| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.6 | Very low | 53.8 | Low | 236 Ų | 236 | 115.8 Ų | 115.8 | 100% | 1.163 | 60% | 0.604 | S | S | * | * | 0 | 106 | 0 | -76.3 | 116.7 | 171.4 | 0 | 0 | 108.1 | V3 | M1-V3 PolarHBondContact O-N 3.06Š| |||
| 2 | S | 37.2 | Very low | 54.9 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 86% | 0.86 | 61% | 0.61 | S | S | * | * | trans | -77.8 | 105.2 | 176 | -59.6 | 0 | 0 | 0 | 0 | 107.9 | N4 | S2-N4 PolarHBondContact O-N 3.23Š| ||
| 3 | V | 45 | Very low | 55.8 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | trans | -61.6 | 110.8 | 169.8 | 179 | 0 | 0 | 0 | 0 | 106.3 | M1 M5 | M1-V3 PolarHBondContact O-N 3.06Å; V3-M5 PolarHBondContact O-N 3.43Å | ||
| 4 | N | 51.5 | Low | 56.5 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 57% | 0.572 | 53% | 0.53 | S | S | * | . | trans | -69.2 | 108 | 179.4 | -150.4 | -51.7 | 0 | 0 | 0 | 106.8 | S2 D6 E7 L8 | S2-N4 PolarHBondContact O-N 3.23Å; N4-D6 PolarHBondContact O-N 2.96Å; N4-E7 HydrophobicContact CB-CB 4.34Å; N4-E7 WeakPolarHBondContact O-CB 2.98Å; N4-E7 PolarHBondContact O-N 3.09Å; N4-L8 PolarHBondContact O-N 3.37Å | ||
| 5 | M | 50.5 | Low | 57.1 | Low | 132 Ų | 132 | 101.5 Ų | 101.5 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.1 | -24.3 | -177.7 | -87.3 | -88.6 | -116.5 | 0 | 0 | 112.5 | V3 K9 | V3-M5 PolarHBondContact O-N 3.43Å; M5-K9 VanDerWaalsContact O-CG 3.29Å; M5-K9 WeakPolarHBondContact O-CG 3.39Å; M5-K9 PolarHBondContact O-N 3.36Å |
| 6 | D | 56.1 | Low | 57.5 | Low | 98 Ų | 98 | 97.4 Ų | 97.4 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 174.9 | -157 | -104.6 | 0 | 0 | 0 | 112.3 | N4 K9 H10 | N4-D6 PolarHBondContact O-N 2.96Å; D6-K9 PolarHBondContact O-N 2.87Å; D6-H10 WeakPolarHBondContact O-CB 3.14Å; D6-H10 PolarHBondContact O-N 3.26Å |
| 7 | E | 59.2 | Low | 57.8 | Low | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.5 | -38.5 | 179.1 | -169.5 | 178.3 | 92.9 | 0 | 0 | 111.9 | N4 H10 Q11 | N4-E7 HydrophobicContact CB-CB 4.34Å; N4-E7 WeakPolarHBondContact O-CB 2.98Å; N4-E7 PolarHBondContact O-N 3.09Å; E7-H10 VanDerWaalsContact O-CB 3.28Å; E7-H10 WeakPolarHBondContact O-CB 3.27Å; E7-H10 PolarHBondContact O-N 3.04Å; E7-Q11 WeakPolarHBondContact O-CG 3.47Å; E7-Q11 PolarHBondContact O-N 3.06Å |
| 8 | L | 60.5 | Low | 58 | Low | 105 Ų | 105 | 99.7 Ų | 99.7 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 176.7 | -173.6 | 66.5 | 0 | 0 | 0 | 111.8 | N4 H10 R12 | N4-L8 PolarHBondContact O-N 3.37Å; L8-H10 VanDerWaalsContact C-N 3.3Å; L8-R12 PolarHBondContact O-N 2.95Å; L8-R12 VanDerWaalsContact O-N 3.15Å |
| 9 | K | 61 | Low | 58 | Low | 132 Ų | 132 | 102.6 Ų | 102.6 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 173.4 | -74.3 | 174.3 | -178.9 | -179.1 | 0 | 110.8 | M5 D6 R12 C13 | M5-K9 VanDerWaalsContact O-CG 3.29Å; M5-K9 WeakPolarHBondContact O-CG 3.39Å; M5-K9 PolarHBondContact O-N 3.36Å; D6-K9 PolarHBondContact O-N 2.87Å; K9-R12 PolarHBondContact O-N 3.19Å; K9-C13 PolarHBondContact O-N 3.12Å; K9-C13 VanDerWaalsContact O-N 3.08Å |
