; Y5-Y12 HydrophobicContact CD2-CD2 3.87Å; Y5-Y12 AromaticContact CD2-CE1 3.58Å; Y5-Y12 HydrophobicContact CD2-CE1 3.58Å; Y5-Y12 AromaticContact CD2-CE2 3.68Å; Y5-Y12 HydrophobicContact CD2-CE2 3.68Å; Y5-Y12 AromaticContact CD2-CG 3.9Å; Y5-Y12 HydrophobicContact CD2-CG 3.9Å; Y5-Y12 AromaticContact CD2-CZ 3.54Å; Y5-Y12 HydrophobicContact CE2-CD2 4.21Å; Y5-Y12 AromaticContact CE2-CE2 3.87Å; Y5-Y12 HydrophobicContact CE2-CE2 3.87Å; Y5-Y12 HydrophobicContact CG-CD1 4.33Å; Y5-Y12 HydrophobicContact CG-CE1 4.04Å |
| 13 | L | 90.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 85.2 Ų | 85.2 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | trans | -76.8 | 131.6 | 174.8 | -163.2 | 57.7 | 0 | 0 | 0 | 110.4 | Y4 H15 V20 R21 H24 | Y4-L13 HydrophobicContact CD1-CB 4.16Å; Y4-L13 HydrophobicContact CD1-CD2 4.03Å; Y4-L13 WeakPolarHBondContact O-CB 3.49Å; Y4-L13 PolarHBondContact O-N 3.38Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 WeakPolarHBondContact CD2-O 3.34Å; L13-H15 PolarHBondContact O-N 2.73Å; L13-V20 HydrophobicContact CD1-CG1 3.6Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.55Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; L13-R21 HydrophobicContact CD2-CG 3.83Å; L13-H24 HydrophobicContact CD1-CB 4.43Å | ||
| 14 | T | 88.1 | Confident | 92.1 | Very high | 102 Ų | 102 | 80.6 Ų | 80.6 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -64.5 | -35.8 | -177 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 15 | H | 85.3 | Confident | 92.2 | Very high | 129 Ų | 129 | 79.6 Ų | 79.6 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -128.9 | 116.3 | 178.4 | -63.5 | -71.5 | 0 | 0 | 0 | 110.4 | L13 S17 V20 | L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 WeakPolarHBondContact CD2-O 3.34Å; L13-H15 PolarHBondContact O-N 2.73Å; H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact O-N 2.9Å; H15-V20 HydrophobicContact CB-CG2 4.4Å |
| 16 | D | 84.6 | Confident | 92.3 | Very high | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -82.9 | 71.5 | 175.9 | -169.4 | 26.7 | 0 | 0 | 0 | 111.6 | Y4 R21 | Y4-D16 VanDerWaalsContact CB-OD1 3.32Å; Y4-D16 WeakPolarHBondContact CB-OD1 3.33Å; D16-R21 VanDerWaalsContact OD1-CD 3.25Å; D16-R21 WeakPolarHBondContact OD1-CD 3.22Å; D16-R21 IonicContact OD1-CZ 3.1Å; D16-R21 IonicContact OD1-NE 3.35Å; D16-R21 PolarHBondContact OD1-NE 3.35Å; D16-R21 IonicContact OD1-NH1 2.6Å; D16-R21 PolarHBondContact OD1-NH1 3.42Å; D16-R21 IonicContact OD2-CZ 3.91Å; D16-R21 IonicContact OD2-NH1 2.89Å; D16-R21 PolarHBondContact OD2-NH1 3.3Å | ||
| 17 | S | 89.6 | Confident | 92.4 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 28% | 0.28 | 43% | 0.434 | S | S | . | . | trans | -110.5 | 149.6 | 170.4 | 82.5 | 0 | 0 | 0 | 0 | 110.4 | H15 S19 V20 R21 | H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact O-N 2.9Å; S17-S19 PolarHBondContact O-N 3.4Å; S17-V20 PolarHBondContact O-N 3.41Å; S17-V20 VanDerWaalsContact O-N 3.1Å; S17-V20 WeakPolarHBondContact OG-CB 3.33Å; S17-V20 WeakPolarHBondContact OG-CG2 3.37Å; S17-V20 PolarHBondContact OG-N 3.05Å; S17-R21 PolarHBondContact O-N 2.94Å | ||
| 18 | P | 90 | Very high | 92.5 | Very high | 93 Ų | 93 | 82.8 Ų | 82.8 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.8 | -34.6 | 179.7 | 22.5 | -33 | 0 | 0 | 0 | 112.4 | K22 | P18-K22 WeakPolarHBondContact O-CB 3.29Å; P18-K22 PolarHBondContact O-N 3.47Å |
| 19 | S | 91.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 84.8 Ų | 84.8 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.5 | -41.6 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | S17 K22 T23 | S17-S19 PolarHBondContact O-N 3.4Å; S19-K22 PolarHBondContact O-N 3.31Å; S19-T23 WeakPolarHBondContact O-CB 3.49Å; S19-T23 PolarHBondContact O-N 3.33Å; S19-T23 PolarHBondContact O-OG1 3.16Å |
| 20 | V | 92.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 84.5 Ų | 84.5 | 29% | 0.291 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | L13 H15 S17 K22 T23 H24 | L13-V20 HydrophobicContact CD1-CG1 3.6Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.55Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; H15-V20 HydrophobicContact CB-CG2 4.4Å; S17-V20 PolarHBondContact O-N 3.41Å; S17-V20 VanDerWaalsContact O-N 3.1Å; S17-V20 WeakPolarHBondContact OG-CB 3.33Å; S17-V20 WeakPolarHBondContact OG-CG2 3.37Å; S17-V20 PolarHBondContact OG-N 3.05Å; V20-K22 PolarHBondContact O-N 2.82Å; V20-T23 PolarHBondContact O-N 2.84Å; V20-H24 WeakPolarHBondContact O-CB 3.39Å; V20-H24 PolarHBondContact O-N 3.37Å |
| 21 | R | 93.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 172.8 | -73.7 | -168.5 | -70.1 | -132.9 | 1 | 112 | Y4 L13 D16 S17 T23 H24 C25 | Y4-R21 HydrophobicContact CD1-CG 3.92Å; Y4-R21 VanDerWaalsContact CD2-CD 3.48Å; Y4-R21 HydrophobicContact CD2-CG 4.27Å; Y4-R21 HydrophobicContact CE1-CG 4.25Å; Y4-R21 HydrophobicContact CG-CG 3.92Å; L13-R21 HydrophobicContact CD2-CG 3.83Å; D16-R21 VanDerWaalsContact OD1-CD 3.25Å; D16-R21 WeakPolarHBondContact OD1-CD 3.22Å; D16-R21 IonicContact OD1-CZ 3.1Å; D16-R21 IonicContact OD1-NE 3.35Å; D16-R21 PolarHBondContact OD1-NE 3.35Å; D16-R21 IonicContact OD1-NH1 2.6Å; D16-R21 PolarHBondContact OD1-NH1 3.42Å; D16-R21 IonicContact OD2-CZ 3.91Å; D16-R21 IonicContact OD2-NH1 2.89Å; D16-R21 PolarHBondContact OD2-NH1 3.3Å; S17-R21 PolarHBondContact O-N 2.94Å; R21-T23 VanDerWaalsContact C-N 3.32Å; R21-T23 PolarHBondContact O-N 2.84Å; R21-H24 WeakPolarHBondContact O-CB 3.44Å; R21-H24 PolarHBondContact O-N 2.91Å; R21-C25 PolarHBondContact O-N 2.87Å; R21-C25 PolarHBondContact O-SG 3.26Å; R21-C25 VanDerWaalsContact O-SG 3.39Å |
