| 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 | 38.9 | Very low | 70.2 | Confident | 231 Ų | 231 | 141.7 Ų | 141.7 | 100% | 1.138 | 74% | 0.741 | S | S | * | * | 0 | 115.1 | 0 | -65.6 | -62.4 | -178.4 | 0 | 0 | 107.5 | S3 | M1-S3 PolarHBondContact O-N 3.02Š| |||
| 2 | P | 46.4 | Very low | 72 | Confident | 126 Ų | 126 | 134.2 Ų | 134.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -66 | 121.5 | 175.3 | 27.8 | -31.5 | 0 | 0 | 0 | 108.6 | K4 | P2-K4 PolarHBondContact O-N 3.32Š| ||
| 3 | S | 49.2 | Very low | 73.5 | Confident | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | -63.3 | 119.5 | 175.3 | 43.7 | 0 | 0 | 0 | 0 | 108.7 | M1 S5 | M1-S3 PolarHBondContact O-N 3.02Å; S3-S5 PolarHBondContact O-N 3.29Å | ||
| 4 | K | 58.1 | Low | 75 | Confident | 209 Ų | 209 | 119 Ų | 119 | 91% | 0.909 | 64% | 0.644 | S | S | * | * | trans | -66.3 | 102.8 | 173.2 | -67.8 | -177.8 | 179.3 | 178.9 | 0 | 107.8 | P2 K6 | P2-K4 PolarHBondContact O-N 3.32Å; K4-K6 PolarHBondContact O-N 3.1Å | ||
| 5 | S | 72.1 | Confident | 76.2 | Confident | 111 Ų | 111 | 115.7 Ų | 115.7 | 78% | 0.776 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.2 | 170.4 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | S3 | S3-S5 PolarHBondContact O-N 3.29Š|
| 6 | K | 74 | Confident | 77.5 | Confident | 141 Ų | 141 | 113.2 Ų | 113.2 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 139 | 174.7 | -63.3 | 169.9 | -175.4 | 166.5 | 0 | 108.3 | K4 R8 | K4-K6 PolarHBondContact O-N 3.1Å; K6-R8 PolarHBondContact O-N 3.26Å |
| 7 | P | 81 | Confident | 78.6 | Confident | 136 Ų | 136 | 118.4 Ų | 118.4 | 88% | 0.883 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 125.5 | 175.8 | 25.3 | -32.7 | 0 | 0 | 0 | 109.4 | ||
| 8 | R | 84.5 | Confident | 79.5 | Confident | 193 Ų | 193 | 119.7 Ų | 119.7 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | trans | -119 | 145.1 | 178.6 | -65.9 | 179 | 73.8 | 177.6 | 4.1 | 109.7 | K6 | K6-R8 PolarHBondContact O-N 3.26Š| ||
| 9 | L | 87.3 | Confident | 80.3 | Confident | 97 Ų | 97 | 115.5 Ų | 115.5 | 51% | 0.508 | 60% | 0.603 | S | S | . | * | trans | -65.1 | 146.7 | 171.3 | -67.8 | 173.3 | 0 | 0 | 0 | 110.2 | V13 L14 T22 | L9-V13 HydrophobicContact CD2-CG1 4.44Å; L9-L14 HydrophobicContact CB-CD2 4.23Å; L9-L14 HydrophobicContact CB-CG 4.11Å; L9-L14 HydrophobicContact CD1-CD2 3.99Å; L9-T22 HydrophobicContact CD1-CG2 4.43Å | ||
| 10 | S | 91.2 | Very high | 81 | Confident | 69 Ų | 69 | 113.9 Ų | 113.9 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | trans | -66.7 | 151.9 | 176.6 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | G12 V13 L14 | S10-G12 VanDerWaalsContact C-N 3.29Å; S10-G12 PolarHBondContact O-N 3.28Å; S10-V13 PolarHBondContact O-N 3.31Å; S10-V13 VanDerWaalsContact O-N 3.1Å; S10-V13 VanDerWaalsContact OG-CG2 3.23Å; S10-V13 WeakPolarHBondContact OG-CG2 3.36Å; S10-V13 PolarHBondContact OG-N 3.16Å; S10-L14 PolarHBondContact O-N 3.27Å; S10-L14 VanDerWaalsContact O-N 3.16Å | ||
| 11 | R | 89.1 | Confident | 81.6 | Confident | 131 Ų | 131 | 118.7 Ų | 118.7 | 49% | 0.494 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.2 | -42.6 | -179.4 | -176.9 | 55.8 | 179.6 | -175.2 | -6.4 | 112.1 | V13 L14 D15 E27 | R11-V13 VanDerWaalsContact C-N 3.27Å; R11-V13 PolarHBondContact O-N 3.38Å; R11-L14 PolarHBondContact O-N 3.16Å; R11-L14 VanDerWaalsContact O-N 3.12Å; R11-D15 IonicContact CZ-OD1 3.45Å; R11-D15 IonicContact NE-OD1 3.3Å; R11-D15 PolarHBondContact NE-OD1 3.25Å; R11-D15 IonicContact NE-OD2 2.73Å; R11-D15 PolarHBondContact NE-OD2 3.48Å; R11-D15 IonicContact NH2-OD1 3.53Å; R11-D15 PolarHBondContact O-N 3.47Å; R11-E27 IonicContact CZ-OE1 2.78Å; R11-E27 IonicContact NH1-OE1 2.89Å; R11-E27 PolarHBondContact NH1-OE1 3.44Å; R11-E27 IonicContact NH2-OE1 3.22Å; R11-E27 PolarHBondContact NH2-OE1 3.39Å |
| 12 | G | 92.7 | Very high | 84.2 | Confident | 51 Ų | 51 | 110 Ų | 110 | 53% | 0.526 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -33.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S10 | S10-G12 VanDerWaalsContact C-N 3.29Å; S10-G12 PolarHBondContact O-N 3.28Å |
| 13 | V | 91.6 | Very high | 86.4 | Confident | 45 Ų | 45 | 105.6 Ų | 105.6 | 27% | 0.273 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L9 S10 R11 D15 M16 M19 | L9-V13 HydrophobicContact CD2-CG1 4.44Å; S10-V13 PolarHBondContact O-N 3.31Å; S10-V13 VanDerWaalsContact O-N 3.1Å; S10-V13 VanDerWaalsContact OG-CG2 3.23Å; S10-V13 WeakPolarHBondContact OG-CG2 3.36Å; S10-V13 PolarHBondContact OG-N 3.16Å; R11-V13 VanDerWaalsContact C-N 3.27Å; R11-V13 PolarHBondContact O-N 3.38Å; V13-D15 VanDerWaalsContact C-N 3.26Å; V13-D15 PolarHBondContact O-N 3.43Å; V13-M16 HydrophobicContact CB-CE 3.91Å; V13-M16 HydrophobicContact CG1-CE 3.78Å; V13-M16 HydrophobicContact CG2-CE 3.84Å; V13-M16 WeakPolarHBondContact O-CB 3.49Å; V13-M16 PolarHBondContact O-N 3.34Å; V13-M19 HydrophobicContact CG1-CG 4.36Å; V13-M19 WeakPolarHBondContact O-CB 3.37Å; V13-M19 WeakPolarHBondContact O-CG 3.37Å |
| 14 | L | 93.2 | Very high | 88.5 | Confident | 11 Ų | 11 | 104.6 Ų | 104.6 | 6% | 0.058 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -65.4 | -28.9 | 178.6 | -70.8 | 174.5 | 0 | 0 | 0 | 113 | L9 S10 R11 M16 T22 K23 V26 | L9-L14 HydrophobicContact CB-CD2 4.23Å; L9-L14 HydrophobicContact CB-CG 4.11Å; L9-L14 HydrophobicContact CD1-CD2 3.99Å; S10-L14 PolarHBondContact O-N 3.27Å; S10-L14 VanDerWaalsContact O-N 3.16Å; R11-L14 PolarHBondContact O-N 3.16Å; R11-L14 VanDerWaalsContact O-N 3.12Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.19Å; L14-T22 HydrophobicContact CD2-CG2 4.14Å; L14-K23 HydrophobicContact CB-CB 4.38Å; L14-V26 HydrophobicContact CD1-CG1 4.15Å; L14-V26 HydrophobicContact CD2-CG2 4.38Å |
| 15 | D | 94.1 | Very high | 90.2 | Very high | 70 Ų | 70 | 102 Ų | 102 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.6 | 178.8 | -71.4 | -31.7 | 0 | 0 | 0 | 113.6 | R11 V13 Q20 K23 | R11-D15 IonicContact CZ-OD1 3.45Å; R11-D15 IonicContact NE-OD1 3.3Å; R11-D15 PolarHBondContact NE-OD1 3.25Å; R11-D15 IonicContact NE-OD2 2.73Å; R11-D15 PolarHBondContact NE-OD2 3.48Å; R11-D15 IonicContact NH2-OD1 3.53Å; R11-D15 PolarHBondContact O-N 3.47Å; V13-D15 VanDerWaalsContact C-N 3.26Å; V13-D15 PolarHBondContact O-N 3.43Å; D15-Q20 PolarHBondContact O-NE2 3.31Å; D15-Q20 VanDerWaalsContact O-NE2 3.16Å; D15-K23 IonicContact OD1-NZ 3.76Å; D15-K23 PolarHBondContact OD1-NZ 3.09Å |
| 16 | M | 96.4 | Very high | 91.1 | Very high | 75 Ų | 75 | 98.6 Ų | 98.6 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -64.1 | 143.9 | 176.4 | -63.6 | -163.1 | -92.3 | 0 | 0 | 111.9 | V13 L14 F18 M19 Q20 | V13-M16 HydrophobicContact CB-CE 3.91Å; V13-M16 HydrophobicContact CG1-CE 3.78Å; V13-M16 HydrophobicContact CG2-CE 3.84Å; V13-M16 WeakPolarHBondContact O-CB 3.49Å; V13-M16 PolarHBondContact O-N 3.34Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.19Å; M16-F18 VanDerWaalsContact C-N 3.25Å; M16-F18 HydrophobicContact CB-CD1 3.82Å; M16-F18 HydrophobicContact CB-CE1 3.47Å; M16-F18 VanDerWaalsContact CB-CE1 3.47Å; M16-F18 HydrophobicContact CB-CZ 4.05Å; M16-F18 HydrophobicContact CE-CE1 3.9Å; M16-F18 HydrophobicContact CE-CZ 3.53Å; M16-F18 HydrophobicContact CG-CE1 4.05Å; M16-F18 HydrophobicContact CG-CZ 4.5Å; M16-F18 PolarHBondContact O-N 3.04Å; M16-F18 VanDerWaalsContact O-N 3.15Å; M16-F18 HydrophobicContact SD-CE1 3.42Å; M16-F18 WeakPolarHBondContact SD-CE1 3.2Å; M16-F18 HydrophobicContact SD-CZ 3.74Å; M16-M19 WeakPolarHBondContact O-CA 3.25Å; M16-M19 PolarHBondContact O-N 2.92Å; M16-Q20 PolarHBondContact O-NE2 3.04Å |
| 17 | K | 96 | Very high | 91.9 | Very high | 201 Ų | 201 | 95.2 Ų | 95.2 | 87% | 0.874 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -56.4 | -35.1 | -174.5 | -69 | -176 | 177.4 | -179.9 | 0 | 113.9 | M19 Q20 | K17-M19 VanDerWaalsContact C-N 3.3Å; K17-Q20 VanDerWaalsContact O-CG 3.24Å; K17-Q20 WeakPolarHBondContact O-CG 3Å |
| 18 | F | 94.7 | Very high | 92.4 | Very high | 142 Ų | 142 | 95.1 Ų | 95.1 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -77.1 | -18.2 | 178.3 | 66.8 | -89.1 | 0 | 0 | 0 | 113 | M16 | M16-F18 VanDerWaalsContact C-N 3.25Å; M16-F18 HydrophobicContact CB-CD1 3.82Å; M16-F18 HydrophobicContact CB-CE1 3.47Å; M16-F18 VanDerWaalsContact CB-CE1 3.47Å; M16-F18 HydrophobicContact CB-CZ 4.05Å; M16-F18 HydrophobicContact CE-CE1 3.9Å; M16-F18 HydrophobicContact CE-CZ 3.53Å; M16-F18 HydrophobicContact CG-CE1 4.05Å; M16-F18 HydrophobicContact CG-CZ 4.5Å; M16-F18 PolarHBondContact O-N 3.04Å; M16-F18 VanDerWaalsContact O-N 3.15Å; M16-F18 HydrophobicContact SD-CE1 3.42Å; M16-F18 WeakPolarHBondContact SD-CE1 3.2Å; M16-F18 HydrophobicContact SD-CZ 3.74Å |