| 10 | H | 65.3 | Low | 57.9 | Low | 35 Ų | 35 | 99.4 Ų | 99.4 | 16% | 0.162 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -60.2 | -51.9 | 176.7 | -161.7 | 79.7 | 0 | 0 | 0 | 112.7 | D6 E7 L8 R12 C13 C14 A41 C42 | D6-H10 WeakPolarHBondContact O-CB 3.14Å; D6-H10 PolarHBondContact O-N 3.26Å; E7-H10 VanDerWaalsContact O-CB 3.28Å; E7-H10 WeakPolarHBondContact O-CB 3.27Å; E7-H10 PolarHBondContact O-N 3.04Å; L8-H10 VanDerWaalsContact C-N 3.3Å; H10-R12 VanDerWaalsContact C-N 3.29Å; H10-R12 PolarHBondContact O-N 3.48Å; H10-C13 PolarHBondContact O-N 3.47Å; H10-C13 VanDerWaalsContact O-N 3.15Å; H10-C14 PolarHBondContact O-N 2.82Å; H10-A41 WeakPolarHBondContact CE1-CB 3.48Å; H10-A41 PolarHBondContact CE1-O 3.36Å; H10-A41 VanDerWaalsContact NE2-C 3.28Å; H10-A41 PolarHBondContact NE2-O 2.94Å; H10-C42 PolarHBondContact CE1-N 2.92Å; H10-C42 VanDerWaalsContact CE1-N 3.34Å |
| 11 | Q | 65.1 | Low | 57.7 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 33% | 0.332 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 177.6 | -74.3 | -76.2 | -33.8 | 0 | 0 | 112.3 | E7 S15 | E7-Q11 WeakPolarHBondContact O-CG 3.47Å; E7-Q11 PolarHBondContact O-N 3.06Å; Q11-S15 WeakPolarHBondContact O-CB 3.17Å; Q11-S15 PolarHBondContact O-N 3.14Å; Q11-S15 PolarHBondContact O-OG 3.13Å |
| 12 | R | 66.4 | Low | 58.4 | Low | 181 Ų | 181 | 89.7 Ų | 89.7 | 68% | 0.683 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 178.7 | -164.2 | 174.4 | -171.5 | -142.5 | 2.1 | 111.6 | L8 K9 H10 S15 L16 | L8-R12 PolarHBondContact O-N 2.95Å; L8-R12 VanDerWaalsContact O-N 3.15Å; K9-R12 PolarHBondContact O-N 3.19Å; H10-R12 VanDerWaalsContact C-N 3.29Å; H10-R12 PolarHBondContact O-N 3.48Å; R12-S15 PolarHBondContact O-N 2.8Å; R12-L16 HydrophobicContact CG-CD1 4.29Å; R12-L16 WeakPolarHBondContact O-CD1 3.49Å; R12-L16 WeakPolarHBondContact O-CG 3.1Å; R12-L16 PolarHBondContact O-N 2.85Å |
| 13 | C | 66.6 | Low | 58.8 | Low | 4 Ų | 4 | 92.2 Ų | 92.2 | 3% | 0.027 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.4 | -44 | 178.1 | -76.7 | 0 | 0 | 0 | 0 | 113.3 | K9 H10 S15 L16 Q17 C35 | K9-C13 PolarHBondContact O-N 3.12Å; K9-C13 VanDerWaalsContact O-N 3.08Å; H10-C13 PolarHBondContact O-N 3.47Å; H10-C13 VanDerWaalsContact O-N 3.15Å; C13-S15 VanDerWaalsContact C-N 3.26Å; C13-S15 PolarHBondContact O-N 3.23Å; C13-L16 PolarHBondContact O-N 3.1Å; C13-Q17 WeakPolarHBondContact O-CB 3.34Å; C13-Q17 PolarHBondContact O-N 2.92Å; C13-C35 HydrophobicContact CB-CB 3.67Å; C13-C35 WeakPolarHBondContact CB-SG 3.27Å; C13-C35 WeakPolarHBondContact SG-CB 3.44Å; C13-C35 CovalentContact SG-SG 1.99Å; C13-C35 PolarHBondContact SG-SG 3.05Å |