| 22 | K | 93.3 | Very high | 92.8 | Very high | 168 Ų | 168 | 85.3 Ų | 85.3 | 73% | 0.73 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.3 | -40.3 | 177.3 | -174.2 | 176.6 | -70.5 | -175.5 | 0 | 112.1 | P18 S19 V20 G26 | P18-K22 WeakPolarHBondContact O-CB 3.29Å; P18-K22 PolarHBondContact O-N 3.47Å; S19-K22 PolarHBondContact O-N 3.31Å; V20-K22 PolarHBondContact O-N 2.82Å; K22-G26 PolarHBondContact O-N 3.45Å |
| 23 | T | 95.1 | Very high | 93.1 | Very high | 106 Ų | 106 | 80.6 Ų | 80.6 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | S19 V20 R21 G26 G27 | S19-T23 WeakPolarHBondContact O-CB 3.49Å; S19-T23 PolarHBondContact O-N 3.33Å; S19-T23 PolarHBondContact O-OG1 3.16Å; V20-T23 PolarHBondContact O-N 2.84Å; R21-T23 VanDerWaalsContact C-N 3.32Å; R21-T23 PolarHBondContact O-N 2.84Å; T23-G26 PolarHBondContact O-N 2.91Å; T23-G27 PolarHBondContact O-N 2.9Å |
| 24 | H | 95 | Very high | 93.3 | Very high | 40 Ų | 40 | 81.2 Ų | 81.2 | 19% | 0.185 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.7 | -54 | 175.2 | 176.8 | 83.2 | 0 | 0 | 0 | 111.5 | C6 L13 V20 R21 G26 G27 H30 | C6-H24 WeakPolarHBondContact CB-NE2 3.32Å; C6-H24 PolarHBondContact SG-NE2 3.23Å; L13-H24 HydrophobicContact CD1-CB 4.43Å; V20-H24 WeakPolarHBondContact O-CB 3.39Å; V20-H24 PolarHBondContact O-N 3.37Å; R21-H24 WeakPolarHBondContact O-CB 3.44Å; R21-H24 PolarHBondContact O-N 2.91Å; H24-G26 VanDerWaalsContact C-N 3.27Å; H24-G26 PolarHBondContact O-N 3.12Å; H24-G27 PolarHBondContact O-N 3.21Å; H24-H30 AromaticContact CD2-ND1 3.86Å; H24-H30 AromaticContact NE2-ND1 3.57Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.42Å |
| 25 | C | 93.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 83.4 Ų | 83.4 | 32% | 0.324 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -31.3 | 179.1 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | R21 G27 H30 | R21-C25 PolarHBondContact O-N 2.87Å; R21-C25 PolarHBondContact O-SG 3.26Å; R21-C25 VanDerWaalsContact O-SG 3.39Å; C25-G27 VanDerWaalsContact C-N 3.3Å; C25-H30 VanDerWaalsContact CA-CD2 3.49Å; C25-H30 WeakPolarHBondContact CA-CD2 3.28Å; C25-H30 PolarHBondContact O-CD2 3.39Å; C25-H30 VanDerWaalsContact O-CD2 3.22Å |
| 26 | G | 95.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 81.6 Ų | 81.6 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -76.9 | -15.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K22 T23 H24 K31 | K22-G26 PolarHBondContact O-N 3.45Å; T23-G26 PolarHBondContact O-N 2.91Å; H24-G26 VanDerWaalsContact C-N 3.27Å; H24-G26 PolarHBondContact O-N 3.12Å; G26-K31 VanDerWaalsContact O-CE 3.29Å; G26-K31 WeakPolarHBondContact O-CE 3.46Å; G26-K31 PolarHBondContact O-NZ 3.21Å; G26-K31 VanDerWaalsContact O-NZ 3.07Å |
| 27 | G | 95.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 84.3 Ų | 84.3 | 27% | 0.268 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -66.2 | 154 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T23 H24 C25 H30 K31 | T23-G27 PolarHBondContact O-N 2.9Å; H24-G27 PolarHBondContact O-N 3.21Å; C25-G27 VanDerWaalsContact C-N 3.3Å; G27-H30 PolarHBondContact O-N 3.08Å; G27-K31 WeakPolarHBondContact O-CG 3.4Å; G27-K31 PolarHBondContact O-N 3.35Å |
| 28 | R | 96.8 | Very high | 95.2 | Very high | 197 Ų | 197 | 88.1 Ų | 88.1 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.3 | -49.1 | -179.5 | -178.3 | 174.7 | 178.9 | 177.4 | 1.5 | 112.1 | H30 K31 D32 | R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 2.96Å; R28-K31 PolarHBondContact O-N 3.48Å; R28-K31 VanDerWaalsContact O-N 3.13Å; R28-D32 WeakPolarHBondContact CG-OD2 3.5Å; R28-D32 IonicContact NE-OD2 3.62Å; R28-D32 PolarHBondContact O-N 3.41Å |
| 29 | N | 95.7 | Very high | 95.4 | Very high | 121 Ų | 121 | 88.5 Ų | 88.5 | 65% | 0.647 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.8 | -43.5 | -178.8 | -64.3 | 7.9 | 0 | 0 | 0 | 112.3 | K31 D32 N33 | N29-K31 PolarHBondContact O-N 3.39Å; N29-D32 PolarHBondContact O-N 3.11Å; N29-N33 WeakPolarHBondContact O-CB 3.45Å; N29-N33 PolarHBondContact O-N 3.45Å; N29-N33 PolarHBondContact O-OD1 2.97Å |
| 30 | H | 97.4 | Very high | 95.5 | Very high | 22 Ų | 22 | 89.4 Ų | 89.4 | 10% | 0.102 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.6 | -179.1 | 87.3 | 0 | 0 | 0 | 111.7 | C6 Y8 H24 C25 G27 R28 D32 N33 V34 | C6-H30 PolarHBondContact SG-CE1 2.87Å; C6-H30 PolarHBondContact SG-ND1 2.85Å; Y8-H30 AromaticContact CD2-CE1 3.69Å; H24-H30 AromaticContact CD2-ND1 3.86Å; H24-H30 AromaticContact NE2-ND1 3.57Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.42Å; C25-H30 VanDerWaalsContact CA-CD2 3.49Å; C25-H30 WeakPolarHBondContact CA-CD2 3.28Å; C25-H30 PolarHBondContact O-CD2 3.39Å; C25-H30 VanDerWaalsContact O-CD2 3.22Å; G27-H30 PolarHBondContact O-N 3.08Å; R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 2.96Å; H30-D32 PolarHBondContact O-N 2.86Å; H30-N33 PolarHBondContact O-N 3.32Å; H30-V34 WeakPolarHBondContact O-CB 3.42Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.28Å |