| 19 | M | 95.5 | Very high | 92.7 | Very high | 41 Ų | 41 | 91.4 Ų | 91.4 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -91.6 | 0.6 | 179.2 | -74.8 | -66.8 | 98.1 | 0 | 0 | 114.1 | V13 M16 K17 R21 T22 K23 | V13-M19 HydrophobicContact CG1-CG 4.36Å; V13-M19 WeakPolarHBondContact O-CB 3.37Å; V13-M19 WeakPolarHBondContact O-CG 3.37Å; M16-M19 WeakPolarHBondContact O-CA 3.25Å; M16-M19 PolarHBondContact O-N 2.92Å; K17-M19 VanDerWaalsContact C-N 3.3Å; M19-R21 VanDerWaalsContact C-N 3.31Å; M19-R21 PolarHBondContact O-N 3.43Å; M19-T22 CarbonylContact O-C 3.58Å; M19-T22 WeakPolarHBondContact O-CA 3.26Å; M19-T22 WeakPolarHBondContact O-CB 3.44Å; M19-T22 PolarHBondContact O-N 3.49Å; M19-T22 HydrophobicContact SD-CG2 4.45Å; M19-K23 PolarHBondContact O-N 2.91Å |
| 20 | Q | 93.2 | Very high | 92.8 | Very high | 82 Ų | 82 | 87.9 Ų | 87.9 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.5 | -40.8 | -176.1 | -63.8 | -63.3 | -29.8 | 0 | 0 | 113.2 | D15 M16 K17 T22 K23 V24 | D15-Q20 PolarHBondContact O-NE2 3.31Å; D15-Q20 VanDerWaalsContact O-NE2 3.16Å; M16-Q20 PolarHBondContact O-NE2 3.04Å; K17-Q20 VanDerWaalsContact O-CG 3.24Å; K17-Q20 WeakPolarHBondContact O-CG 3Å; Q20-T22 VanDerWaalsContact C-N 3.33Å; Q20-T22 PolarHBondContact O-N 3.26Å; Q20-K23 PolarHBondContact O-N 3.28Å; Q20-V24 WeakPolarHBondContact O-CG2 3.05Å; Q20-V24 PolarHBondContact O-N 3.35Å |
| 21 | R | 93.9 | Very high | 92.7 | Very high | 216 Ų | 216 | 89.1 Ų | 89.1 | 82% | 0.815 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 174.3 | -68.5 | -177 | -179.4 | 171.5 | 0.2 | 112.4 | M19 K25 | M19-R21 VanDerWaalsContact C-N 3.31Å; M19-R21 PolarHBondContact O-N 3.43Å; R21-K25 WeakPolarHBondContact O-CG 3.43Å; R21-K25 PolarHBondContact O-N 3.49Å |
| 22 | T | 93.2 | Very high | 92.7 | Very high | 48 Ų | 48 | 87.1 Ų | 87.1 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.4 | -40.4 | 177.4 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | L9 L14 M19 Q20 K25 V26 | L9-T22 HydrophobicContact CD1-CG2 4.43Å; L14-T22 HydrophobicContact CD2-CG2 4.14Å; M19-T22 CarbonylContact O-C 3.58Å; M19-T22 WeakPolarHBondContact O-CA 3.26Å; M19-T22 WeakPolarHBondContact O-CB 3.44Å; M19-T22 PolarHBondContact O-N 3.49Å; M19-T22 HydrophobicContact SD-CG2 4.45Å; Q20-T22 VanDerWaalsContact C-N 3.33Å; Q20-T22 PolarHBondContact O-N 3.26Å; T22-K25 WeakPolarHBondContact O-CB 3.48Å; T22-K25 PolarHBondContact O-N 3.44Å; T22-V26 HydrophobicContact CG2-CG2 4.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.05Å; T22-V26 PolarHBondContact O-N 2.99Å |
| 23 | K | 94.2 | Very high | 92.4 | Very high | 33 Ų | 33 | 90.2 Ų | 90.2 | 14% | 0.143 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 175.2 | 179 | 177.1 | 173.1 | 172.9 | 0 | 111.3 | L14 D15 M19 Q20 K25 V26 E27 | L14-K23 HydrophobicContact CB-CB 4.38Å; D15-K23 IonicContact OD1-NZ 3.76Å; D15-K23 PolarHBondContact OD1-NZ 3.09Å; M19-K23 PolarHBondContact O-N 2.91Å; Q20-K23 PolarHBondContact O-N 3.28Å; K23-K25 VanDerWaalsContact C-N 3.28Å; K23-K25 PolarHBondContact O-N 3.04Å; K23-V26 PolarHBondContact O-N 3.05Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.35Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.23Å; K23-E27 PolarHBondContact O-N 3.11Å |
| 24 | V | 93.4 | Very high | 92.1 | Very high | 94 Ų | 94 | 93.8 Ų | 93.8 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.4 | -40.4 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | Q20 K28 | Q20-V24 WeakPolarHBondContact O-CG2 3.05Å; Q20-V24 PolarHBondContact O-N 3.35Å; V24-K28 VanDerWaalsContact O-CB 3.26Å; V24-K28 WeakPolarHBondContact O-CB 3.13Å; V24-K28 PolarHBondContact O-N 3.42Å |
| 25 | K | 92.6 | Very high | 91.7 | Very high | 156 Ų | 156 | 95.4 Ų | 95.4 | 68% | 0.678 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.7 | -44.8 | 176.4 | -72.6 | 179.5 | -179.9 | -172.6 | 0 | 112.8 | R21 T22 K23 K28 E29 | R21-K25 WeakPolarHBondContact O-CG 3.43Å; R21-K25 PolarHBondContact O-N 3.49Å; T22-K25 WeakPolarHBondContact O-CB 3.48Å; T22-K25 PolarHBondContact O-N 3.44Å; K23-K25 VanDerWaalsContact C-N 3.28Å; K23-K25 PolarHBondContact O-N 3.04Å; K25-K28 PolarHBondContact O-N 3.46Å; K25-E29 PolarHBondContact O-N 3.45Å |
| 26 | V | 91.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 100.7 Ų | 100.7 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | -179.3 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L14 T22 K23 E29 A30 | L14-V26 HydrophobicContact CD1-CG1 4.15Å; L14-V26 HydrophobicContact CD2-CG2 4.38Å; T22-V26 HydrophobicContact CG2-CG2 4.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.05Å; T22-V26 PolarHBondContact O-N 2.99Å; K23-V26 PolarHBondContact O-N 3.05Å; V26-E29 PolarHBondContact O-N 3.32Å; V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 3.23Å |
| 27 | E | 91.1 | Very high | 90.6 | Very high | 71 Ų | 71 | 100.2 Ų | 100.2 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 175 | -72.9 | 175.3 | 170 | 0 | 0 | 110.3 | R11 K23 E29 A30 D31 | R11-E27 IonicContact CZ-OE1 2.78Å; R11-E27 IonicContact NH1-OE1 2.89Å; R11-E27 PolarHBondContact NH1-OE1 3.44Å; R11-E27 IonicContact NH2-OE1 3.22Å; R11-E27 PolarHBondContact NH2-OE1 3.39Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.35Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.23Å; K23-E27 PolarHBondContact O-N 3.11Å; E27-E29 PolarHBondContact O-N 3.31Å; E27-A30 PolarHBondContact O-N 2.88Å; E27-A30 VanDerWaalsContact O-N 3.16Å; E27-D31 VanDerWaalsContact O-CG 3.29Å; E27-D31 PolarHBondContact O-N 3.45Å |
| 28 | K | 91.8 | Very high | 90.1 | Very high | 133 Ų | 133 | 96.8 Ų | 96.8 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.7 | -45.4 | 173.4 | -175.2 | 178.7 | 179 | -179.7 | 0 | 112.9 | V24 K25 A30 D31 D32 | V24-K28 VanDerWaalsContact O-CB 3.26Å; V24-K28 WeakPolarHBondContact O-CB 3.13Å; V24-K28 PolarHBondContact O-N 3.42Å; K25-K28 PolarHBondContact O-N 3.46Å; K28-A30 VanDerWaalsContact C-N 3.32Å; K28-A30 PolarHBondContact O-N 3.16Å; K28-D31 PolarHBondContact O-N 3.1Å; K28-D32 WeakPolarHBondContact O-CB 3.38Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 2.97Å |
| 29 | E | 90.1 | Very high | 89.5 | Confident | 116 Ų | 116 | 95.9 Ų | 95.9 | 54% | 0.542 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.6 | -174.1 | -179.8 | -178.4 | 0 | 0 | 111.8 | K25 V26 E27 D32 E33 | K25-E29 PolarHBondContact O-N 3.45Å; V26-E29 PolarHBondContact O-N 3.32Å; E27-E29 PolarHBondContact O-N 3.31Å; E29-D32 PolarHBondContact O-N 3.06Å; E29-E33 WeakPolarHBondContact O-CB 3.41Å; E29-E33 PolarHBondContact O-N 3.24Å |
| 30 | A | 89 | Confident | 88.7 | Confident | 22 Ų | 22 | 97.5 Ų | 97.5 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V26 E27 K28 E33 Q34 | V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 3.23Å; E27-A30 PolarHBondContact O-N 2.88Å; E27-A30 VanDerWaalsContact O-N 3.16Å; K28-A30 VanDerWaalsContact C-N 3.32Å; K28-A30 PolarHBondContact O-N 3.16Å; A30-E33 PolarHBondContact O-N 3.44Å; A30-Q34 WeakPolarHBondContact O-CB 3.25Å; A30-Q34 VanDerWaalsContact O-CG 3.24Å; A30-Q34 WeakPolarHBondContact O-CG 3.39Å; A30-Q34 PolarHBondContact O-N 3.3Å |
| 31 | D | 90.3 | Very high | 88.2 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 175.9 | -67.4 | -13.8 | 0 | 0 | 0 | 111.4 | E27 K28 Q34 S35 | E27-D31 VanDerWaalsContact O-CG 3.29Å; E27-D31 PolarHBondContact O-N 3.45Å; K28-D31 PolarHBondContact O-N 3.1Å; D31-Q34 PolarHBondContact O-N 2.84Å; D31-S35 VanDerWaalsContact O-CB 3.25Å; D31-S35 WeakPolarHBondContact O-CB 3.41Å; D31-S35 PolarHBondContact O-N 2.82Å; D31-S35 PolarHBondContact O-OG 2.89Å |
| 32 | D | 87.9 | Confident | 87.5 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 174.3 | -71.7 | -19.6 | 0 | 0 | 0 | 111.3 | K28 E29 S35 R36 | K28-D32 WeakPolarHBondContact O-CB 3.38Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 2.97Å; E29-D32 PolarHBondContact O-N 3.06Å; D32-S35 WeakPolarHBondContact CA-OG 3.5Å; D32-S35 PolarHBondContact O-OG 3.34Å; D32-R36 WeakPolarHBondContact O-CB 3.48Å; D32-R36 PolarHBondContact O-N 3.16Å |
| 33 | E | 86.3 | Confident | 86.8 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 176.9 | -169.3 | 159.5 | -141.8 | 0 | 0 | 111.8 | E29 A30 A37 | E29-E33 WeakPolarHBondContact O-CB 3.41Å; E29-E33 PolarHBondContact O-N 3.24Å; A30-E33 PolarHBondContact O-N 3.44Å; E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.04Å |