| 14 | C | 66.3 | Low | 58.8 | Low | 10 Ų | 10 | 89.9 Ų | 89.9 | 7% | 0.068 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 173.8 | -75.1 | 0 | 0 | 0 | 0 | 112.5 | H10 R18 C45 | H10-C14 PolarHBondContact O-N 2.82Å; C14-R18 WeakPolarHBondContact O-CB 3.49Å; C14-R18 PolarHBondContact O-N 3.24Å; C14-C45 HydrophobicContact CB-CB 3.76Å; C14-C45 WeakPolarHBondContact CB-SG 3.4Å; C14-C45 WeakPolarHBondContact SG-CB 3.27Å; C14-C45 CovalentContact SG-SG 2.04Å; C14-C45 PolarHBondContact SG-SG 3.14Å |
| 15 | S | 66 | Low | 58.3 | Low | 54 Ų | 54 | 90.8 Ų | 90.8 | 38% | 0.378 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | Q11 R12 C13 K19 | Q11-S15 WeakPolarHBondContact O-CB 3.17Å; Q11-S15 PolarHBondContact O-N 3.14Å; Q11-S15 PolarHBondContact O-OG 3.13Å; R12-S15 PolarHBondContact O-N 2.8Å; C13-S15 VanDerWaalsContact C-N 3.26Å; C13-S15 PolarHBondContact O-N 3.23Å; S15-K19 WeakPolarHBondContact O-CB 3.08Å; S15-K19 VanDerWaalsContact O-CG 3.27Å; S15-K19 WeakPolarHBondContact O-CG 3.29Å; S15-K19 PolarHBondContact O-N 3.32Å |
| 16 | L | 63.4 | Low | 58.1 | Low | 35 Ų | 35 | 88.4 Ų | 88.4 | 18% | 0.183 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 174.7 | -76.3 | 161.3 | 0 | 0 | 0 | 111.6 | R12 C13 K19 L21 | R12-L16 HydrophobicContact CG-CD1 4.29Å; R12-L16 WeakPolarHBondContact O-CD1 3.49Å; R12-L16 WeakPolarHBondContact O-CG 3.1Å; R12-L16 PolarHBondContact O-N 2.85Å; C13-L16 PolarHBondContact O-N 3.1Å; L16-K19 PolarHBondContact O-N 2.04Å; L16-L21 HydrophobicContact CD2-CB 4.44Å; L16-L21 HydrophobicContact CD2-CD1 4.01Å; L16-L21 PolarHBondContact O-N 3.4Å |
| 17 | Q | 62.8 | Low | 57.6 | Low | 34 Ų | 34 | 89.3 Ų | 89.3 | 16% | 0.159 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 175.7 | -169.2 | 175.7 | 0.4 | 0 | 0 | 111.9 | C13 K19 G20 W22 C42 T46 | C13-Q17 WeakPolarHBondContact O-CB 3.34Å; C13-Q17 PolarHBondContact O-N 2.92Å; Q17-K19 PolarHBondContact O-N 3.34Å; Q17-G20 PolarHBondContact O-N 3.33Å; Q17-W22 HydrophobicContact CB-CD2 4.12Å; Q17-W22 HydrophobicContact CB-CE3 4.24Å; Q17-W22 HydrophobicContact CB-CH2 3.64Å; Q17-W22 HydrophobicContact CB-CZ2 3.48Å; Q17-W22 VanDerWaalsContact CB-CZ2 3.48Å; Q17-W22 HydrophobicContact CB-CZ3 4.02Å; Q17-W22 HydrophobicContact CG-CD2 4.11Å; Q17-W22 HydrophobicContact CG-CE3 3.74Å; Q17-W22 HydrophobicContact CG-CH2 3.51Å; Q17-W22 HydrophobicContact CG-CZ2 3.89Å; Q17-W22 HydrophobicContact CG-CZ3 3.43Å; Q17-W22 VanDerWaalsContact CG-CZ3 3.43Å; Q17-W22 VanDerWaalsContact OE1-CH2 3.3Å; Q17-C42 PolarHBondContact OE1-SG 2.82Å; Q17-T46 PolarHBondContact NE2-OG1 3.08Å; Q17-T46 VanDerWaalsContact NE2-OG1 3.09Å |
| 18 | R | 61.2 | Low | 57.1 | Low | 202 Ų | 202 | 88.8 Ų | 88.8 | 76% | 0.762 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.5 | -26.2 | 178.8 | -81 | -150.7 | -71.5 | 162.9 | -8.5 | 113.5 | C14 G20 | C14-R18 WeakPolarHBondContact O-CB 3.49Å; C14-R18 PolarHBondContact O-N 3.24Å; R18-G20 PolarHBondContact O-N 2.97Å |