| 31 | K | 96.6 | Very high | 95.6 | Very high | 122 Ų | 122 | 93 Ų | 93 | 53% | 0.53 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.2 | -70.2 | 173.8 | 178.8 | 166.7 | 0 | 112.6 | G26 G27 R28 N29 V34 K35 | G26-K31 VanDerWaalsContact O-CE 3.29Å; G26-K31 WeakPolarHBondContact O-CE 3.46Å; G26-K31 PolarHBondContact O-NZ 3.21Å; G26-K31 VanDerWaalsContact O-NZ 3.07Å; G27-K31 WeakPolarHBondContact O-CG 3.4Å; G27-K31 PolarHBondContact O-N 3.35Å; R28-K31 PolarHBondContact O-N 3.48Å; R28-K31 VanDerWaalsContact O-N 3.13Å; N29-K31 PolarHBondContact O-N 3.39Å; K31-V34 PolarHBondContact O-N 3.11Å; K31-K35 WeakPolarHBondContact O-CB 3.49Å; K31-K35 PolarHBondContact O-N 2.92Å |
| 32 | D | 97.2 | Very high | 95.7 | Very high | 78 Ų | 78 | 93.9 Ų | 93.9 | 42% | 0.417 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 179 | -69.1 | -17.9 | 0 | 0 | 0 | 110.3 | R28 N29 H30 K35 E36 | R28-D32 WeakPolarHBondContact CG-OD2 3.5Å; R28-D32 IonicContact NE-OD2 3.62Å; R28-D32 PolarHBondContact O-N 3.41Å; N29-D32 PolarHBondContact O-N 3.11Å; H30-D32 PolarHBondContact O-N 2.86Å; D32-K35 WeakPolarHBondContact O-CB 3.44Å; D32-K35 PolarHBondContact O-N 3.37Å; D32-E36 PolarHBondContact O-N 3.19Å |
| 33 | N | 97 | Very high | 95.8 | Very high | 53 Ų | 53 | 91.2 Ų | 91.2 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.4 | -68.7 | 8.8 | 0 | 0 | 0 | 113 | Y8 N29 H30 K35 E36 Y37 | Y8-N33 WeakPolarHBondContact O-CB 3.41Å; Y8-N33 PolarHBondContact O-ND2 3.11Å; N29-N33 WeakPolarHBondContact O-CB 3.45Å; N29-N33 PolarHBondContact O-N 3.45Å; N29-N33 PolarHBondContact O-OD1 2.97Å; H30-N33 PolarHBondContact O-N 3.32Å; N33-K35 VanDerWaalsContact C-N 3.29Å; N33-K35 PolarHBondContact O-N 3.45Å; N33-E36 PolarHBondContact O-N 3.5Å; N33-Y37 WeakPolarHBondContact O-CB 3.38Å; N33-Y37 PolarHBondContact O-N 2.83Å |
| 34 | V | 97 | Very high | 95.7 | Very high | 35 Ų | 35 | 91 Ų | 91 | 21% | 0.212 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.8 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | Y8 H30 K31 Y37 Y38 | Y8-V34 HydrophobicContact CD1-CG2 3.89Å; Y8-V34 HydrophobicContact CD2-CG2 3.6Å; Y8-V34 HydrophobicContact CE1-CG2 4.27Å; Y8-V34 HydrophobicContact CE2-CG2 4Å; Y8-V34 HydrophobicContact CG-CG2 3.52Å; H30-V34 WeakPolarHBondContact O-CB 3.42Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.28Å; K31-V34 PolarHBondContact O-N 3.11Å; V34-Y37 PolarHBondContact O-N 3.33Å; V34-Y38 HydrophobicContact CG1-CD2 4.02Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 VanDerWaalsContact O-CD2 3.23Å; V34-Y38 WeakPolarHBondContact O-CD2 3.49Å; V34-Y38 PolarHBondContact O-N 3.38Å |
| 35 | K | 96.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 92.9 Ų | 92.9 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.6 | -47.1 | 176 | -176.6 | -175.9 | 174.2 | -171 | 0 | 111.3 | K31 D32 N33 Y37 Y38 Q39 | K31-K35 WeakPolarHBondContact O-CB 3.49Å; K31-K35 PolarHBondContact O-N 2.92Å; D32-K35 WeakPolarHBondContact O-CB 3.44Å; D32-K35 PolarHBondContact O-N 3.37Å; N33-K35 VanDerWaalsContact C-N 3.29Å; N33-K35 PolarHBondContact O-N 3.45Å; K35-Y37 VanDerWaalsContact C-N 3.32Å; K35-Y37 PolarHBondContact O-N 2.96Å; K35-Y38 PolarHBondContact O-N 3.45Å; K35-Q39 WeakPolarHBondContact O-CB 3.04Å; K35-Q39 PolarHBondContact O-N 2.97Å |
| 36 | E | 96.2 | Very high | 95.5 | Very high | 91 Ų | 91 | 94.4 Ų | 94.4 | 43% | 0.425 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 178.1 | -173.9 | 179.9 | 164.9 | 0 | 0 | 111.8 | D32 N33 Y38 Q39 K40 | D32-E36 PolarHBondContact O-N 3.19Å; N33-E36 PolarHBondContact O-N 3.5Å; E36-Y38 PolarHBondContact O-N 3.38Å; E36-Q39 PolarHBondContact O-N 3.06Å; E36-K40 HydrophobicContact CG-CD 4.3Å; E36-K40 HydrophobicContact CG-CG 4.48Å; E36-K40 WeakPolarHBondContact O-CG 3.22Å; E36-K40 PolarHBondContact O-N 2.92Å; E36-K40 WeakPolarHBondContact OE1-CE 3.16Å; E36-K40 IonicContact OE1-NZ 2.64Å; E36-K40 PolarHBondContact OE1-NZ 3.49Å |
| 37 | Y | 97.2 | Very high | 95.4 | Very high | 125 Ų | 125 | 97.1 Ų | 97.1 | 49% | 0.49 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -51.6 | 176.8 | 175.2 | -94.9 | 0 | 0 | 0 | 111.9 | Y8 N33 V34 K35 Q39 K40 W41 | Y8-Y37 HydrophobicContact CD1-CD1 4.32Å; Y8-Y37 HydrophobicContact CD1-CG 4.06Å; Y8-Y37 AromaticContact CE1-CD1 3.76Å; Y8-Y37 HydrophobicContact CE1-CD1 3.76Å; Y8-Y37 HydrophobicContact CE1-CE1 4.2Å; Y8-Y37 AromaticContact CE1-CG 3.96Å; Y8-Y37 HydrophobicContact CE1-CG 3.96Å; N33-Y37 WeakPolarHBondContact O-CB 3.38Å; N33-Y37 PolarHBondContact O-N 2.83Å; V34-Y37 PolarHBondContact O-N 3.33Å; K35-Y37 VanDerWaalsContact C-N 3.32Å; K35-Y37 PolarHBondContact O-N 2.96Å; Y37-Q39 VanDerWaalsContact C-N 3.3Å; Y37-Q39 PolarHBondContact O-N 2.89Å; Y37-K40 PolarHBondContact O-N 3.4Å; Y37-W41 WeakPolarHBondContact O-CB 3.33Å; Y37-W41 PolarHBondContact O-N 3.49Å |
| 38 | Y | 95.6 | Very high | 95.2 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.7 | -28.2 | 179.1 | -73.3 | -63.3 | 0 | 0 | 0 | 113 | V34 K35 E36 L42 | V34-Y38 HydrophobicContact CG1-CD2 4.02Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 VanDerWaalsContact O-CD2 3.23Å; V34-Y38 WeakPolarHBondContact O-CD2 3.49Å; V34-Y38 PolarHBondContact O-N 3.38Å; K35-Y38 PolarHBondContact O-N 3.45Å; E36-Y38 PolarHBondContact O-N 3.38Å; Y38-L42 WeakPolarHBondContact O-CB 3.34Å; Y38-L42 PolarHBondContact O-N 2.96Å |