| 34 | Q | 86.6 | Confident | 86.1 | Confident | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -46.1 | 174.3 | -76.3 | 177.1 | 45.7 | 0 | 0 | 112.1 | A30 D31 R36 A37 L38 | A30-Q34 WeakPolarHBondContact O-CB 3.25Å; A30-Q34 VanDerWaalsContact O-CG 3.24Å; A30-Q34 WeakPolarHBondContact O-CG 3.39Å; A30-Q34 PolarHBondContact O-N 3.3Å; D31-Q34 PolarHBondContact O-N 2.84Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.13Å; Q34-A37 PolarHBondContact O-N 3.39Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; Q34-L38 VanDerWaalsContact O-CG 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.34Å; Q34-L38 PolarHBondContact O-N 2.82Å |
| 35 | S | 84.2 | Confident | 85.4 | Confident | 45 Ų | 45 | 104.4 Ų | 104.4 | 32% | 0.315 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 111 | D31 D32 A37 L38 Y39 | D31-S35 VanDerWaalsContact O-CB 3.25Å; D31-S35 WeakPolarHBondContact O-CB 3.41Å; D31-S35 PolarHBondContact O-N 2.82Å; D31-S35 PolarHBondContact O-OG 2.89Å; D32-S35 WeakPolarHBondContact CA-OG 3.5Å; D32-S35 PolarHBondContact O-OG 3.34Å; S35-A37 VanDerWaalsContact C-N 3.3Å; S35-A37 PolarHBondContact O-N 3.5Å; S35-L38 PolarHBondContact O-N 2.79Å; S35-Y39 WeakPolarHBondContact O-CD2 3.33Å; S35-Y39 PolarHBondContact O-N 2.8Å |
| 36 | R | 83.3 | Confident | 84.6 | Confident | 181 Ų | 181 | 105.9 Ų | 105.9 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | 174.2 | -172.2 | 172.4 | -174.7 | 159 | 3 | 112.8 | D32 Q34 S40 | D32-R36 WeakPolarHBondContact O-CB 3.48Å; D32-R36 PolarHBondContact O-N 3.16Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.13Å; R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.15Å |
| 37 | A | 84.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 109.5 Ų | 109.5 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72 | -35.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E33 Q34 S35 S40 | E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.04Å; Q34-A37 PolarHBondContact O-N 3.39Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; S35-A37 VanDerWaalsContact C-N 3.3Å; S35-A37 PolarHBondContact O-N 3.5Å; A37-S40 PolarHBondContact O-OG 3.25Å; A37-S40 VanDerWaalsContact O-OG 3.04Å |
| 38 | L | 84.2 | Confident | 83.2 | Confident | 129 Ų | 129 | 111.1 Ų | 111.1 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.1 | -45.3 | 176 | -72.9 | 169.2 | 0 | 0 | 0 | 111.5 | Q34 S35 | Q34-L38 VanDerWaalsContact O-CG 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.34Å; Q34-L38 PolarHBondContact O-N 2.82Å; S35-L38 PolarHBondContact O-N 2.79Å |
| 39 | Y | 82 | Confident | 82.5 | Confident | 124 Ų | 124 | 110.3 Ų | 110.3 | 49% | 0.486 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -89.2 | 4.2 | -178.7 | -60.6 | -64.8 | 0 | 0 | 0 | 114.1 | S35 N41 E42 I43 | S35-Y39 WeakPolarHBondContact O-CD2 3.33Å; S35-Y39 PolarHBondContact O-N 2.8Å; Y39-N41 PolarHBondContact O-N 3.42Å; Y39-N41 VanDerWaalsContact O-N 3.13Å; Y39-E42 WeakPolarHBondContact CD1-OE2 3.24Å; Y39-E42 PolarHBondContact O-N 3.16Å; Y39-I43 WeakPolarHBondContact O-CG1 3.31Å; Y39-I43 PolarHBondContact O-N 3.03Å |
| 40 | S | 80.6 | Confident | 81.6 | Confident | 74 Ų | 74 | 108.7 Ų | 108.7 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -60.9 | -26.2 | -178.8 | 67 | 0 | 0 | 0 | 0 | 113 | R36 A37 | R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.15Å; A37-S40 PolarHBondContact O-OG 3.25Å; A37-S40 VanDerWaalsContact O-OG 3.04Å |
| 41 | N | 81.1 | Confident | 80.9 | Confident | 148 Ų | 148 | 113.2 Ų | 113.2 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -84.3 | -19.9 | 178.9 | -62.2 | -23.6 | 0 | 0 | 0 | 112.9 | Y39 | Y39-N41 PolarHBondContact O-N 3.42Å; Y39-N41 VanDerWaalsContact O-N 3.13Å |
| 42 | E | 80.1 | Confident | 80.1 | Confident | 136 Ų | 136 | 112.8 Ų | 112.8 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -30.7 | -175.9 | -62 | -177.9 | 173.6 | 0 | 0 | 112.1 | Y39 N44 | Y39-E42 WeakPolarHBondContact CD1-OE2 3.24Å; Y39-E42 PolarHBondContact O-N 3.16Å; E42-N44 PolarHBondContact O-N 3.37Å |
| 43 | I | 78.1 | Confident | 79.8 | Confident | 71 Ų | 71 | 115.4 Ų | 115.4 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | trans | -86.7 | 104.6 | -177.8 | -58.9 | 171.5 | 0 | 0 | 0 | 110.4 | Y39 M47 L48 | Y39-I43 WeakPolarHBondContact O-CG1 3.31Å; Y39-I43 PolarHBondContact O-N 3.03Å; I43-M47 HydrophobicContact CG2-CB 4.33Å; I43-L48 HydrophobicContact CG2-CD1 3.59Å; I43-L48 HydrophobicContact CG2-CG 3.73Å | ||
| 44 | N | 80.2 | Confident | 79.8 | Confident | 110 Ų | 110 | 117.8 Ų | 117.8 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | trans | -69.4 | 147.8 | 172 | -75.6 | -45.6 | 0 | 0 | 0 | 111.9 | E42 K46 M47 L48 | E42-N44 PolarHBondContact O-N 3.37Å; N44-K46 PolarHBondContact O-N 3.41Å; N44-M47 HydrophobicContact CB-CG 4.47Å; N44-M47 WeakPolarHBondContact O-CB 3.32Å; N44-M47 PolarHBondContact O-N 2.79Å; N44-L48 PolarHBondContact O-N 2.92Å | ||
| 45 | Q | 78.3 | Confident | 79.7 | Confident | 154 Ų | 154 | 117.4 Ų | 117.4 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -55.7 | -29.2 | 175.8 | -166.3 | 177.1 | 28.5 | 0 | 0 | 112.9 | M47 L48 N49 | Q45-M47 VanDerWaalsContact C-N 3.29Å; Q45-M47 PolarHBondContact O-N 3.22Å; Q45-L48 PolarHBondContact O-N 3.12Å; Q45-N49 PolarHBondContact O-N 2.86Å |
| 46 | K | 75.7 | Confident | 79.8 | Confident | 186 Ų | 186 | 122 Ų | 122 | 81% | 0.809 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.7 | -30.1 | 174.1 | -67.3 | -176.2 | 179.8 | 179.5 | 0 | 113.2 | N44 S50 | N44-K46 PolarHBondContact O-N 3.41Å; K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 3.11Å |
| 47 | M | 77.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 118.1 Ų | 118.1 | 56% | 0.562 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.3 | -37.5 | 176.9 | -66.4 | 179.9 | 60.5 | 0 | 0 | 112.1 | I43 N44 Q45 N49 S50 | I43-M47 HydrophobicContact CG2-CB 4.33Å; N44-M47 HydrophobicContact CB-CG 4.47Å; N44-M47 WeakPolarHBondContact O-CB 3.32Å; N44-M47 PolarHBondContact O-N 2.79Å; Q45-M47 VanDerWaalsContact C-N 3.29Å; Q45-M47 PolarHBondContact O-N 3.22Å; M47-N49 PolarHBondContact O-N 3.18Å; M47-S50 PolarHBondContact O-N 2.69Å; M47-S50 PolarHBondContact O-OG 3.02Å |
| 48 | L | 76.4 | Confident | 80.4 | Confident | 105 Ų | 105 | 120.5 Ų | 120.5 | 55% | 0.55 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.7 | -34.7 | 175.6 | -77.6 | 134.4 | 0 | 0 | 0 | 112.2 | I43 N44 Q45 | I43-L48 HydrophobicContact CG2-CD1 3.59Å; I43-L48 HydrophobicContact CG2-CG 3.73Å; N44-L48 PolarHBondContact O-N 2.92Å; Q45-L48 PolarHBondContact O-N 3.12Å |
| 49 | N | 76 | Confident | 80.7 | Confident | 117 Ų | 117 | 116.6 Ų | 116.6 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 5.2 | -178.9 | -63.2 | -15.7 | 0 | 0 | 0 | 113.1 | Q45 M47 T51 | Q45-N49 PolarHBondContact O-N 2.86Å; M47-N49 PolarHBondContact O-N 3.18Å; N49-T51 PolarHBondContact O-N 3.04Å |
| 50 | S | 72.4 | Confident | 81.1 | Confident | 81 Ų | 81 | 120 Ų | 120 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | trans | -75.6 | 84.7 | 176.4 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | K46 M47 S52 | K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 3.11Å; M47-S50 PolarHBondContact O-N 2.69Å; M47-S50 PolarHBondContact O-OG 3.02Å; S50-S52 PolarHBondContact O-N 2.94Å | ||
| 51 | T | 72.3 | Confident | 81.5 | Confident | 118 Ų | 118 | 119.3 Ų | 119.3 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | trans | -64.6 | 109.8 | 157.5 | 53.1 | 0 | 0 | 0 | 0 | 106.2 | N49 N53 | N49-T51 PolarHBondContact O-N 3.04Å; T51-N53 PolarHBondContact O-N 2.78Å | ||
| 52 | S | 74.3 | Confident | 81.9 | Confident | 87 Ų | 87 | 117.6 Ų | 117.6 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | trans | -59.8 | 127 | 169.4 | 57.1 | 0 | 0 | 0 | 0 | 107.6 | S50 F54 | S50-S52 PolarHBondContact O-N 2.94Å; S52-F54 VanDerWaalsContact CB-O 3.3Å; S52-F54 WeakPolarHBondContact CB-O 3.24Å; S52-F54 PolarHBondContact O-N 3.44Å; S52-F54 VanDerWaalsContact O-N 3.11Å; S52-F54 PolarHBondContact OG-O 3.32Å | ||
| 53 | N | 82.2 | Confident | 82.2 | Confident | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -64.4 | -15.8 | 178.3 | -64.4 | -36 | 0 | 0 | 0 | 112.2 | T51 | T51-N53 PolarHBondContact O-N 2.78Š|
| 54 | F | 86 | Confident | 82.8 | Confident | 166 Ų | 166 | 115.9 Ų | 115.9 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | trans | -126.4 | 141.6 | -179.7 | -50.3 | -73.3 | 0 | 0 | 0 | 109.1 | S52 | S52-F54 VanDerWaalsContact CB-O 3.3Å; S52-F54 WeakPolarHBondContact CB-O 3.24Å; S52-F54 PolarHBondContact O-N 3.44Å; S52-F54 VanDerWaalsContact O-N 3.11Å; S52-F54 PolarHBondContact OG-O 3.32Å | ||
| 55 | V | 84.2 | Confident | 83.2 | Confident | 112 Ų | 112 | 113.6 Ų | 113.6 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | trans | -111.3 | 123.2 | 168.9 | 179.9 | 0 | 0 | 0 | 0 | 106 | E57 | V55-E57 HydrophobicContact CG1-CG 4.25Š| ||