| 19 | K | 58.3 | Low | 56.5 | Low | 156 Ų | 156 | 88.9 Ų | 88.9 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -0.6 | 176.1 | -74 | -179.2 | -178.2 | -163.3 | 0 | 113.3 | S15 L16 Q17 L21 | S15-K19 WeakPolarHBondContact O-CB 3.08Å; S15-K19 VanDerWaalsContact O-CG 3.27Å; S15-K19 WeakPolarHBondContact O-CG 3.29Å; S15-K19 PolarHBondContact O-N 3.32Å; L16-K19 PolarHBondContact O-N 2.04Å; Q17-K19 PolarHBondContact O-N 3.34Å; K19-L21 HydrophobicContact CB-CD1 3.58Å; K19-L21 HydrophobicContact CB-CG 3.84Å; K19-L21 HydrophobicContact CD-CD1 3.89Å; K19-L21 HydrophobicContact CG-CD1 4.39Å; K19-L21 PolarHBondContact O-N 2.91Å; K19-L21 VanDerWaalsContact O-N 3.1Å |
| 20 | G | 55 | Low | 56 | Low | 38 Ų | 38 | 87.7 Ų | 87.7 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 12.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q17 R18 W22 E23 | Q17-G20 PolarHBondContact O-N 3.33Å; R18-G20 PolarHBondContact O-N 2.97Å; G20-W22 PolarHBondContact O-N 3.04Å; G20-W22 VanDerWaalsContact O-N 3.14Å; G20-E23 PolarHBondContact O-N 3.47Å |
| 21 | L | 54.7 | Low | 55.4 | Low | 43 Ų | 43 | 87.4 Ų | 87.4 | 23% | 0.225 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4.8 | -175.1 | -74 | 163.9 | 0 | 0 | 0 | 112.7 | L16 K19 E23 F28 | L16-L21 HydrophobicContact CD2-CB 4.44Å; L16-L21 HydrophobicContact CD2-CD1 4.01Å; L16-L21 PolarHBondContact O-N 3.4Å; K19-L21 HydrophobicContact CB-CD1 3.58Å; K19-L21 HydrophobicContact CB-CG 3.84Å; K19-L21 HydrophobicContact CD-CD1 3.89Å; K19-L21 HydrophobicContact CG-CD1 4.39Å; K19-L21 PolarHBondContact O-N 2.91Å; K19-L21 VanDerWaalsContact O-N 3.1Å; L21-E23 VanDerWaalsContact C-N 3.29Å; L21-F28 HydrophobicContact CD1-CE2 4.48Å; L21-F28 HydrophobicContact CD2-CD2 4.26Å; L21-F28 HydrophobicContact CD2-CE2 4.21Å |
| 22 | W | 53.5 | Low | 54.8 | Low | 89 Ų | 89 | 87.8 Ų | 87.8 | 34% | 0.337 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -21.6 | 173.4 | -67.1 | -1 | 0 | 0 | 0 | 112.6 | Q17 G20 | Q17-W22 HydrophobicContact CB-CD2 4.12Å; Q17-W22 HydrophobicContact CB-CE3 4.24Å; Q17-W22 HydrophobicContact CB-CH2 3.64Å; Q17-W22 HydrophobicContact CB-CZ2 3.48Å; Q17-W22 VanDerWaalsContact CB-CZ2 3.48Å; Q17-W22 HydrophobicContact CB-CZ3 4.02Å; Q17-W22 HydrophobicContact CG-CD2 4.11Å; Q17-W22 HydrophobicContact CG-CE3 3.74Å; Q17-W22 HydrophobicContact CG-CH2 3.51Å; Q17-W22 HydrophobicContact CG-CZ2 3.89Å; Q17-W22 HydrophobicContact CG-CZ3 3.43Å; Q17-W22 VanDerWaalsContact CG-CZ3 3.43Å; Q17-W22 VanDerWaalsContact OE1-CH2 3.3Å; G20-W22 PolarHBondContact O-N 3.04Å; G20-W22 VanDerWaalsContact O-N 3.14Å |
| 23 | E | 47.2 | Very low | 54 | Low | 176 Ų | 176 | 83.1 Ų | 83.1 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -94.5 | 1 | -177.4 | -55.7 | -142.9 | 102.2 | 0 | 0 | 113.1 | G20 L21 P25 | G20-E23 PolarHBondContact O-N 3.47Å; L21-E23 VanDerWaalsContact C-N 3.29Å; E23-P25 WeakPolarHBondContact O-CD 3.11Å |