| 39 | Q | 95 | Very high | 94.8 | Very high | 100 Ų | 100 | 99.2 Ų | 99.2 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67 | -49.8 | 173.5 | -178.1 | 174.5 | -11.4 | 0 | 0 | 111.5 | K35 E36 Y37 W41 L42 E43 | K35-Q39 WeakPolarHBondContact O-CB 3.04Å; K35-Q39 PolarHBondContact O-N 2.97Å; E36-Q39 PolarHBondContact O-N 3.06Å; Y37-Q39 VanDerWaalsContact C-N 3.3Å; Y37-Q39 PolarHBondContact O-N 2.89Å; Q39-W41 VanDerWaalsContact C-N 3.29Å; Q39-W41 PolarHBondContact O-N 3.48Å; Q39-L42 WeakPolarHBondContact O-CB 3.45Å; Q39-L42 PolarHBondContact O-N 3.37Å; Q39-L42 VanDerWaalsContact O-N 3.11Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.29Å; Q39-E43 PolarHBondContact NE2-OE1 3.38Å; Q39-E43 VanDerWaalsContact NE2-OE1 3.11Å; Q39-E43 WeakPolarHBondContact O-CG 3.42Å; Q39-E43 PolarHBondContact O-N 3.43Å |
| 40 | K | 94.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 45% | 0.452 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 174.4 | -73.5 | 179 | -178.5 | 168.5 | 0 | 111.4 | E36 Y37 L42 E43 E44 | E36-K40 HydrophobicContact CG-CD 4.3Å; E36-K40 HydrophobicContact CG-CG 4.48Å; E36-K40 WeakPolarHBondContact O-CG 3.22Å; E36-K40 PolarHBondContact O-N 2.92Å; E36-K40 WeakPolarHBondContact OE1-CE 3.16Å; E36-K40 IonicContact OE1-NZ 2.64Å; E36-K40 PolarHBondContact OE1-NZ 3.49Å; Y37-K40 PolarHBondContact O-N 3.4Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 2.93Å; K40-E43 PolarHBondContact O-N 3.24Å; K40-E44 WeakPolarHBondContact O-CG 3.49Å; K40-E44 PolarHBondContact O-N 3.5Å |
| 41 | W | 94.1 | Very high | 94.2 | Very high | 124 Ų | 124 | 98.9 Ų | 98.9 | 47% | 0.47 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 175.1 | 178.4 | 74.9 | 0 | 0 | 0 | 112.1 | Y37 Q39 E44 Q45 | Y37-W41 WeakPolarHBondContact O-CB 3.33Å; Y37-W41 PolarHBondContact O-N 3.49Å; Q39-W41 VanDerWaalsContact C-N 3.29Å; Q39-W41 PolarHBondContact O-N 3.48Å; W41-E44 PolarHBondContact O-N 3.32Å; W41-Q45 HydrophobicContact CD2-CG 4.32Å; W41-Q45 HydrophobicContact CZ2-CG 4.15Å; W41-Q45 WeakPolarHBondContact O-CG 3.23Å; W41-Q45 PolarHBondContact O-N 3.13Å |
| 42 | L | 94.8 | Very high | 93.7 | Very high | 103 Ų | 103 | 99.3 Ų | 99.3 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 176.2 | -176.7 | 63 | 0 | 0 | 0 | 112 | Y38 Q39 K40 E44 Q45 V46 | Y38-L42 WeakPolarHBondContact O-CB 3.34Å; Y38-L42 PolarHBondContact O-N 2.96Å; Q39-L42 WeakPolarHBondContact O-CB 3.45Å; Q39-L42 PolarHBondContact O-N 3.37Å; Q39-L42 VanDerWaalsContact O-N 3.11Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 2.93Å; L42-E44 VanDerWaalsContact C-N 3.34Å; L42-E44 PolarHBondContact O-N 3.32Å; L42-Q45 PolarHBondContact O-N 2.96Å; L42-V46 WeakPolarHBondContact O-CG2 3.41Å; L42-V46 PolarHBondContact O-N 3.03Å |
| 43 | E | 94.6 | Very high | 93.1 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.3 | -71.5 | 169.7 | -167.1 | 0 | 0 | 111.3 | Q39 K40 Q45 V46 Q47 | Q39-E43 WeakPolarHBondContact CG-OE1 3.29Å; Q39-E43 PolarHBondContact NE2-OE1 3.38Å; Q39-E43 VanDerWaalsContact NE2-OE1 3.11Å; Q39-E43 WeakPolarHBondContact O-CG 3.42Å; Q39-E43 PolarHBondContact O-N 3.43Å; K40-E43 PolarHBondContact O-N 3.24Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-Q45 PolarHBondContact O-N 2.87Å; E43-V46 PolarHBondContact O-N 3.45Å; E43-Q47 WeakPolarHBondContact O-CB 3.43Å; E43-Q47 PolarHBondContact O-N 3.25Å |
| 44 | E | 93.4 | Very high | 92.4 | Very high | 103 Ų | 103 | 98.1 Ų | 98.1 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.2 | -73.6 | 178.5 | -167.5 | 0 | 0 | 112.3 | K40 W41 L42 Q47 R48 | K40-E44 WeakPolarHBondContact O-CG 3.49Å; K40-E44 PolarHBondContact O-N 3.5Å; W41-E44 PolarHBondContact O-N 3.32Å; L42-E44 VanDerWaalsContact C-N 3.34Å; L42-E44 PolarHBondContact O-N 3.32Å; E44-Q47 PolarHBondContact O-N 3.47Å; E44-R48 WeakPolarHBondContact O-CG 3.38Å; E44-R48 PolarHBondContact O-N 3.24Å |
| 45 | Q | 92.2 | Very high | 91.7 | Very high | 78 Ų | 78 | 101.5 Ų | 101.5 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 177.5 | -70.1 | -69.2 | 98.9 | 0 | 0 | 112 | W41 L42 E43 L49 | W41-Q45 HydrophobicContact CD2-CG 4.32Å; W41-Q45 HydrophobicContact CZ2-CG 4.15Å; W41-Q45 WeakPolarHBondContact O-CG 3.23Å; W41-Q45 PolarHBondContact O-N 3.13Å; L42-Q45 PolarHBondContact O-N 2.96Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-Q45 PolarHBondContact O-N 2.87Å; Q45-L49 PolarHBondContact O-N 3.07Å |
| 46 | V | 92.5 | Very high | 90.8 | Very high | 81 Ų | 81 | 95.5 Ų | 95.5 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L42 E43 R48 L49 V50 | L42-V46 WeakPolarHBondContact O-CG2 3.41Å; L42-V46 PolarHBondContact O-N 3.03Å; E43-V46 PolarHBondContact O-N 3.45Å; V46-R48 PolarHBondContact O-N 3.48Å; V46-L49 WeakPolarHBondContact O-CB 3.38Å; V46-L49 PolarHBondContact O-N 3.24Å; V46-L49 VanDerWaalsContact O-N 3.12Å; V46-V50 HydrophobicContact CG1-CG2 4.31Å; V46-V50 WeakPolarHBondContact O-CG2 3.29Å; V46-V50 PolarHBondContact O-N 3.45Å |
| 47 | Q | 92.6 | Very high | 89.8 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 178.5 | -170.5 | 59.9 | 46 | 0 | 0 | 111.5 | E43 E44 L49 V50 D51 | E43-Q47 WeakPolarHBondContact O-CB 3.43Å; E43-Q47 PolarHBondContact O-N 3.25Å; E44-Q47 PolarHBondContact O-N 3.47Å; Q47-L49 VanDerWaalsContact C-N 3.26Å; Q47-L49 PolarHBondContact O-N 2.92Å; Q47-V50 PolarHBondContact O-N 2.86Å; Q47-V50 VanDerWaalsContact O-N 3.11Å; Q47-D51 PolarHBondContact NE2-OD1 3.21Å; Q47-D51 WeakPolarHBondContact O-CB 3.21Å; Q47-D51 PolarHBondContact O-N 3.49Å |
| 48 | R | 91.6 | Very high | 88.8 | Confident | 146 Ų | 146 | 99.3 Ų | 99.3 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.2 | -38.7 | 174.3 | -73.9 | 173.2 | -177.9 | 157.6 | 5.6 | 112.8 | E44 V46 H52 | E44-R48 WeakPolarHBondContact O-CG 3.38Å; E44-R48 PolarHBondContact O-N 3.24Å; V46-R48 PolarHBondContact O-N 3.48Å; R48-H52 WeakPolarHBondContact O-CB 3.49Å; R48-H52 PolarHBondContact O-N 2.99Å; R48-H52 VanDerWaalsContact O-N 3.08Å |