| 56 | V | 87.7 | Confident | 83.7 | Confident | 140 Ų | 140 | 111.3 Ų | 111.3 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | trans | -96.1 | 102.9 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 57 | E | 88.4 | Confident | 84.3 | Confident | 101 Ų | 101 | 107.5 Ų | 107.5 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | trans | -88.6 | 129.3 | 173.1 | -75.3 | -63.1 | 163.3 | 0 | 0 | 110 | V55 S59 I62 | V55-E57 HydrophobicContact CG1-CG 4.25Å; E57-S59 VanDerWaalsContact C-N 3.31Å; E57-I62 HydrophobicContact CG-CD1 4.25Å | ||
| 58 | S | 90.8 | Very high | 84.7 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -77.1 | -21.2 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 59 | S | 90.7 | Very high | 85.3 | Confident | 47 Ų | 47 | 105.1 Ų | 105.1 | 33% | 0.329 | 63% | 0.626 | S | S | . | * | trans | -94.6 | 126.5 | -176.8 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | E57 S61 | E57-S59 VanDerWaalsContact C-N 3.31Å; S59-S61 PolarHBondContact O-N 3.24Å; S59-S61 PolarHBondContact OG-N 3.37Å; S59-S61 PolarHBondContact OG-OG 3.48Å | ||
| 60 | Y | 90.6 | Very high | 86.1 | Confident | 195 Ų | 195 | 108.1 Ų | 108.1 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.7 | -19.8 | 172.5 | -61.9 | -78.5 | 0 | 0 | 0 | 113.1 | I62 C63 A64 | Y60-I62 VanDerWaalsContact C-N 3.27Å; Y60-I62 PolarHBondContact O-N 2.74Å; Y60-C63 PolarHBondContact O-N 2.9Å; Y60-A64 WeakPolarHBondContact O-CB 3.4Å; Y60-A64 PolarHBondContact O-N 2.83Å |
| 61 | S | 89.7 | Confident | 87 | Confident | 59 Ų | 59 | 107.7 Ų | 107.7 | 41% | 0.413 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.5 | -36.1 | -175.8 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | S59 G65 L66 | S59-S61 PolarHBondContact O-N 3.24Å; S59-S61 PolarHBondContact OG-N 3.37Å; S59-S61 PolarHBondContact OG-OG 3.48Å; S61-G65 WeakPolarHBondContact O-CA 3.01Å; S61-G65 PolarHBondContact O-N 2.97Å; S61-G65 VanDerWaalsContact O-N 3.1Å; S61-L66 PolarHBondContact O-N 3.45Å |
| 62 | I | 87.9 | Confident | 88 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.1 | -47 | 177.9 | -58.3 | 171.9 | 0 | 0 | 0 | 109.8 | E57 Y60 A64 G65 | E57-I62 HydrophobicContact CG-CD1 4.25Å; Y60-I62 VanDerWaalsContact C-N 3.27Å; Y60-I62 PolarHBondContact O-N 2.74Å; I62-A64 PolarHBondContact O-N 3.37Å; I62-G65 PolarHBondContact O-N 2.73Å |
| 63 | C | 87.7 | Confident | 88.8 | Confident | 103 Ų | 103 | 105 Ų | 105 | 70% | 0.696 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.8 | -38.9 | -177.4 | -62.1 | 0 | 0 | 0 | 0 | 113 | Y60 | Y60-C63 PolarHBondContact O-N 2.9Å |
| 64 | A | 90 | Very high | 89.3 | Confident | 68 Ų | 68 | 110.3 Ų | 110.3 | 56% | 0.562 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -2.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y60 I62 L66 | Y60-A64 WeakPolarHBondContact O-CB 3.4Å; Y60-A64 PolarHBondContact O-N 2.83Å; I62-A64 PolarHBondContact O-N 3.37Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 HydrophobicContact CB-CD2 4.18Å; A64-L66 HydrophobicContact CB-CG 3.97Å; A64-L66 PolarHBondContact O-N 3.32Å |
| 65 | G | 87.9 | Confident | 89.6 | Confident | 61 Ų | 61 | 104.6 Ų | 104.6 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.2 | 36.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S61 I62 | S61-G65 WeakPolarHBondContact O-CA 3.01Å; S61-G65 PolarHBondContact O-N 2.97Å; S61-G65 VanDerWaalsContact O-N 3.1Å; I62-G65 PolarHBondContact O-N 2.73Å |
| 66 | L | 89 | Confident | 90 | Very high | 106 Ų | 106 | 107.4 Ų | 107.4 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 140.7 | -175.6 | -61.4 | 179 | 0 | 0 | 0 | 111.5 | S61 A64 | S61-L66 PolarHBondContact O-N 3.45Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 HydrophobicContact CB-CD2 4.18Å; A64-L66 HydrophobicContact CB-CG 3.97Å; A64-L66 PolarHBondContact O-N 3.32Å |
| 67 | I | 88.2 | Confident | 90.2 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 54% | 0.544 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 165.9 | 169.1 | 62.2 | 175.9 | 0 | 0 | 0 | 110.6 | L71 | I67-L71 HydrophobicContact CD1-CD1 4Å; I67-L71 HydrophobicContact CD1-CD2 3.8Å |
| 68 | D | 87.3 | Confident | 90.5 | Very high | 98 Ų | 98 | 103.2 Ų | 103.2 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 142.8 | 171.4 | -172.4 | 25.9 | 0 | 0 | 0 | 110.2 | R70 | D68-R70 VanDerWaalsContact C-N 3.26Å; D68-R70 PolarHBondContact O-N 3.01Å |
| 69 | G | 89.1 | Confident | 90.6 | Very high | 71 Ų | 71 | 104.6 Ų | 104.6 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -75.4 | -14.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L71 | G69-L71 PolarHBondContact O-N 3.43Š|
| 70 | R | 91.1 | Very high | 90.7 | Very high | 181 Ų | 181 | 104.6 Ų | 104.6 | 68% | 0.683 | 56% | 0.564 | S | S | * | * | trans | -82.6 | 99.1 | 177.9 | -67.6 | -175.8 | 175.3 | -143.7 | -0.9 | 109.7 | D68 | D68-R70 VanDerWaalsContact C-N 3.26Å; D68-R70 PolarHBondContact O-N 3.01Å | ||
| 71 | L | 91.7 | Very high | 90.8 | Very high | 72 Ų | 72 | 98 Ų | 98 | 38% | 0.377 | 54% | 0.541 | S | S | . | . | trans | -115.5 | 140.6 | 178.5 | -53.7 | 174.6 | 0 | 0 | 0 | 110.1 | I67 G69 F73 M84 | I67-L71 HydrophobicContact CD1-CD1 4Å; I67-L71 HydrophobicContact CD1-CD2 3.8Å; G69-L71 PolarHBondContact O-N 3.43Å; L71-F73 HydrophobicContact CB-CE2 3.81Å; L71-F73 HydrophobicContact CB-CZ 3.79Å; L71-F73 HydrophobicContact CD1-CE2 4.48Å; L71-F73 HydrophobicContact CD1-CZ 3.99Å; L71-F73 HydrophobicContact CG-CZ 4.45Å; L71-M84 HydrophobicContact CB-CE 4.37Å; L71-M84 HydrophobicContact CB-SD 4.32Å; L71-M84 HydrophobicContact CD2-CE 3.4Å; L71-M84 VanDerWaalsContact CD2-CE 3.4Å; L71-M84 HydrophobicContact CD2-SD 3.89Å; L71-M84 HydrophobicContact CG-CE 4.46Å | ||
| 72 | S | 92.7 | Very high | 91 | Very high | 9 Ų | 9 | 99.3 Ų | 99.3 | 6% | 0.063 | 54% | 0.542 | C | S | . | . | trans | -126.1 | 150.5 | 166.2 | -163.2 | 0 | 0 | 0 | 0 | 109.1 | N77 | S72-N77 WeakPolarHBondContact OG-CB 3.4Å; S72-N77 PolarHBondContact OG-N 2.84Å | ||
| 73 | F | 91.6 | Very high | 91.2 | Very high | 138 Ų | 138 | 98 Ų | 98 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | trans | -140.1 | 150.3 | -179.7 | -54.5 | -76.2 | 0 | 0 | 0 | 109.7 | L71 G75 M76 E81 | L71-F73 HydrophobicContact CB-CE2 3.81Å; L71-F73 HydrophobicContact CB-CZ 3.79Å; L71-F73 HydrophobicContact CD1-CE2 4.48Å; L71-F73 HydrophobicContact CD1-CZ 3.99Å; L71-F73 HydrophobicContact CG-CZ 4.45Å; F73-G75 VanDerWaalsContact C-N 3.3Å; F73-G75 PolarHBondContact O-N 2.78Å; F73-M76 WeakPolarHBondContact O-CB 3.26Å; F73-M76 PolarHBondContact O-N 2.98Å; F73-E81 WeakPolarHBondContact CA-OE1 3.4Å; F73-E81 PolarHBondContact N-OE1 2.93Å | ||
| 74 | R | 93.5 | Very high | 91.3 | Very high | 255 Ų | 255 | 95.3 Ų | 95.3 | 96% | 0.962 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 35.4 | 171.3 | -57.6 | -175.8 | 169 | -177.8 | -3.2 | 113.7 | M76 E81 | R74-M76 VanDerWaalsContact C-N 3.29Å; R74-M76 PolarHBondContact O-N 3.3Å; R74-E81 PolarHBondContact N-OE1 3.5Å |
| 75 | G | 91.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 98.5 Ų | 98.5 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 15.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F73 N77 E81 | F73-G75 VanDerWaalsContact C-N 3.3Å; F73-G75 PolarHBondContact O-N 2.78Å; G75-N77 PolarHBondContact O-N 3.32Å; G75-E81 WeakPolarHBondContact CA-OE1 3.4Å; G75-E81 PolarHBondContact N-OE1 3.25Å; G75-E81 PolarHBondContact N-OE2 3.19Å |
| 76 | M | 92.2 | Very high | 91.5 | Very high | 172 Ų | 172 | 100.4 Ų | 100.4 | 85% | 0.847 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -66.1 | -29.7 | 177.9 | -170.6 | 177.8 | -173.5 | 0 | 0 | 111.7 | F73 R74 | F73-M76 WeakPolarHBondContact O-CB 3.26Å; F73-M76 PolarHBondContact O-N 2.98Å; R74-M76 VanDerWaalsContact C-N 3.29Å; R74-M76 PolarHBondContact O-N 3.3Å |
| 77 | N | 93 | Very high | 91.6 | Very high | 62 Ų | 62 | 98.3 Ų | 98.3 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -148.9 | 94.2 | 170.2 | -170.8 | -19.4 | 0 | 0 | 0 | 110.2 | S72 G75 E79 L80 E81 | S72-N77 WeakPolarHBondContact OG-CB 3.4Å; S72-N77 PolarHBondContact OG-N 2.84Å; G75-N77 PolarHBondContact O-N 3.32Å; N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 2.89Å; N77-E79 PolarHBondContact OD1-N 3.47Å; N77-L80 HydrophobicContact CB-CB 4.16Å; N77-L80 HydrophobicContact CB-CD1 4.08Å; N77-L80 HydrophobicContact CB-CG 4.28Å; N77-L80 WeakPolarHBondContact ND2-CD1 3.39Å; N77-L80 WeakPolarHBondContact ND2-CG 3.39Å; N77-L80 PolarHBondContact O-N 3.16Å; N77-L80 PolarHBondContact OD1-N 2.95Å; N77-E81 PolarHBondContact O-N 3.4Å; N77-E81 VanDerWaalsContact O-N 3.1Å |