| 24 | T | 44.2 | Very low | 53.1 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -98.6 | 92.3 | 175.3 | -38.4 | 0 | 0 | 0 | 0 | 110 | G26 L27 | T24-G26 PolarHBondContact O-N 2.95Å; T24-G26 VanDerWaalsContact O-N 3.13Å; T24-L27 HydrophobicContact CG2-CB 3.79Å; T24-L27 HydrophobicContact CG2-CD1 4Å; T24-L27 HydrophobicContact CG2-CD2 4.36Å; T24-L27 HydrophobicContact CG2-CG 4.27Å |
| 25 | P | 40.1 | Very low | 52.5 | Low | 127 Ų | 127 | 85.7 Ų | 85.7 | 83% | 0.825 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 120.3 | 175.1 | 23.1 | -32 | 0 | 0 | 0 | 109.7 | E23 | E23-P25 WeakPolarHBondContact O-CD 3.11Š|
| 26 | G | 47.5 | Very low | 51.8 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 85% | 0.845 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | -2.5 | 171 | 0 | 0 | 0 | 0 | 0 | 117.1 | T24 | T24-G26 PolarHBondContact O-N 2.95Å; T24-G26 VanDerWaalsContact O-N 3.13Å |
| 27 | L | 45.8 | Very low | 51.1 | Low | 116 Ų | 116 | 93.8 Ų | 93.8 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -89.9 | -20.6 | -178.8 | -128.7 | 87.3 | 0 | 0 | 0 | 114.3 | T24 | T24-L27 HydrophobicContact CG2-CB 3.79Å; T24-L27 HydrophobicContact CG2-CD1 4Å; T24-L27 HydrophobicContact CG2-CD2 4.36Å; T24-L27 HydrophobicContact CG2-CG 4.27Å |
| 28 | F | 47.3 | Very low | 50.4 | Low | 114 Ų | 114 | 94.2 Ų | 94.2 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -140.9 | 149.3 | 178.1 | -87.2 | -95.3 | 0 | 0 | 0 | 110.3 | L21 | L21-F28 HydrophobicContact CD1-CE2 4.48Å; L21-F28 HydrophobicContact CD2-CD2 4.26Å; L21-F28 HydrophobicContact CD2-CE2 4.21Å |
| 29 | P | 49.5 | Very low | 49.7 | Very low | 107 Ų | 107 | 87.2 Ų | 87.2 | 70% | 0.695 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 140.7 | 170.2 | 23.2 | -32.4 | 0 | 0 | 0 | 108.5 | ||
| 30 | P | 50.3 | Low | 49.2 | Very low | 107 Ų | 107 | 84.9 Ų | 84.9 | 70% | 0.695 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 136 | -176.7 | 20.2 | -31.7 | 0 | 0 | 0 | 108.8 | ||
| 31 | P | 52.7 | Low | 48.9 | Very low | 28 Ų | 28 | 85.2 Ų | 85.2 | 18% | 0.182 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 136.2 | 176 | 21.4 | -30.8 | 0 | 0 | 0 | 107.6 | S33 C35 L36 | P31-S33 PolarHBondContact O-N 3Å; P31-C35 HydrophobicContact CB-CB 4.34Å; P31-L36 HydrophobicContact CG-CD1 4.17Å; P31-L36 HydrophobicContact CG-CD2 4.08Å; P31-L36 HydrophobicContact CG-CG 3.98Å |
| 32 | P | 52.3 | Low | 48.7 | Very low | 79 Ų | 79 | 83.5 Ų | 83.5 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 134.6 | -178.6 | 21.8 | -31.8 | 0 | 0 | 0 | 107.6 | A34 C35 | P32-A34 PolarHBondContact O-N 3.29Å; P32-C35 PolarHBondContact O-N 3.38Å |
| 33 | S | 48.9 | Very low | 48.3 | Very low | 83 Ų | 83 | 84.4 Ų | 84.4 | 58% | 0.58 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51.8 | -22.7 | -169.7 | -50.9 | 0 | 0 | 0 | 0 | 113.7 | P31 C35 L36 L37 | P31-S33 PolarHBondContact O-N 3Å; S33-C35 PolarHBondContact O-N 3.2Å; S33-L36 PolarHBondContact O-N 3.38Å; S33-L36 VanDerWaalsContact O-N 3.14Å; S33-L37 VanDerWaalsContact O-CB 3.27Å; S33-L37 WeakPolarHBondContact O-CB 3.48Å; S33-L37 WeakPolarHBondContact O-CD1 3.09Å; S33-L37 PolarHBondContact O-N 2.75Å |