| 49 | L | 89.2 | Confident | 87.7 | Confident | 121 Ų | 121 | 99.8 Ų | 99.8 | 63% | 0.634 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.1 | -41.6 | 176.4 | -178.2 | 62.4 | 0 | 0 | 0 | 111.8 | Q45 V46 Q47 H52 T53 | Q45-L49 PolarHBondContact O-N 3.07Å; V46-L49 WeakPolarHBondContact O-CB 3.38Å; V46-L49 PolarHBondContact O-N 3.24Å; V46-L49 VanDerWaalsContact O-N 3.12Å; Q47-L49 VanDerWaalsContact C-N 3.26Å; Q47-L49 PolarHBondContact O-N 2.92Å; L49-H52 PolarHBondContact O-N 2.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.49Å; L49-T53 PolarHBondContact O-N 3.39Å |
| 50 | V | 89.6 | Confident | 86.1 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 42% | 0.418 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | V46 Q47 T53 S54 | V46-V50 HydrophobicContact CG1-CG2 4.31Å; V46-V50 WeakPolarHBondContact O-CG2 3.29Å; V46-V50 PolarHBondContact O-N 3.45Å; Q47-V50 PolarHBondContact O-N 2.86Å; Q47-V50 VanDerWaalsContact O-N 3.11Å; V50-T53 VanDerWaalsContact O-CG2 3.23Å; V50-T53 WeakPolarHBondContact O-CG2 3.43Å; V50-T53 PolarHBondContact O-N 3.48Å; V50-S54 VanDerWaalsContact O-CB 3.22Å; V50-S54 WeakPolarHBondContact O-CB 3.22Å; V50-S54 PolarHBondContact O-N 3.32Å; V50-S54 PolarHBondContact O-OG 3.22Å |
| 51 | D | 90.4 | Very high | 84.5 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 35% | 0.353 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 178.9 | -64.9 | -22.7 | 0 | 0 | 0 | 110 | Q47 T53 S54 E55 | Q47-D51 PolarHBondContact NE2-OD1 3.21Å; Q47-D51 WeakPolarHBondContact O-CB 3.21Å; Q47-D51 PolarHBondContact O-N 3.49Å; D51-T53 PolarHBondContact O-N 3.06Å; D51-S54 PolarHBondContact O-N 3.44Å; D51-S54 VanDerWaalsContact O-N 3.16Å; D51-S54 PolarHBondContact O-OG 3.29Å; D51-E55 WeakPolarHBondContact O-CB 3.49Å; D51-E55 WeakPolarHBondContact O-CG 3.37Å; D51-E55 PolarHBondContact O-N 2.98Å |
| 52 | H | 86 | Confident | 82.6 | Confident | 132 Ų | 132 | 100 Ų | 100 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 177.8 | -176.5 | -91.6 | 0 | 0 | 0 | 113 | R48 L49 A56 | R48-H52 WeakPolarHBondContact O-CB 3.49Å; R48-H52 PolarHBondContact O-N 2.99Å; R48-H52 VanDerWaalsContact O-N 3.08Å; L49-H52 PolarHBondContact O-N 2.95Å; H52-A56 WeakPolarHBondContact O-CB 3.32Å; H52-A56 PolarHBondContact O-N 2.64Å |
| 53 | T | 84.5 | Confident | 80.7 | Confident | 64 Ų | 64 | 100.3 Ų | 100.3 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.9 | -33.6 | 176.8 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | L49 V50 D51 Y57 | L49-T53 WeakPolarHBondContact O-CG2 3.49Å; L49-T53 PolarHBondContact O-N 3.39Å; V50-T53 VanDerWaalsContact O-CG2 3.23Å; V50-T53 WeakPolarHBondContact O-CG2 3.43Å; V50-T53 PolarHBondContact O-N 3.48Å; D51-T53 PolarHBondContact O-N 3.06Å; T53-Y57 WeakPolarHBondContact O-CB 3.25Å; T53-Y57 PolarHBondContact O-N 3.06Å |
| 54 | S | 82.6 | Confident | 79.1 | Confident | 41 Ų | 41 | 99 Ų | 99 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.5 | -37.3 | 178.2 | 79.4 | 0 | 0 | 0 | 0 | 111.5 | V50 D51 Y57 K58 | V50-S54 VanDerWaalsContact O-CB 3.22Å; V50-S54 WeakPolarHBondContact O-CB 3.22Å; V50-S54 PolarHBondContact O-N 3.32Å; V50-S54 PolarHBondContact O-OG 3.22Å; D51-S54 PolarHBondContact O-N 3.44Å; D51-S54 VanDerWaalsContact O-N 3.16Å; D51-S54 PolarHBondContact O-OG 3.29Å; S54-Y57 WeakPolarHBondContact O-CB 3.49Å; S54-Y57 PolarHBondContact O-N 2.94Å; S54-K58 WeakPolarHBondContact O-CB 3.09Å; S54-K58 VanDerWaalsContact O-CG 3.29Å; S54-K58 WeakPolarHBondContact O-CG 3.48Å; S54-K58 PolarHBondContact O-N 3.23Å |
| 55 | E | 81.9 | Confident | 77.5 | Confident | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 173.3 | -72.2 | 179 | 167.4 | 0 | 0 | 111.3 | D51 Y57 K58 Q59 | D51-E55 WeakPolarHBondContact O-CB 3.49Å; D51-E55 WeakPolarHBondContact O-CG 3.37Å; D51-E55 PolarHBondContact O-N 2.98Å; E55-Y57 PolarHBondContact O-N 3.39Å; E55-K58 PolarHBondContact O-N 2.86Å; E55-Q59 WeakPolarHBondContact O-CB 3.25Å; E55-Q59 VanDerWaalsContact O-CG 3.28Å; E55-Q59 WeakPolarHBondContact O-CG 3.39Å; E55-Q59 PolarHBondContact O-N 3.4Å |
| 56 | A | 78.5 | Confident | 75.8 | Confident | 22 Ų | 22 | 101.2 Ų | 101.2 | 18% | 0.182 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H52 K61 M62 | H52-A56 WeakPolarHBondContact O-CB 3.32Å; H52-A56 PolarHBondContact O-N 2.64Å; A56-K61 PolarHBondContact O-N 3.23Å; A56-M62 HydrophobicContact CB-CG 3.99Å |
| 57 | Y | 73.6 | Confident | 73.6 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.5 | -46.1 | 174.2 | -161.9 | -99.5 | 0 | 0 | 0 | 111.9 | T53 S54 E55 Q59 G60 M62 | T53-Y57 WeakPolarHBondContact O-CB 3.25Å; T53-Y57 PolarHBondContact O-N 3.06Å; S54-Y57 WeakPolarHBondContact O-CB 3.49Å; S54-Y57 PolarHBondContact O-N 2.94Å; E55-Y57 PolarHBondContact O-N 3.39Å; Y57-Q59 VanDerWaalsContact C-N 3.3Å; Y57-Q59 PolarHBondContact O-N 2.9Å; Y57-G60 PolarHBondContact O-N 3.13Å; Y57-M62 HydrophobicContact CD2-CB 4.29Å |
| 58 | K | 76.6 | Confident | 71.4 | Confident | 175 Ų | 175 | 105.9 Ų | 105.9 | 76% | 0.761 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.1 | -34 | 175.6 | -73.7 | 172.5 | -176.3 | 173.8 | 0 | 112.7 | S54 E55 G60 | S54-K58 WeakPolarHBondContact O-CB 3.09Å; S54-K58 VanDerWaalsContact O-CG 3.29Å; S54-K58 WeakPolarHBondContact O-CG 3.48Å; S54-K58 PolarHBondContact O-N 3.23Å; E55-K58 PolarHBondContact O-N 2.86Å; K58-G60 PolarHBondContact O-N 3.23Å |