| 78 | P | 93.6 | Very high | 91.6 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -31.2 | -174.1 | 25.5 | -34.2 | 0 | 0 | 0 | 113.5 | L80 E81 L82 | P78-L80 VanDerWaalsContact C-N 3.34Å; P78-L80 PolarHBondContact O-N 3.47Å; P78-E81 PolarHBondContact O-N 3.3Å; P78-L82 WeakPolarHBondContact O-CB 3.41Å; P78-L82 PolarHBondContact O-N 2.91Å |
| 79 | E | 92.8 | Very high | 91.6 | Very high | 145 Ų | 145 | 95.8 Ų | 95.8 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 176.6 | -64 | -73 | 170.1 | 0 | 0 | 111.3 | N77 L83 | N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 2.89Å; N77-E79 PolarHBondContact OD1-N 3.47Å; E79-L83 PolarHBondContact O-N 3.46Å; E79-L83 VanDerWaalsContact O-N 3.13Å |
| 80 | L | 93.3 | Very high | 91.6 | Very high | 46 Ų | 46 | 97.3 Ų | 97.3 | 24% | 0.241 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70.5 | -40.2 | 175.4 | -74.2 | -179.9 | 0 | 0 | 0 | 112.1 | N77 P78 L82 L83 M84 | N77-L80 HydrophobicContact CB-CB 4.16Å; N77-L80 HydrophobicContact CB-CD1 4.08Å; N77-L80 HydrophobicContact CB-CG 4.28Å; N77-L80 WeakPolarHBondContact ND2-CD1 3.39Å; N77-L80 WeakPolarHBondContact ND2-CG 3.39Å; N77-L80 PolarHBondContact O-N 3.16Å; N77-L80 PolarHBondContact OD1-N 2.95Å; P78-L80 VanDerWaalsContact C-N 3.34Å; P78-L80 PolarHBondContact O-N 3.47Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.95Å; L80-L83 PolarHBondContact O-N 2.96Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 VanDerWaalsContact O-CG 3.28Å; L80-M84 WeakPolarHBondContact O-CG 3.36Å; L80-M84 PolarHBondContact O-N 2.99Å |
| 81 | E | 93 | Very high | 91.2 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 27% | 0.271 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.8 | -67 | -178.3 | -179.6 | 0 | 0 | 111.3 | F73 R74 G75 N77 P78 M84 E85 | F73-E81 WeakPolarHBondContact CA-OE1 3.4Å; F73-E81 PolarHBondContact N-OE1 2.93Å; R74-E81 PolarHBondContact N-OE1 3.5Å; G75-E81 WeakPolarHBondContact CA-OE1 3.4Å; G75-E81 PolarHBondContact N-OE1 3.25Å; G75-E81 PolarHBondContact N-OE2 3.19Å; N77-E81 PolarHBondContact O-N 3.4Å; N77-E81 VanDerWaalsContact O-N 3.1Å; P78-E81 PolarHBondContact O-N 3.3Å; E81-M84 PolarHBondContact O-N 3.5Å; E81-E85 PolarHBondContact O-N 2.86Å |
| 82 | L | 93.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 96.8 Ų | 96.8 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174 | 179.8 | 63.8 | 0 | 0 | 0 | 112 | P78 L80 E85 Q86 | P78-L82 WeakPolarHBondContact O-CB 3.41Å; P78-L82 PolarHBondContact O-N 2.91Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.95Å; L82-E85 PolarHBondContact O-N 2.98Å; L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.44Å |
| 83 | L | 92.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 45% | 0.445 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.8 | -175.1 | 64.2 | 0 | 0 | 0 | 111.5 | E79 L80 E85 Q86 D87 | E79-L83 PolarHBondContact O-N 3.46Å; E79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 2.96Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.04Å; L83-Q86 PolarHBondContact O-N 3.1Å; L83-D87 PolarHBondContact O-N 3.01Å |
| 84 | M | 91.5 | Very high | 89.3 | Confident | 48 Ų | 48 | 101.6 Ų | 101.6 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.3 | -73.8 | 176.1 | 58.7 | 0 | 0 | 112 | L71 L80 E81 L88 | L71-M84 HydrophobicContact CB-CE 4.37Å; L71-M84 HydrophobicContact CB-SD 4.32Å; L71-M84 HydrophobicContact CD2-CE 3.4Å; L71-M84 VanDerWaalsContact CD2-CE 3.4Å; L71-M84 HydrophobicContact CD2-SD 3.89Å; L71-M84 HydrophobicContact CG-CE 4.46Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 VanDerWaalsContact O-CG 3.28Å; L80-M84 WeakPolarHBondContact O-CG 3.36Å; L80-M84 PolarHBondContact O-N 2.99Å; E81-M84 PolarHBondContact O-N 3.5Å; M84-L88 VanDerWaalsContact O-CG 3.31Å; M84-L88 WeakPolarHBondContact O-CG 3.2Å; M84-L88 PolarHBondContact O-N 3.38Å; M84-L88 VanDerWaalsContact O-N 3.09Å |
| 85 | E | 90.6 | Very high | 88 | Confident | 134 Ų | 134 | 94 Ų | 94 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 176.2 | -173.8 | 174.8 | -165 | 0 | 0 | 111.8 | E81 L82 L83 L88 A89 | E81-E85 PolarHBondContact O-N 2.86Å; L82-E85 PolarHBondContact O-N 2.98Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.04Å; E85-L88 PolarHBondContact O-N 2.88Å; E85-A89 WeakPolarHBondContact O-CB 3.48Å; E85-A89 PolarHBondContact O-N 2.84Å |
| 86 | Q | 91.6 | Very high | 86.6 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.6 | -71.8 | 175.3 | 3.5 | 0 | 0 | 112 | L82 L83 L88 A89 E90 | L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.44Å; L83-Q86 PolarHBondContact O-N 3.1Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.08Å; Q86-A89 WeakPolarHBondContact O-CB 3.34Å; Q86-A89 PolarHBondContact O-N 2.92Å; Q86-E90 PolarHBondContact O-N 3.4Å |
| 87 | D | 89.7 | Confident | 85.2 | Confident | 63 Ų | 63 | 99.7 Ų | 99.7 | 34% | 0.337 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 177 | -85.8 | -3.4 | 0 | 0 | 0 | 112.3 | L83 K91 | L83-D87 PolarHBondContact O-N 3.01Å; D87-K91 WeakPolarHBondContact O-CB 3.32Å; D87-K91 VanDerWaalsContact O-CG 3.27Å; D87-K91 WeakPolarHBondContact O-CG 3.39Å; D87-K91 PolarHBondContact O-N 3.25Å |
| 88 | L | 87.9 | Confident | 83.9 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 174.1 | -72.6 | 173.8 | 0 | 0 | 0 | 111.3 | M84 E85 Q86 K91 Q92 | M84-L88 VanDerWaalsContact O-CG 3.31Å; M84-L88 WeakPolarHBondContact O-CG 3.2Å; M84-L88 PolarHBondContact O-N 3.38Å; M84-L88 VanDerWaalsContact O-N 3.09Å; E85-L88 PolarHBondContact O-N 2.88Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.08Å; L88-K91 PolarHBondContact O-N 2.87Å; L88-Q92 WeakPolarHBondContact O-CG 3.19Å; L88-Q92 PolarHBondContact O-N 2.81Å |
| 89 | A | 88.7 | Confident | 82.6 | Confident | 58 Ų | 58 | 109.1 Ų | 109.1 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E85 Q86 Q92 G93 | E85-A89 WeakPolarHBondContact O-CB 3.48Å; E85-A89 PolarHBondContact O-N 2.84Å; Q86-A89 WeakPolarHBondContact O-CB 3.34Å; Q86-A89 PolarHBondContact O-N 2.92Å; A89-Q92 PolarHBondContact O-N 3.45Å; A89-G93 PolarHBondContact O-N 3.15Å |
| 90 | E | 87.5 | Confident | 81.4 | Confident | 103 Ų | 103 | 108 Ų | 108 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 174.5 | -77.5 | -161.4 | -166.5 | 0 | 0 | 112.3 | Q86 Q92 G93 R94 | Q86-E90 PolarHBondContact O-N 3.4Å; E90-Q92 VanDerWaalsContact C-N 3.34Å; E90-Q92 PolarHBondContact O-N 2.85Å; E90-G93 PolarHBondContact O-N 2.9Å; E90-R94 VanDerWaalsContact O-CG 3.31Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.06Å; E90-R94 IonicContact OE2-CZ 3.88Å; E90-R94 IonicContact OE2-NH2 2.93Å; E90-R94 PolarHBondContact OE2-NH2 2.99Å |
| 91 | K | 84.2 | Confident | 80.6 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 44% | 0.439 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -41.8 | 177.6 | -74.9 | 173 | -176.4 | 178 | 0 | 111.3 | D87 L88 R94 T95 | D87-K91 WeakPolarHBondContact O-CB 3.32Å; D87-K91 VanDerWaalsContact O-CG 3.27Å; D87-K91 WeakPolarHBondContact O-CG 3.39Å; D87-K91 PolarHBondContact O-N 3.25Å; L88-K91 PolarHBondContact O-N 2.87Å; K91-R94 PolarHBondContact O-N 2.95Å; K91-T95 PolarHBondContact O-N 3.02Å |
| 92 | Q | 82.2 | Confident | 79.9 | Confident | 141 Ų | 141 | 119 Ų | 119 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.7 | -32.7 | 174.7 | -69.1 | 177.9 | 17.1 | 0 | 0 | 112.7 | L88 A89 E90 T95 | L88-Q92 WeakPolarHBondContact O-CG 3.19Å; L88-Q92 PolarHBondContact O-N 2.81Å; A89-Q92 PolarHBondContact O-N 3.45Å; E90-Q92 VanDerWaalsContact C-N 3.34Å; E90-Q92 PolarHBondContact O-N 2.85Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.1Å; Q92-T95 PolarHBondContact O-OG1 3.13Å |
| 93 | G | 78.9 | Confident | 79.2 | Confident | 58 Ų | 58 | 118.7 Ų | 118.7 | 60% | 0.598 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.2 | -31.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A89 E90 | A89-G93 PolarHBondContact O-N 3.15Å; E90-G93 PolarHBondContact O-N 2.9Å |
| 94 | R | 75.6 | Confident | 78.8 | Confident | 190 Ų | 190 | 117 Ų | 117 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.6 | -30.3 | 176.7 | -72.3 | 177.5 | -164 | -170.6 | 9.8 | 112.7 | E90 K91 R96 | E90-R94 VanDerWaalsContact O-CG 3.31Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.06Å; E90-R94 IonicContact OE2-CZ 3.88Å; E90-R94 IonicContact OE2-NH2 2.93Å; E90-R94 PolarHBondContact OE2-NH2 2.99Å; K91-R94 PolarHBondContact O-N 2.95Å; R94-R96 VanDerWaalsContact C-N 3.3Å; R94-R96 PolarHBondContact O-N 3.06Å |
| 95 | T | 66.2 | Low | 78.5 | Confident | 96 Ų | 96 | 119.2 Ų | 119.2 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -66.5 | 97.3 | 165.2 | 49.3 | 0 | 0 | 0 | 0 | 107.2 | K91 Q92 P97 | K91-T95 PolarHBondContact O-N 3.02Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.1Å; Q92-T95 PolarHBondContact O-OG1 3.13Å; T95-P97 WeakPolarHBondContact O-CD 3.43Å |