| 34 | A | 48.8 | Very low | 48.5 | Very low | 52 Ų | 52 | 77.9 Ų | 77.9 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -51.6 | -34.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P32 L39 | P32-A34 PolarHBondContact O-N 3.29Å; A34-L39 HydrophobicContact CB-CD1 4.17Å; A34-L39 WeakPolarHBondContact O-CD1 3.06Å |
| 35 | C | 52.3 | Low | 48.8 | Very low | 16 Ų | 16 | 77.1 Ų | 77.1 | 11% | 0.108 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -85.6 | -23.5 | -179.7 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | C13 P31 P32 S33 | C13-C35 HydrophobicContact CB-CB 3.67Å; C13-C35 WeakPolarHBondContact CB-SG 3.27Å; C13-C35 WeakPolarHBondContact SG-CB 3.44Å; C13-C35 CovalentContact SG-SG 1.99Å; C13-C35 PolarHBondContact SG-SG 3.05Å; P31-C35 HydrophobicContact CB-CB 4.34Å; P32-C35 PolarHBondContact O-N 3.38Å; S33-C35 PolarHBondContact O-N 3.2Å |
| 36 | L | 51.7 | Low | 49.1 | Very low | 114 Ų | 114 | 74.9 Ų | 74.9 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -83.2 | -33.2 | 172.1 | -68.6 | 171.4 | 0 | 0 | 0 | 112.3 | P31 S33 G38 | P31-L36 HydrophobicContact CG-CD1 4.17Å; P31-L36 HydrophobicContact CG-CD2 4.08Å; P31-L36 HydrophobicContact CG-CG 3.98Å; S33-L36 PolarHBondContact O-N 3.38Å; S33-L36 VanDerWaalsContact O-N 3.14Å; L36-G38 PolarHBondContact O-N 1.99Å |
| 37 | L | 49.1 | Very low | 48.9 | Very low | 146 Ų | 146 | 81 Ų | 81 | 76% | 0.764 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 14.7 | 179.8 | -84.4 | 155.5 | 0 | 0 | 0 | 113.9 | S33 | S33-L37 VanDerWaalsContact O-CB 3.27Å; S33-L37 WeakPolarHBondContact O-CB 3.48Å; S33-L37 WeakPolarHBondContact O-CD1 3.09Å; S33-L37 PolarHBondContact O-N 2.75Å |
| 38 | G | 48.3 | Very low | 48.9 | Very low | 42 Ų | 42 | 78.8 Ų | 78.8 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 65.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | L36 P40 | L36-G38 PolarHBondContact O-N 1.99Å; G38-P40 WeakPolarHBondContact O-CD 3.06Å |
| 39 | L | 46 | Very low | 48.5 | Very low | 56 Ų | 56 | 81.9 Ų | 81.9 | 29% | 0.293 | 49% | 0.487 | S | S | . | . | trans | -53.4 | 119.6 | 153.5 | -99.2 | 98.6 | 0 | 0 | 0 | 106.2 | A34 A41 C42 | A34-L39 HydrophobicContact CB-CD1 4.17Å; A34-L39 WeakPolarHBondContact O-CD1 3.06Å; L39-A41 PolarHBondContact O-N 2.8Å; L39-C42 PolarHBondContact O-N 3.15Å | ||
| 40 | P | 48.3 | Very low | 48.1 | Very low | 107 Ų | 107 | 81.9 Ų | 81.9 | 70% | 0.695 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.2 | 177.4 | 22 | -32 | 0 | 0 | 0 | 112.2 | G38 P44 | G38-P40 WeakPolarHBondContact O-CD 3.06Å; P40-P44 WeakPolarHBondContact O-CD 2.94Å |