| 59 | Q | 72.8 | Confident | 68.9 | Low | 131 Ų | 131 | 101.5 Ų | 101.5 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 1.6 | 174.8 | -70.8 | -179.9 | 22.6 | 0 | 0 | 113.5 | E55 Y57 K61 | E55-Q59 WeakPolarHBondContact O-CB 3.25Å; E55-Q59 VanDerWaalsContact O-CG 3.28Å; E55-Q59 WeakPolarHBondContact O-CG 3.39Å; E55-Q59 PolarHBondContact O-N 3.4Å; Y57-Q59 VanDerWaalsContact C-N 3.3Å; Y57-Q59 PolarHBondContact O-N 2.9Å; Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.44Å |
| 60 | G | 61.3 | Low | 66.6 | Low | 66 Ų | 66 | 100.7 Ų | 100.7 | 68% | 0.68 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.7 | 18.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y57 K58 | Y57-G60 PolarHBondContact O-N 3.13Å; K58-G60 PolarHBondContact O-N 3.23Å |
| 61 | K | 60.8 | Low | 64.5 | Low | 170 Ų | 170 | 101.6 Ų | 101.6 | 74% | 0.739 | 59% | 0.585 | S | S | * | * | trans | -101.5 | 2.5 | -177.2 | -75.5 | 175.6 | 178.5 | 171.6 | 0 | 114.6 | A56 Q59 | A56-K61 PolarHBondContact O-N 3.23Å; Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.44Å | ||
| 62 | M | 54.5 | Low | 62.5 | Low | 96 Ų | 96 | 102 Ų | 102 | 47% | 0.473 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -122.4 | 124.4 | -179.4 | -64.8 | -82.2 | -91.1 | 0 | 0 | 108.8 | A56 Y57 | A56-M62 HydrophobicContact CB-CG 3.99Å; Y57-M62 HydrophobicContact CD2-CB 4.29Å |
| 63 | P | 55.9 | Low | 61.1 | Low | 109 Ų | 109 | 102.3 Ų | 102.3 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | trans | -58.4 | 148.6 | 171.4 | 25 | -31 | 0 | 0 | 0 | 109.2 | ||||
| 64 | P | 59.5 | Low | 59.6 | Low | 84 Ų | 84 | 104.2 Ų | 104.2 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | trans | -44.9 | 134.5 | 175.6 | 16.7 | -29.3 | 0 | 0 | 0 | 109.7 | L66 | P64-L66 PolarHBondContact O-N 3.03Š| ||
| 65 | P | 59.9 | Low | 58.2 | Low | 98 Ų | 98 | 107.6 Ų | 107.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | trans | -52.7 | 117.1 | 176 | 21.7 | -30.7 | 0 | 0 | 0 | 106.4 | F67 | P65-F67 PolarHBondContact O-N 3.14Š| ||
| 66 | L | 56.4 | Low | 56.6 | Low | 130 Ų | 130 | 109.3 Ų | 109.3 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | trans | -73.4 | 43.4 | -176.3 | -148.9 | 98.2 | 0 | 0 | 0 | 110 | P64 G68 A69 I73 | P64-L66 PolarHBondContact O-N 3.03Å; L66-G68 PolarHBondContact O-N 3.31Å; L66-A69 HydrophobicContact CD1-CB 4.02Å; L66-A69 HydrophobicContact CD2-CB 3.78Å; L66-A69 HydrophobicContact CG-CB 3.59Å; L66-I73 HydrophobicContact CD2-CD1 4.36Å | ||
| 67 | F | 48 | Very low | 55.4 | Low | 206 Ų | 206 | 111.1 Ų | 111.1 | 90% | 0.904 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -93.7 | 78.4 | 172.3 | -156.9 | -91.1 | 0 | 0 | 0 | 106.8 | P65 | P65-F67 PolarHBondContact O-N 3.14Š|
| 68 | G | 44.8 | Very low | 54.3 | Low | 71 Ų | 71 | 114 Ų | 114 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | 139.4 | 6.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L66 A70 | L66-G68 PolarHBondContact O-N 3.31Å; G68-A70 PolarHBondContact O-N 2.8Å | ||
| 69 | A | 39 | Very low | 53.1 | Low | 54 Ų | 54 | 109 Ų | 109 | 45% | 0.446 | 71% | 0.707 | S | S | . | * | trans | -69.9 | 79.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L66 A71 | L66-A69 HydrophobicContact CD1-CB 4.02Å; L66-A69 HydrophobicContact CD2-CB 3.78Å; L66-A69 HydrophobicContact CG-CB 3.59Å; A69-A71 PolarHBondContact O-N 2.81Å | ||
| 70 | A | 41.1 | Very low | 52.4 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | trans | -65.1 | 67.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109 | G68 | G68-A70 PolarHBondContact O-N 2.8Š| ||
| 71 | A | 46.1 | Very low | 52.5 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -174.5 | 95.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | A69 | A69-A71 PolarHBondContact O-N 2.81Š|
| 72 | G | 47.9 | Very low | 52.2 | Low | 75 Ų | 75 | 113.1 Ų | 113.1 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | 109.8 | 14.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120 | P74 | G72-P74 WeakPolarHBondContact O-CD 3.49Š| ||
| 73 | I | 56.9 | Low | 52.4 | Low | 138 Ų | 138 | 119 Ų | 119 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -95 | 108.5 | 169.3 | -56.7 | 175.7 | 0 | 0 | 0 | 109 | L66 | L66-I73 HydrophobicContact CD2-CD1 4.36Š| ||
| 74 | P | 52.8 | Low | 52.8 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -65 | 145 | 177.5 | 26.9 | -33 | 0 | 0 | 0 | 110.5 | G72 | G72-P74 WeakPolarHBondContact O-CD 3.49Š| ||
| 75 | P | 54.2 | Low | 53 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -57.7 | 132.8 | -173.7 | 20.8 | -31.2 | 0 | 0 | 0 | 111.2 | G77 | P75-G77 VanDerWaalsContact C-N 3.29Å; P75-G77 PolarHBondContact O-N 3.19Å | ||
| 76 | P | 48 | Very low | 53.1 | Low | 143 Ų | 143 | 126.1 Ų | 126.1 | 93% | 0.929 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -68.1 | 89.5 | 176.5 | 27.1 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 77 | G | 52.8 | Low | 53.1 | Low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -157.9 | -0.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116 | P75 | P75-G77 VanDerWaalsContact C-N 3.29Å; P75-G77 PolarHBondContact O-N 3.19Å | ||
| 78 | L | 51.3 | Low | 53.6 | Low | 181 Ų | 181 | 126.5 Ų | 126.5 | 95% | 0.948 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -135.7 | 108.4 | 177.7 | -94.9 | 92.3 | 0 | 0 | 0 | 110.9 | ||