| 96 | R | 61.3 | Low | 78.2 | Confident | 226 Ų | 226 | 119.5 Ų | 119.5 | 85% | 0.853 | 61% | 0.607 | S | S | * | * | trans | -46.4 | 119.5 | 174.7 | -88.7 | -177.6 | 166.9 | -165.8 | -3.9 | 107.1 | R94 E98 | R94-R96 VanDerWaalsContact C-N 3.3Å; R94-R96 PolarHBondContact O-N 3.06Å; R96-E98 PolarHBondContact O-N 3.26Å | ||
| 97 | P | 63.1 | Low | 77.9 | Confident | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 60% | 0.603 | S | S | * | * | trans | -54.7 | 125.3 | 170.4 | 23.4 | -31.4 | 0 | 0 | 0 | 105.6 | T95 Q99 | T95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-Q99 PolarHBondContact O-N 3.36Å | ||
| 98 | E | 64.7 | Low | 77.6 | Confident | 179 Ų | 179 | 120.1 Ų | 120.1 | 84% | 0.836 | 61% | 0.612 | S | S | * | * | trans | -50.8 | 114.7 | 173.9 | -70.1 | -164.7 | 156.6 | 0 | 0 | 106 | R96 P100 | R96-E98 PolarHBondContact O-N 3.26Å; E98-P100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | Q | 67.6 | Low | 77.4 | Confident | 172 Ų | 172 | 118.8 Ų | 118.8 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | trans | -54.2 | 130.4 | 177.6 | -70.6 | -166.1 | -46.9 | 0 | 0 | 106.1 | P97 K101 | P97-Q99 PolarHBondContact O-N 3.36Å; Q99-K101 PolarHBondContact O-N 3.38Å | ||
| 100 | P | 67.7 | Low | 77.2 | Confident | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 61% | 0.609 | S | S | * | * | trans | -55.2 | 112.9 | -178.3 | 22.9 | -32.6 | 0 | 0 | 0 | 107 | E98 E102 | E98-P100 VanDerWaalsContact O-N 3.16Å; P100-E102 PolarHBondContact O-N 3.44Å | ||
| 101 | K | 75.1 | Confident | 76.9 | Confident | 135 Ų | 135 | 118.9 Ų | 118.9 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | trans | -64.4 | 113.3 | 176.2 | -68.7 | 177.9 | 177.3 | -178.9 | 0 | 105.9 | Q99 V103 D105 | Q99-K101 PolarHBondContact O-N 3.38Å; K101-V103 PolarHBondContact O-N 3.05Å; K101-V103 VanDerWaalsContact O-N 3.11Å; K101-D105 IonicContact NZ-OD1 3.69Å; K101-D105 PolarHBondContact NZ-OD1 3.44Å; K101-D105 IonicContact NZ-OD2 2.91Å; K101-D105 PolarHBondContact NZ-OD2 2.84Å | ||
| 102 | E | 78.1 | Confident | 76.6 | Confident | 200 Ų | 200 | 120.9 Ų | 120.9 | 94% | 0.935 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -60 | -20.8 | 177.3 | -64.1 | -179 | 177.9 | 0 | 0 | 112.1 | P100 | P100-E102 PolarHBondContact O-N 3.44Š|
| 103 | V | 79.2 | Confident | 76.4 | Confident | 79 Ų | 79 | 122.5 Ų | 122.5 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -126.1 | 122.9 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | K101 D107 M108 | K101-V103 PolarHBondContact O-N 3.05Å; K101-V103 VanDerWaalsContact O-N 3.11Å; V103-D107 HydrophobicContact CG1-CB 3.88Å; V103-M108 HydrophobicContact CG1-CB 4.11Å |
| 104 | S | 84.4 | Confident | 76.1 | Confident | 50 Ų | 50 | 123.3 Ų | 123.3 | 35% | 0.35 | 61% | 0.612 | S | S | . | * | trans | -63.1 | 148.3 | 173.2 | 79.3 | 0 | 0 | 0 | 0 | 110.1 | Q106 D107 M108 | S104-Q106 PolarHBondContact O-N 2.93Å; S104-Q106 VanDerWaalsContact O-N 3.1Å; S104-D107 PolarHBondContact O-N 2.87Å; S104-D107 WeakPolarHBondContact OG-CB 3.49Å; S104-D107 PolarHBondContact OG-N 3.22Å; S104-D107 VanDerWaalsContact OG-N 3.08Å; S104-D107 PolarHBondContact OG-OD2 3.24Å; S104-M108 PolarHBondContact O-N 2.94Å | ||
| 105 | D | 84.1 | Confident | 75.6 | Confident | 94 Ų | 94 | 119.9 Ų | 119.9 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -57.1 | -31.9 | 178.9 | -65.1 | -11.6 | 0 | 0 | 0 | 110.8 | K101 V109 | K101-D105 IonicContact NZ-OD1 3.69Å; K101-D105 PolarHBondContact NZ-OD1 3.44Å; K101-D105 IonicContact NZ-OD2 2.91Å; K101-D105 PolarHBondContact NZ-OD2 2.84Å; D105-V109 WeakPolarHBondContact O-CB 3.44Å; D105-V109 WeakPolarHBondContact O-CG2 3.38Å; D105-V109 PolarHBondContact O-N 2.89Å |
| 106 | Q | 85.2 | Confident | 75.2 | Confident | 140 Ų | 140 | 121.6 Ų | 121.6 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.3 | -40.1 | 174 | -64.6 | -173.2 | -1.6 | 0 | 0 | 112.9 | S104 V109 K110 | S104-Q106 PolarHBondContact O-N 2.93Å; S104-Q106 VanDerWaalsContact O-N 3.1Å; Q106-V109 PolarHBondContact O-N 3.39Å; Q106-K110 VanDerWaalsContact O-CG 3.31Å; Q106-K110 WeakPolarHBondContact O-CG 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å |
| 107 | D | 85.9 | Confident | 74.9 | Confident | 72 Ų | 72 | 113 Ų | 113 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.9 | -32.5 | 179 | -62.3 | -36.3 | 0 | 0 | 0 | 111.7 | V103 S104 V109 K110 A111 | V103-D107 HydrophobicContact CG1-CB 3.88Å; S104-D107 PolarHBondContact O-N 2.87Å; S104-D107 WeakPolarHBondContact OG-CB 3.49Å; S104-D107 PolarHBondContact OG-N 3.22Å; S104-D107 VanDerWaalsContact OG-N 3.08Å; S104-D107 PolarHBondContact OG-OD2 3.24Å; D107-V109 VanDerWaalsContact C-N 3.34Å; D107-K110 PolarHBondContact O-N 2.72Å; D107-K110 IonicContact OD1-NZ 3.54Å; D107-K110 PolarHBondContact OD1-NZ 2.84Å; D107-A111 VanDerWaalsContact O-CB 3.24Å; D107-A111 WeakPolarHBondContact O-CB 3.48Å; D107-A111 PolarHBondContact O-N 3.35Å |
| 108 | M | 83.2 | Confident | 74.5 | Confident | 105 Ų | 105 | 111.6 Ų | 111.6 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.8 | -43.8 | 169.4 | -175.4 | -82.9 | -72.1 | 0 | 0 | 110.8 | V103 S104 A111 Y112 | V103-M108 HydrophobicContact CG1-CB 4.11Å; S104-M108 PolarHBondContact O-N 2.94Å; M108-A111 PolarHBondContact O-N 3.17Å; M108-Y112 WeakPolarHBondContact O-CB 3.38Å; M108-Y112 PolarHBondContact O-N 2.9Å |
| 109 | V | 83.5 | Confident | 74.1 | Confident | 66 Ų | 66 | 107 Ų | 107 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.6 | -48.3 | 174.8 | 169.2 | 0 | 0 | 0 | 0 | 111 | D105 Q106 D107 A111 Y112 Y113 | D105-V109 WeakPolarHBondContact O-CB 3.44Å; D105-V109 WeakPolarHBondContact O-CG2 3.38Å; D105-V109 PolarHBondContact O-N 2.89Å; Q106-V109 PolarHBondContact O-N 3.39Å; D107-V109 VanDerWaalsContact C-N 3.34Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.01Å; V109-Y112 PolarHBondContact O-N 3.24Å; V109-Y113 HydrophobicContact CG1-CD2 3.58Å; V109-Y113 HydrophobicContact CG1-CE2 3.54Å; V109-Y113 WeakPolarHBondContact O-CD2 3.31Å; V109-Y113 PolarHBondContact O-N 3.03Å |
| 110 | K | 84.9 | Confident | 73.6 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.8 | -44 | 175.6 | -71.2 | 170.4 | -162.5 | 157.7 | 0 | 111.4 | Q106 D107 Y112 Y113 A114 | Q106-K110 VanDerWaalsContact O-CG 3.31Å; Q106-K110 WeakPolarHBondContact O-CG 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å; D107-K110 PolarHBondContact O-N 2.72Å; D107-K110 IonicContact OD1-NZ 3.54Å; D107-K110 PolarHBondContact OD1-NZ 2.84Å; K110-Y112 VanDerWaalsContact C-N 3.33Å; K110-Y112 PolarHBondContact O-N 3.32Å; K110-Y113 PolarHBondContact O-N 3.25Å; K110-A114 WeakPolarHBondContact O-CA 3.34Å; K110-A114 WeakPolarHBondContact O-CB 3.27Å; K110-A114 PolarHBondContact O-N 3.44Å |
| 111 | A | 81.1 | Confident | 73.1 | Confident | 44 Ų | 44 | 101.5 Ų | 101.5 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D107 M108 V109 N115 | D107-A111 VanDerWaalsContact O-CB 3.24Å; D107-A111 WeakPolarHBondContact O-CB 3.48Å; D107-A111 PolarHBondContact O-N 3.35Å; M108-A111 PolarHBondContact O-N 3.17Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.01Å; A111-N115 WeakPolarHBondContact O-CA 3.49Å; A111-N115 WeakPolarHBondContact O-CB 3.23Å; A111-N115 PolarHBondContact O-N 3.34Å; A111-N115 PolarHBondContact O-ND2 3.17Å |
| 112 | Y | 77 | Confident | 72.2 | Confident | 144 Ų | 144 | 96.2 Ų | 96.2 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 175.8 | -177 | -98.6 | 0 | 0 | 0 | 112.2 | M108 V109 K110 N115 A117 | M108-Y112 WeakPolarHBondContact O-CB 3.38Å; M108-Y112 PolarHBondContact O-N 2.9Å; V109-Y112 PolarHBondContact O-N 3.24Å; K110-Y112 VanDerWaalsContact C-N 3.33Å; K110-Y112 PolarHBondContact O-N 3.32Å; Y112-N115 CarbonylContact O-C 3.53Å; Y112-A117 HydrophobicContact CE1-CB 4.35Å |
| 113 | Y | 77.1 | Confident | 71.3 | Confident | 174 Ų | 174 | 89.4 Ų | 89.4 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.9 | -40.4 | 177.6 | -74.6 | -66.3 | 0 | 0 | 0 | 113 | V109 K110 K116 | V109-Y113 HydrophobicContact CG1-CD2 3.58Å; V109-Y113 HydrophobicContact CG1-CE2 3.54Å; V109-Y113 WeakPolarHBondContact O-CD2 3.31Å; V109-Y113 PolarHBondContact O-N 3.03Å; K110-Y113 PolarHBondContact O-N 3.25Å; Y113-K116 PolarHBondContact O-N 3.4Å |
| 114 | A | 73.4 | Confident | 70.4 | Confident | 75 Ų | 75 | 90 Ų | 90 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.9 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K110 K116 | K110-A114 WeakPolarHBondContact O-CA 3.34Å; K110-A114 WeakPolarHBondContact O-CB 3.27Å; K110-A114 PolarHBondContact O-N 3.44Å; A114-K116 PolarHBondContact O-N 2.84Å; A114-K116 VanDerWaalsContact O-N 3.13Å |