| 41 | A | 48.8 | Very low | 47.8 | Very low | 44 Ų | 44 | 82.4 Ų | 82.4 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H10 L39 P44 | H10-A41 WeakPolarHBondContact CE1-CB 3.48Å; H10-A41 PolarHBondContact CE1-O 3.36Å; H10-A41 VanDerWaalsContact NE2-C 3.28Å; H10-A41 PolarHBondContact NE2-O 2.94Å; L39-A41 PolarHBondContact O-N 2.8Å; A41-P44 VanDerWaalsContact C-CD 3.47Å; A41-P44 VanDerWaalsContact O-CD 3.29Å; A41-P44 WeakPolarHBondContact O-CD 3.3Å; A41-P44 WeakPolarHBondContact O-CG 3.29Å |
| 42 | C | 49.5 | Very low | 47.3 | Very low | 7 Ų | 7 | 86.8 Ų | 86.8 | 5% | 0.047 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -22.7 | 179.3 | -150 | 0 | 0 | 0 | 0 | 112.2 | H10 Q17 L39 C45 T46 | H10-C42 PolarHBondContact CE1-N 2.92Å; H10-C42 VanDerWaalsContact CE1-N 3.34Å; Q17-C42 PolarHBondContact OE1-SG 2.82Å; L39-C42 PolarHBondContact O-N 3.15Å; C42-C45 VanDerWaalsContact O-CB 3.27Å; C42-C45 WeakPolarHBondContact O-CB 3.38Å; C42-C45 PolarHBondContact O-N 3.33Å; C42-T46 PolarHBondContact O-N 3.23Å; C42-T46 PolarHBondContact O-OG1 3.24Å |
| 43 | L | 46.5 | Very low | 46.8 | Very low | 109 Ų | 109 | 87.6 Ų | 87.6 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -50.7 | -44.6 | 168.4 | -88.8 | 139.4 | 0 | 0 | 0 | 113.9 | C45 T46 W47 | L43-C45 VanDerWaalsContact C-N 3.28Å; L43-C45 PolarHBondContact O-N 2.9Å; L43-T46 WeakPolarHBondContact O-CB 3.41Å; L43-T46 PolarHBondContact O-N 3.4Å; L43-T46 VanDerWaalsContact O-N 3.12Å; L43-T46 PolarHBondContact O-OG1 2.97Å; L43-W47 PolarHBondContact O-N 2.91Å |
| 44 | P | 49.6 | Very low | 46.4 | Very low | 39 Ų | 39 | 89 Ų | 89 | 25% | 0.253 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -22.4 | 175.7 | 26.1 | -36.2 | 0 | 0 | 0 | 113.8 | P40 A41 T46 W47 | P40-P44 WeakPolarHBondContact O-CD 2.94Å; A41-P44 VanDerWaalsContact C-CD 3.47Å; A41-P44 VanDerWaalsContact O-CD 3.29Å; A41-P44 WeakPolarHBondContact O-CD 3.3Å; A41-P44 WeakPolarHBondContact O-CG 3.29Å; P44-T46 PolarHBondContact O-N 3.15Å; P44-W47 PolarHBondContact O-N 3Å |
| 45 | C | 51.2 | Low | 46.2 | Very low | 44 Ų | 44 | 93 Ų | 93 | 30% | 0.297 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -26.7 | 172.5 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | C14 C42 L43 | C14-C45 HydrophobicContact CB-CB 3.76Å; C14-C45 WeakPolarHBondContact CB-SG 3.4Å; C14-C45 WeakPolarHBondContact SG-CB 3.27Å; C14-C45 CovalentContact SG-SG 2.04Å; C14-C45 PolarHBondContact SG-SG 3.14Å; C42-C45 VanDerWaalsContact O-CB 3.27Å; C42-C45 WeakPolarHBondContact O-CB 3.38Å; C42-C45 PolarHBondContact O-N 3.33Å; L43-C45 VanDerWaalsContact C-N 3.28Å; L43-C45 PolarHBondContact O-N 2.9Å |
| 46 | T | 46.3 | Very low | 45.8 | Very low | 80 Ų | 80 | 96.7 Ų | 96.7 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -80.7 | -28.2 | 176.5 | -9.7 | 0 | 0 | 0 | 0 | 113.5 | Q17 C42 L43 P44 | Q17-T46 PolarHBondContact NE2-OG1 3.08Å; Q17-T46 VanDerWaalsContact NE2-OG1 3.09Å; C42-T46 PolarHBondContact O-N 3.23Å; C42-T46 PolarHBondContact O-OG1 3.24Å; L43-T46 WeakPolarHBondContact O-CB 3.41Å; L43-T46 PolarHBondContact O-N 3.4Å; L43-T46 VanDerWaalsContact O-N 3.12Å; L43-T46 PolarHBondContact O-OG1 2.97Å; P44-T46 PolarHBondContact O-N 3.15Å |