| 79 | G | 51.4 | Low | 54 | Low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 121.6 | 68.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P81 | G79-P81 WeakPolarHBondContact O-CD 3.44Š| ||
| 80 | Y | 57.4 | Low | 54.9 | Low | 229 Ų | 229 | 130 Ų | 130 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -85.6 | 108.9 | 159.4 | -75.7 | -84.9 | 0 | 0 | 0 | 109.2 | ||||
| 81 | P | 64.3 | Low | 55.4 | Low | 90 Ų | 90 | 130.6 Ų | 130.6 | 58% | 0.584 | 78% | 0.775 | S | S | * | * | trans | -74.5 | 139.5 | 155.6 | 29.5 | -31.1 | 0 | 0 | 0 | 109 | G79 R83 | G79-P81 WeakPolarHBondContact O-CD 3.44Å; P81-R83 PolarHBondContact O-N 3.1Å | ||
| 82 | P | 54 | Low | 55.7 | Low | 134 Ų | 134 | 133.8 Ų | 133.8 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 103.5 | 178.2 | -3.1 | 11.9 | 0 | 0 | 0 | 110.1 | ||||
| 83 | R | 57.9 | Low | 56.4 | Low | 219 Ų | 219 | 133.2 Ų | 133.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -100.2 | 67.4 | 174.9 | -78 | -169.9 | 163.1 | -167.8 | -2.6 | 110.6 | P81 | P81-R83 PolarHBondContact O-N 3.1Š| ||
| 84 | Y | 65.4 | Low | 56.4 | Low | 223 Ų | 223 | 136.7 Ų | 136.7 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -112.3 | 105.3 | 155.7 | -73.6 | -78.4 | 0 | 0 | 0 | 108.3 | ||||
| 85 | P | 63.4 | Low | 56.9 | Low | 108 Ų | 108 | 142.5 Ų | 142.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 142.7 | 157.1 | 28.2 | -30 | 0 | 0 | 0 | 108.9 | M87 | P85-M87 PolarHBondContact O-N 3.44Š| ||
| 86 | P | 62.1 | Low | 57.4 | Low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -60.4 | 126.9 | -175.3 | 24.4 | -33.1 | 0 | 0 | 0 | 110.6 | I88 | P86-I88 VanDerWaalsContact C-N 3.32Å; P86-I88 PolarHBondContact O-N 3Å | ||
| 87 | M | 56.8 | Low | 58.3 | Low | 190 Ų | 190 | 141.5 Ų | 141.5 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -61.5 | 94.6 | 167.6 | -83.2 | -74.4 | -169.8 | 0 | 0 | 108.7 | P85 G89 | P85-M87 PolarHBondContact O-N 3.44Å; M87-G89 PolarHBondContact O-N 3.45Å | ||
| 88 | I | 57.3 | Low | 59.2 | Low | 155 Ų | 155 | 145.9 Ų | 145.9 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 106.9 | 169.1 | -72 | 171.6 | 0 | 0 | 0 | 107.8 | P86 | P86-I88 VanDerWaalsContact C-N 3.32Å; P86-I88 PolarHBondContact O-N 3Å | ||
| 89 | G | 53.4 | Low | 60 | Low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 51.1 | 83.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | M87 | M87-G89 PolarHBondContact O-N 3.45Š| ||
| 90 | V | 58.1 | Low | 60.9 | Low | 130 Ų | 130 | 147.4 Ų | 147.4 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -85.3 | 126 | 154.9 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | T92 | V90-T92 PolarHBondContact O-N 3.2Š| ||
| 91 | P | 52.1 | Low | 61.6 | Low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 123.4 | 176.2 | 8.8 | -6.6 | 0 | 0 | 0 | 110.6 | G93 | P91-G93 PolarHBondContact O-N 2.94Š| ||
| 92 | T | 53 | Low | 61.6 | Low | 154 Ų | 154 | 143 Ų | 143 | 95% | 0.945 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 99.2 | 171.6 | -35.2 | 0 | 0 | 0 | 0 | 109.7 | V90 | V90-T92 PolarHBondContact O-N 3.2Š|
| 93 | G | 61.7 | Low | 62 | Low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.9 | -23 | -179.3 | 0 | 0 | 0 | 0 | 0 | 119 | P91 | P91-G93 PolarHBondContact O-N 2.94Š|
| 94 | F | 56.8 | Low | 61.6 | Low | 211 Ų | 211 | 141.7 Ų | 141.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -107.6 | 92.6 | -176.5 | -97.8 | -96.9 | 0 | 0 | 0 | 112.1 | P96 | F94-P96 WeakPolarHBondContact O-CD 3.32Š| ||
| 95 | R | 63.1 | Low | 61.2 | Low | 226 Ų | 226 | 134.4 Ų | 134.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -91.3 | 112.6 | 162.7 | -65.3 | -179.6 | 80 | -147.9 | 5.8 | 108.2 | ||||
| 96 | P | 64.7 | Low | 60.9 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 144.8 | 168.9 | 27.1 | -31 | 0 | 0 | 0 | 110.2 | F94 | F94-P96 WeakPolarHBondContact O-CD 3.32Š|
| 97 | P | 67.8 | Low | 60.8 | Low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.7 | -177.1 | 25 | -31.2 | 0 | 0 | 0 | 111.4 | ||
| 98 | L | 70.9 | Confident | 60.9 | Low | 152 Ų | 152 | 139.2 Ų | 139.2 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 141.8 | 174.5 | -73.1 | 164.7 | 0 | 0 | 0 | 110.4 | L100 | L98-L100 PolarHBondContact O-N 3.35Š|
| 99 | P | 69.4 | Low | 61.5 | Low | 116 Ų | 116 | 136.5 Ų | 136.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68 | 121 | 173.2 | -13.2 | 27.7 | 0 | 0 | 0 | 110.7 | V101 | P99-V101 PolarHBondContact O-N 2.79Š|
| 100 | L | 69 | Low | 62 | Low | 167 Ų | 167 | 139.3 Ų | 139.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.7 | 170.5 | -176 | 71.5 | 0 | 0 | 0 | 109.4 | L98 | L98-L100 PolarHBondContact O-N 3.35Š|
| 101 | V | 71.8 | Confident | 62.4 | Low | 120 Ų | 120 | 144.4 Ų | 144.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82 | 124.2 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | P99 | P99-V101 PolarHBondContact O-N 2.79Š|
| 102 | P | 66 | Low | 63.1 | Low | 105 Ų | 105 | 144.5 Ų | 144.5 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 143.8 | 171.4 | 28.7 | -31.5 | 0 | 0 | 0 | 111.4 | ||
| 103 | P | 60.6 | Low | 63.5 | Low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 135 | -170.8 | 25.3 | -33.3 | 0 | 0 | 0 | 113.2 | G105 | P103-G105 PolarHBondContact O-N 2.98Š|
| 104 | Q | 51.4 | Low | 63.8 | Low | 199 Ų | 199 | 148.6 Ų | 148.6 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.7 | 167.9 | -73 | 149.5 | -70.5 | 0 | 0 | 110.2 | ||