| 115 | N | 64.9 | Low | 69.4 | Low | 118 Ų | 118 | 90.6 Ų | 90.6 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 46.8 | 172.6 | -57.6 | -58.5 | 0 | 0 | 0 | 111.6 | A111 Y112 | A111-N115 WeakPolarHBondContact O-CA 3.49Å; A111-N115 WeakPolarHBondContact O-CB 3.23Å; A111-N115 PolarHBondContact O-N 3.34Å; A111-N115 PolarHBondContact O-ND2 3.17Å; Y112-N115 CarbonylContact O-C 3.53Å |
| 116 | K | 56.9 | Low | 68.4 | Low | 133 Ų | 133 | 93.8 Ų | 93.8 | 58% | 0.578 | 51% | 0.509 | S | S | * | . | trans | 44 | 89.2 | 152.2 | -72.5 | -167.1 | -175.9 | -174.9 | 0 | 115 | Y113 A114 P118 T119 | Y113-K116 PolarHBondContact O-N 3.4Å; A114-K116 PolarHBondContact O-N 2.84Å; A114-K116 VanDerWaalsContact O-N 3.13Å; K116-P118 VanDerWaalsContact CA-CD 3.5Å; K116-P118 HydrophobicContact CB-CG 3.81Å; K116-P118 HydrophobicContact CD-CG 4.35Å; K116-P118 HydrophobicContact CG-CG 4.25Å; K116-P118 WeakPolarHBondContact O-CD 3.48Å; K116-T119 HydrophobicContact CB-CG2 3.94Å; K116-T119 PolarHBondContact O-N 3.27Å; K116-T119 PolarHBondContact O-OG1 3.3Å | ||
| 117 | A | 56.3 | Low | 67.4 | Low | 44 Ų | 44 | 93.4 Ų | 93.4 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.6 | -16.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y112 S121 | Y112-A117 HydrophobicContact CE1-CB 4.35Å; A117-S121 PolarHBondContact O-OG 2.96Å |
| 118 | P | 54.7 | Low | 66.4 | Low | 81 Ų | 81 | 96.7 Ų | 96.7 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -77.6 | -4.7 | 165.7 | 25.9 | -35.5 | 0 | 0 | 0 | 116 | K116 S121 G122 | K116-P118 VanDerWaalsContact CA-CD 3.5Å; K116-P118 HydrophobicContact CB-CG 3.81Å; K116-P118 HydrophobicContact CD-CG 4.35Å; K116-P118 HydrophobicContact CG-CG 4.25Å; K116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-S121 WeakPolarHBondContact CA-OG 3.3Å; P118-G122 WeakPolarHBondContact O-CA 3.45Å; P118-G122 PolarHBondContact O-N 2.99Å |
| 119 | T | 56.5 | Low | 65.5 | Low | 84 Ų | 84 | 95.7 Ų | 95.7 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -83.3 | -41.3 | -178 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | K116 S123 | K116-T119 HydrophobicContact CB-CG2 3.94Å; K116-T119 PolarHBondContact O-N 3.27Å; K116-T119 PolarHBondContact O-OG1 3.3Å; T119-S123 WeakPolarHBondContact O-CB 3.28Å; T119-S123 PolarHBondContact O-N 2.92Å; T119-S123 PolarHBondContact O-OG 3.11Å; T119-S123 VanDerWaalsContact O-OG 3.11Å |
| 120 | V | 56.4 | Low | 64.5 | Low | 102 Ų | 102 | 96.9 Ų | 96.9 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.8 | -43.2 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | S123 M124 | V120-S123 PolarHBondContact O-OG 3.33Å; V120-M124 PolarHBondContact O-N 3.41Å |
| 121 | S | 56.6 | Low | 63.4 | Low | 73 Ų | 73 | 99.1 Ų | 99.1 | 51% | 0.51 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.6 | -35.5 | 176 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | A117 P118 S125 | A117-S121 PolarHBondContact O-OG 2.96Å; P118-S121 WeakPolarHBondContact CA-OG 3.3Å; S121-S125 VanDerWaalsContact O-CB 3.25Å; S121-S125 WeakPolarHBondContact O-CB 3.24Å; S121-S125 PolarHBondContact O-N 3.46Å |
| 122 | G | 56.2 | Low | 62.5 | Low | 25 Ų | 25 | 104.4 Ų | 104.4 | 26% | 0.258 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.4 | -30.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P118 M124 S125 K126 | P118-G122 WeakPolarHBondContact O-CA 3.45Å; P118-G122 PolarHBondContact O-N 2.99Å; G122-M124 VanDerWaalsContact C-N 3.35Å; G122-S125 PolarHBondContact O-N 3.32Å; G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 3.04Å |
| 123 | S | 59.7 | Low | 61.9 | Low | 56 Ų | 56 | 101.2 Ų | 101.2 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 172.5 | 74.7 | 0 | 0 | 0 | 0 | 111.4 | T119 V120 K127 | T119-S123 WeakPolarHBondContact O-CB 3.28Å; T119-S123 PolarHBondContact O-N 2.92Å; T119-S123 PolarHBondContact O-OG 3.11Å; T119-S123 VanDerWaalsContact O-OG 3.11Å; V120-S123 PolarHBondContact O-OG 3.33Å; S123-K127 VanDerWaalsContact O-CE 3.26Å; S123-K127 WeakPolarHBondContact O-CE 3.2Å; S123-K127 WeakPolarHBondContact O-CG 3.46Å; S123-K127 PolarHBondContact O-N 2.9Å |
| 124 | M | 60.7 | Low | 61.2 | Low | 92 Ų | 92 | 99.4 Ų | 99.4 | 45% | 0.453 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 171 | -102.5 | 129.9 | 74.1 | 0 | 0 | 112.1 | V120 G122 K126 K127 F128 | V120-M124 PolarHBondContact O-N 3.41Å; G122-M124 VanDerWaalsContact C-N 3.35Å; M124-K126 VanDerWaalsContact C-N 3.31Å; M124-K126 PolarHBondContact O-N 3.13Å; M124-K127 WeakPolarHBondContact O-CA 3.49Å; M124-K127 WeakPolarHBondContact O-CB 3.41Å; M124-K127 PolarHBondContact O-N 2.89Å; M124-F128 HydrophobicContact CB-CD2 4.46Å; M124-F128 HydrophobicContact CB-CE2 4.08Å; M124-F128 HydrophobicContact CG-CE2 4.08Å; M124-F128 WeakPolarHBondContact O-CD2 3.31Å; M124-F128 PolarHBondContact O-N 2.96Å; M124-F128 VanDerWaalsContact O-N 3.16Å |
| 125 | S | 62.7 | Low | 60.7 | Low | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 178.2 | -164.2 | 0 | 0 | 0 | 0 | 112.4 | S121 G122 K127 F128 N129 | S121-S125 VanDerWaalsContact O-CB 3.25Å; S121-S125 WeakPolarHBondContact O-CB 3.24Å; S121-S125 PolarHBondContact O-N 3.46Å; G122-S125 PolarHBondContact O-N 3.32Å; S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact O-N 3.19Å; S125-F128 PolarHBondContact O-N 3.36Å; S125-N129 PolarHBondContact O-N 3.5Å; S125-N129 PolarHBondContact O-ND2 3.27Å |
| 126 | K | 63.7 | Low | 60.6 | Low | 161 Ų | 161 | 105.3 Ų | 105.3 | 70% | 0.7 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -34.4 | 172.3 | -74.5 | -179.5 | -178.6 | 178.8 | 0 | 113.4 | G122 M124 F128 | G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 3.04Å; M124-K126 VanDerWaalsContact C-N 3.31Å; M124-K126 PolarHBondContact O-N 3.13Å; K126-F128 VanDerWaalsContact C-N 3.31Å; K126-F128 PolarHBondContact O-N 3.1Å |
| 127 | K | 64.6 | Low | 60.8 | Low | 132 Ų | 132 | 107.6 Ų | 107.6 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.6 | -20.8 | 177.7 | -70.7 | -178.2 | -69.9 | -158.1 | 0 | 113.4 | S123 M124 S125 T130 | S123-K127 VanDerWaalsContact O-CE 3.26Å; S123-K127 WeakPolarHBondContact O-CE 3.2Å; S123-K127 WeakPolarHBondContact O-CG 3.46Å; S123-K127 PolarHBondContact O-N 2.9Å; M124-K127 WeakPolarHBondContact O-CA 3.49Å; M124-K127 WeakPolarHBondContact O-CB 3.41Å; M124-K127 PolarHBondContact O-N 2.89Å; S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact O-N 3.19Å; K127-T130 PolarHBondContact O-OG1 3.09Å; K127-T130 VanDerWaalsContact O-OG1 3.09Å |
| 128 | F | 64.4 | Low | 61 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.614 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -95.6 | -28.8 | 177.2 | -66 | -65.9 | 0 | 0 | 0 | 113.3 | M124 S125 K126 T130 K131 | M124-F128 HydrophobicContact CB-CD2 4.46Å; M124-F128 HydrophobicContact CB-CE2 4.08Å; M124-F128 HydrophobicContact CG-CE2 4.08Å; M124-F128 WeakPolarHBondContact O-CD2 3.31Å; M124-F128 PolarHBondContact O-N 2.96Å; M124-F128 VanDerWaalsContact O-N 3.16Å; S125-F128 PolarHBondContact O-N 3.36Å; K126-F128 VanDerWaalsContact C-N 3.31Å; K126-F128 PolarHBondContact O-N 3.1Å; F128-T130 VanDerWaalsContact C-N 3.31Å; F128-T130 PolarHBondContact O-N 2.97Å; F128-K131 PolarHBondContact O-N 3.49Å |
| 129 | N | 63.3 | Low | 61.3 | Low | 85 Ų | 85 | 115.9 Ų | 115.9 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.5 | -35.4 | 174.9 | -71.7 | -25.1 | 0 | 0 | 0 | 112.4 | S125 K131 K132 D133 | S125-N129 PolarHBondContact O-N 3.5Å; S125-N129 PolarHBondContact O-ND2 3.27Å; N129-K131 PolarHBondContact O-N 3.39Å; N129-K132 PolarHBondContact O-N 3.34Å; N129-D133 PolarHBondContact O-N 3.43Å |
| 130 | T | 63.7 | Low | 60.9 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.6 | -29.4 | 178.2 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | K127 F128 F134 | K127-T130 PolarHBondContact O-OG1 3.09Å; K127-T130 VanDerWaalsContact O-OG1 3.09Å; F128-T130 VanDerWaalsContact C-N 3.31Å; F128-T130 PolarHBondContact O-N 2.97Å; T130-F134 VanDerWaalsContact O-CB 3.25Å; T130-F134 WeakPolarHBondContact O-CB 3.47Å; T130-F134 PolarHBondContact O-N 2.77Å |
| 131 | K | 61.9 | Low | 60.2 | Low | 165 Ų | 165 | 113.4 Ų | 113.4 | 72% | 0.717 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.7 | -32.7 | 176.4 | -122.7 | 175.5 | -176.5 | 177.4 | 0 | 112.5 | F128 N129 K135 | F128-K131 PolarHBondContact O-N 3.49Å; N129-K131 PolarHBondContact O-N 3.39Å; K131-K135 PolarHBondContact O-N 2.96Å |