| 105 | G | 56 | Low | 63.9 | Low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 157.6 | 70.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P103 | P103-G105 PolarHBondContact O-N 2.98Š| ||
| 106 | M | 57.6 | Low | 63.8 | Low | 186 Ų | 186 | 143.4 Ų | 143.4 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -141.3 | 114.9 | 149.9 | -72.7 | -158.6 | 173.8 | 0 | 0 | 110.8 | ||||
| 107 | I | 59.6 | Low | 63.8 | Low | 167 Ų | 167 | 143.8 Ų | 143.8 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -31.3 | 120.9 | 168.4 | -64.6 | 152.8 | 0 | 0 | 0 | 112.5 | ||||
| 108 | I | 58.9 | Low | 63.4 | Low | 156 Ų | 156 | 146.6 Ų | 146.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 120.7 | 168.2 | -58.3 | 175 | 0 | 0 | 0 | 107.7 | ||
| 109 | P | 68.9 | Low | 62.4 | Low | 98 Ų | 98 | 145.5 Ų | 145.5 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71 | 145.2 | 172.2 | 28.5 | -32.7 | 0 | 0 | 0 | 111 | R111 | P109-R111 PolarHBondContact O-N 3Š|
| 110 | P | 65.4 | Low | 61.6 | Low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 124.2 | -174.3 | 26.7 | -32.7 | 0 | 0 | 0 | 110.9 | ||
| 111 | R | 65.9 | Low | 61 | Low | 236 Ų | 236 | 142.4 Ų | 142.4 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78 | 130.8 | 170.4 | -96.9 | -173.4 | 172 | -141 | -0.9 | 109.9 | P109 Q113 | P109-R111 PolarHBondContact O-N 3Å; R111-Q113 PolarHBondContact O-N 3.32Å |
| 112 | P | 66.7 | Low | 60.1 | Low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 125.1 | 173.2 | -20.1 | 31.3 | 0 | 0 | 0 | 111.5 | I114 | P112-I114 PolarHBondContact O-N 2.89Š|
| 113 | Q | 61.2 | Low | 60.1 | Low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -70.4 | 112 | 173.5 | -172.5 | 84.2 | 22.2 | 0 | 0 | 109.2 | R111 | R111-Q113 PolarHBondContact O-N 3.32Š| ||
| 114 | I | 68.4 | Low | 60.5 | Low | 124 Ų | 124 | 142.2 Ų | 142.2 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -98 | 118.1 | 165.6 | -63.8 | 167.7 | 0 | 0 | 0 | 107.4 | P112 W116 | P112-I114 PolarHBondContact O-N 2.89Å; I114-W116 PolarHBondContact O-N 2.6Å | ||
| 115 | P | 58.9 | Low | 61.4 | Low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 115 | 177.3 | 1.5 | 14 | 0 | 0 | 0 | 109.4 | ||||
| 116 | W | 61.3 | Low | 62 | Low | 218 Ų | 218 | 141.1 Ų | 141.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85 | 129.5 | 167 | -69.5 | 91.2 | 0 | 0 | 0 | 109.3 | I114 Q118 | I114-W116 PolarHBondContact O-N 2.6Å; W116-Q118 PolarHBondContact O-N 3.4Å |
| 117 | P | 64.8 | Low | 62 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 128.4 | 179 | 28.3 | -32 | 0 | 0 | 0 | 110.1 | ||
| 118 | Q | 58.9 | Low | 62.5 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 130.4 | 154.5 | -52.2 | -158.4 | 1.1 | 0 | 0 | 105.5 | W116 | W116-Q118 PolarHBondContact O-N 3.4Š|
| 119 | P | 49 | Very low | 63.1 | Low | 129 Ų | 129 | 140.3 Ų | 140.3 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -157.5 | 169.2 | 90.6 | 35.6 | -15.2 | 0 | 0 | 0 | 114.8 | |||||
| 120 | G | 54.4 | Low | 63.2 | Low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 127.5 | 88.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 121 | V | 54.6 | Low | 63.4 | Low | 153 Ų | 153 | 140.7 Ų | 140.7 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | 11.1 | 110.7 | 139.1 | -70.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 122 | A | 54.2 | Low | 62.9 | Low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -141.2 | 115 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 123 | V | 64.8 | Low | 62.7 | Low | 135 Ų | 135 | 143.1 Ų | 143.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.6 | 179.6 | -83.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 124 | P | 69.3 | Low | 62.8 | Low | 115 Ų | 115 | 141.2 Ų | 141.2 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139.4 | 171 | 30.5 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 125 | P | 69.8 | Low | 62.5 | Low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.1 | 173.6 | 27.4 | -32.3 | 0 | 0 | 0 | 111.2 | ||
| 126 | T | 68.6 | Low | 62.7 | Low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 131.2 | 174.3 | 40.9 | 0 | 0 | 0 | 0 | 112.5 | T128 | T126-T128 PolarHBondContact O-N 3.33Š|
| 127 | Y | 58.3 | Low | 62.8 | Low | 230 Ų | 230 | 139.4 Ų | 139.4 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 116.2 | 168.8 | -69.1 | -90.6 | 0 | 0 | 0 | 110.3 | ||
| 128 | T | 70.6 | Confident | 62.7 | Low | 133 Ų | 133 | 141.1 Ų | 141.1 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -99.4 | 108.5 | 159 | 42 | 0 | 0 | 0 | 0 | 108.4 | T126 | T126-T128 PolarHBondContact O-N 3.33Š| ||
| 129 | V | 71.7 | Confident | 63 | Low | 129 Ų | 129 | 137.8 Ų | 137.8 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 125.3 | 165.7 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | ||
| 130 | P | 70.3 | Confident | 64 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 145.4 | 170.8 | 31.1 | -31.1 | 0 | 0 | 0 | 111.4 | ||
| 131 | P | 68.9 | Low | 64.8 | Low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 130.8 | 178.6 | 33 | -31.7 | 0 | 0 | 0 | 112.2 | ||
| 132 | Q | 57 | Low | 65.8 | Low | 263 Ų | 263 | 143.8 Ų | 143.8 | 100% | 1.229 | 83% | 0.834 | S | S | * | * | trans | -153.4 | 0 | 147 | -79.2 | -65.9 | -30.9 | 0 | 0 | 107.4 |
Retrieved 132 of 132 residues in 27.1 ms
(Link to these results)