| 132 | K | 62.5 | Low | 59.5 | Low | 155 Ų | 155 | 117.5 Ų | 117.5 | 67% | 0.674 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.7 | -35.7 | 177.5 | -153.5 | 175.3 | -179.2 | 178.7 | 0 | 111 | N129 R136 | N129-K132 PolarHBondContact O-N 3.34Å; K132-R136 PolarHBondContact O-N 3.43Å |
| 133 | D | 62.7 | Low | 58.8 | Low | 77 Ų | 77 | 121.2 Ų | 121.2 | 41% | 0.412 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.5 | -29.8 | 175.7 | -62.9 | -33.9 | 0 | 0 | 0 | 113.1 | N129 K135 R136 K137 | N129-D133 PolarHBondContact O-N 3.43Å; D133-K135 PolarHBondContact O-N 3.33Å; D133-R136 PolarHBondContact O-N 3.36Å; D133-R136 IonicContact OD1-CZ 3.41Å; D133-R136 IonicContact OD1-NE 3.02Å; D133-R136 IonicContact OD1-NH2 3.82Å; D133-R136 PolarHBondContact OD1-NH2 3.41Å; D133-K137 PolarHBondContact O-N 3.39Å; D133-K137 VanDerWaalsContact O-N 3.16Å |
| 134 | F | 63.6 | Low | 58.1 | Low | 137 Ų | 137 | 126.1 Ų | 126.1 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.4 | -37.6 | 173 | -159.8 | -93.1 | 0 | 0 | 0 | 112.3 | T130 | T130-F134 VanDerWaalsContact O-CB 3.25Å; T130-F134 WeakPolarHBondContact O-CB 3.47Å; T130-F134 PolarHBondContact O-N 2.77Å |
| 135 | K | 62.3 | Low | 57.5 | Low | 149 Ų | 149 | 127.3 Ų | 127.3 | 65% | 0.648 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.7 | -32.2 | 174.2 | -73.7 | -158.1 | 174.6 | -166.7 | 0 | 113 | K131 D133 Q138 | K131-K135 PolarHBondContact O-N 2.96Å; D133-K135 PolarHBondContact O-N 3.33Å; K135-Q138 PolarHBondContact O-N 3.44Å |
| 136 | R | 63 | Low | 57.2 | Low | 167 Ų | 167 | 130 Ų | 130 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68 | -37.3 | 178.1 | -141 | -175.6 | -50.9 | -163.6 | 11.8 | 111.9 | K132 D133 Q138 I139 G140 | K132-R136 PolarHBondContact O-N 3.43Å; D133-R136 PolarHBondContact O-N 3.36Å; D133-R136 IonicContact OD1-CZ 3.41Å; D133-R136 IonicContact OD1-NE 3.02Å; D133-R136 IonicContact OD1-NH2 3.82Å; D133-R136 PolarHBondContact OD1-NH2 3.41Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 3.26Å; R136-I139 PolarHBondContact O-N 2.99Å; R136-G140 PolarHBondContact O-N 3.05Å |
| 137 | K | 60.6 | Low | 56.7 | Low | 182 Ų | 182 | 131.2 Ų | 131.2 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.6 | -18.8 | 174.1 | -92 | -174.7 | 172.6 | -175.6 | 0 | 114.9 | D133 | D133-K137 PolarHBondContact O-N 3.39Å; D133-K137 VanDerWaalsContact O-N 3.16Å |
| 138 | Q | 61.1 | Low | 56.2 | Low | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -90.5 | -12.9 | 177.5 | -75.6 | -163.6 | -21.2 | 0 | 0 | 114 | K135 R136 | K135-Q138 PolarHBondContact O-N 3.44Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 3.26Å |
| 139 | I | 61.3 | Low | 55.9 | Low | 151 Ų | 151 | 131.7 Ų | 131.7 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -111.9 | -11.8 | -172.6 | -62.2 | 172.9 | 0 | 0 | 0 | 112.3 | R136 | R136-I139 PolarHBondContact O-N 2.99Å |
| 140 | G | 48.7 | Very low | 55.9 | Low | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -146.7 | 119 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | R136 | R136-G140 PolarHBondContact O-N 3.05Š|
| 141 | G | 41.9 | Very low | 56.3 | Low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 142.1 | 85.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 142 | D | 41.6 | Very low | 56.8 | Low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -44.1 | 146.4 | 153.5 | -84.2 | -48.8 | 0 | 0 | 0 | 111.9 | ||||
| 143 | S | 39.9 | Very low | 57.5 | Low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 49.3 | 90.6 | 155.4 | 63.6 | 0 | 0 | 0 | 0 | 118.3 | ||
| 144 | D | 46.9 | Very low | 58.3 | Low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | 166.8 | 117.6 | 121.6 | -94.1 | -22.2 | 0 | 0 | 0 | 110.1 | P146 | D144-P146 WeakPolarHBondContact O-CD 3.42Š| |||
| 145 | S | 47.9 | Very low | 59 | Low | 117 Ų | 117 | 149.7 Ų | 149.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -84.9 | 126 | -175.8 | 94.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 146 | P | 55.7 | Low | 59.9 | Low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -98.6 | 129.2 | 157.1 | 31 | -20 | 0 | 0 | 0 | 109.3 | D144 A148 | D144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-A148 PolarHBondContact O-N 3.41Å | ||
| 147 | H | 52.5 | Low | 60.7 | Low | 186 Ų | 186 | 149 Ų | 149 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -26.2 | 119.8 | 178.6 | -82.2 | -79.7 | 0 | 0 | 0 | 116 | M149 | H147-M149 PolarHBondContact O-N 3.1Å; H147-M149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | A | 53.7 | Low | 61.5 | Low | 98 Ų | 98 | 151.7 Ų | 151.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 112.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P146 K150 | P146-A148 PolarHBondContact O-N 3.41Å; A148-K150 PolarHBondContact O-N 3.4Å | ||
| 149 | M | 59.2 | Low | 61.8 | Low | 184 Ų | 184 | 150.7 Ų | 150.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.9 | 173.9 | -70.5 | -154.6 | 149.2 | 0 | 0 | 110.8 | H147 K151 | H147-M149 PolarHBondContact O-N 3.1Å; H147-M149 VanDerWaalsContact O-N 3.16Å; M149-K151 PolarHBondContact O-N 3.3Å |
| 150 | K | 64.3 | Low | 61.9 | Low | 203 Ų | 203 | 146.7 Ų | 146.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 122.2 | 176.5 | -68.4 | 179.6 | 179.5 | 177.4 | 0 | 109.6 | A148 Q152 | A148-K150 PolarHBondContact O-N 3.4Å; K150-Q152 PolarHBondContact O-N 3.38Å |
| 151 | K | 70.7 | Confident | 62.5 | Low | 197 Ų | 197 | 151.8 Ų | 151.8 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 120.8 | 172.4 | -66.1 | 179 | -178 | 175.6 | 0 | 108.9 | M149 Y153 | M149-K151 PolarHBondContact O-N 3.3Å; K151-Y153 PolarHBondContact O-N 3.23Å |
| 152 | Q | 73.2 | Confident | 62.8 | Low | 193 Ų | 193 | 161.1 Ų | 161.1 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 116.8 | 171.6 | -65 | -84.8 | -30.3 | 0 | 0 | 108.1 | K150 | K150-Q152 PolarHBondContact O-N 3.38Š|
| 153 | Y | 77.8 | Confident | 63.9 | Low | 162 Ų | 162 | 161.3 Ų | 161.3 | 64% | 0.635 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -95 | 144.8 | 171.5 | 56.4 | -91 | 0 | 0 | 0 | 109.5 | K151 K155 | K151-Y153 PolarHBondContact O-N 3.23Å; Y153-K155 HydrophobicContact CE2-CD 3.78Å; Y153-K155 HydrophobicContact CE2-CG 4.17Å; Y153-K155 PolarHBondContact O-N 2.89Å; Y153-K155 VanDerWaalsContact O-N 3.1Å; Y153-K155 WeakPolarHBondContact OH-CE 3.48Å; Y153-K155 PolarHBondContact OH-NZ 3.41Å |
| 154 | F | 78.9 | Confident | 65.1 | Low | 182 Ų | 182 | 164.3 Ų | 164.3 | 80% | 0.798 | 84% | 0.84 | S | S | * | * | trans | -61.3 | 111.7 | 174.3 | -173.8 | -99.4 | 0 | 0 | 0 | 109.5 | K156 | F154-K156 HydrophobicContact CD1-CG 4.34Å; F154-K156 PolarHBondContact O-N 3.36Å | ||
| 155 | K | 78.6 | Confident | 66.2 | Low | 150 Ų | 150 | 164.6 Ų | 164.6 | 65% | 0.652 | 84% | 0.84 | S | S | * | * | trans | -73.1 | 111.3 | 174.7 | -70 | -94.8 | -175.6 | 178.3 | 0 | 107.8 | Y153 | Y153-K155 HydrophobicContact CE2-CD 3.78Å; Y153-K155 HydrophobicContact CE2-CG 4.17Å; Y153-K155 PolarHBondContact O-N 2.89Å; Y153-K155 VanDerWaalsContact O-N 3.1Å; Y153-K155 WeakPolarHBondContact OH-CE 3.48Å; Y153-K155 PolarHBondContact OH-NZ 3.41Å | ||
| 156 | K | 80.4 | Confident | 67.2 | Low | 177 Ų | 177 | 167.4 Ų | 167.4 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 140 | 169 | -65.9 | -178.4 | 179.8 | -178.5 | 0 | 108.9 | F154 | F154-K156 HydrophobicContact CD1-CG 4.34Å; F154-K156 PolarHBondContact O-N 3.36Å |
| 157 | P | 79.9 | Confident | 68 | Low | 125 Ų | 125 | 170.4 Ų | 170.4 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.1 | 176.3 | 23.4 | -31 | 0 | 0 | 0 | 110.2 | ||
| 158 | R | 76.7 | Confident | 69 | Low | 238 Ų | 238 | 169.3 Ų | 169.3 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 124.8 | 178.9 | -156.7 | 174.7 | -177.4 | 170.9 | -1.5 | 107.3 | G160 | R158-G160 PolarHBondContact O-N 3.25Š|
| 159 | S | 68.2 | Low | 70.1 | Confident | 127 Ų | 127 | 174.4 Ų | 174.4 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -75.4 | 107.9 | 172.2 | 51 | 0 | 0 | 0 | 0 | 108.4 | ||
| 160 | G | 63.6 | Low | 70.9 | Confident | 68 Ų | 68 | 173.7 Ų | 173.7 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | trans | 168.3 | -0.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 119 | R158 | R158-G160 PolarHBondContact O-N 3.25Š| ||
| 161 | D | 61.1 | Low | 71.5 | Confident | 164 Ų | 164 | 171.3 Ų | 171.3 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | trans | -99.7 | 93.4 | 173.5 | -61 | -33.9 | 0 | 0 | 0 | 109.1 | ||||
| 162 | E | 48.4 | Very low | 71.5 | Confident | 272 Ų | 272 | 168.9 Ų | 168.9 | 100% | 1.271 | 84% | 0.837 | S | S | * | * | trans | -81.7 | 0 | 143.9 | -80.6 | -173.3 | 161.7 | 0 | 0 | 108.9 |
Retrieved 162 of 162 residues in 24.7 ms
(Link to these results)