| 47 | W | 43.8 | Very low | 45.5 | Very low | 210 Ų | 210 | 98.8 Ų | 98.8 | 80% | 0.795 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 8.4 | -169.6 | -92.1 | 36.8 | 0 | 0 | 0 | 114.9 | L43 P44 Y49 | L43-W47 PolarHBondContact O-N 2.91Å; P44-W47 PolarHBondContact O-N 3Å; W47-Y49 PolarHBondContact O-N 3.34Å |
| 48 | G | 45.4 | Very low | 45.3 | Very low | 71 Ų | 71 | 98.6 Ų | 98.6 | 73% | 0.732 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.3 | 18.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P50 | G48-P50 WeakPolarHBondContact O-CD 3.37Š|
| 49 | Y | 38.5 | Very low | 44.9 | Very low | 178 Ų | 178 | 103 Ų | 103 | 70% | 0.698 | 58% | 0.576 | S | S | * | * | trans | -72.9 | 122 | 176 | -127 | -95.1 | 0 | 0 | 0 | 106.8 | W47 H51 | W47-Y49 PolarHBondContact O-N 3.34Å; Y49-H51 PolarHBondContact O-N 3.04Å | ||
| 50 | P | 42.6 | Very low | 44.6 | Very low | 108 Ų | 108 | 110.1 Ų | 110.1 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | trans | -66.4 | 101.7 | -179.6 | 26.9 | -31.3 | 0 | 0 | 0 | 106.9 | G48 P52 | G48-P50 WeakPolarHBondContact O-CD 3.37Å; P50-P52 WeakPolarHBondContact O-CD 3.28Å | ||
| 51 | H | 43.4 | Very low | 44.3 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 54% | 0.542 | 62% | 0.615 | S | S | . | * | trans | -58.4 | 122.9 | 165.8 | -156.2 | -84.8 | 0 | 0 | 0 | 106.3 | Y49 L53 | Y49-H51 PolarHBondContact O-N 3.04Å; H51-L53 VanDerWaalsContact CE1-CD1 3.41Å; H51-L53 WeakPolarHBondContact CE1-CD1 3.33Å; H51-L53 VanDerWaalsContact ND1-CD1 3.29Å; H51-L53 WeakPolarHBondContact ND1-CD1 3.42Å; H51-L53 VanDerWaalsContact ND1-CG 3.3Å; H51-L53 WeakPolarHBondContact ND1-CG 3.29Å; H51-L53 PolarHBondContact O-N 3.03Å | ||
| 52 | P | 42.6 | Very low | 44 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | trans | -77.5 | 68.6 | 175.6 | 32.8 | -32.2 | 0 | 0 | 0 | 107.5 | P50 | P50-P52 WeakPolarHBondContact O-CD 3.28Š| ||
| 53 | L | 40.8 | Very low | 43.8 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | trans | -113 | 119.1 | 160.6 | -80.3 | 170.4 | 0 | 0 | 0 | 106.5 | H51 F55 | H51-L53 VanDerWaalsContact CE1-CD1 3.41Å; H51-L53 WeakPolarHBondContact CE1-CD1 3.33Å; H51-L53 VanDerWaalsContact ND1-CD1 3.29Å; H51-L53 WeakPolarHBondContact ND1-CD1 3.42Å; H51-L53 VanDerWaalsContact ND1-CG 3.3Å; H51-L53 WeakPolarHBondContact ND1-CG 3.29Å; H51-L53 PolarHBondContact O-N 3.03Å; L53-F55 PolarHBondContact O-N 3.24Å | ||
| 54 | P | 40.9 | Very low | 43.4 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | trans | -61 | 112.2 | 168 | 27 | -30.2 | 0 | 0 | 0 | 106 | P56 | P54-P56 WeakPolarHBondContact O-CD 2.93Š| ||
| 55 | F | 44.4 | Very low | 43.2 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | trans | -80.8 | 106.9 | 158 | -77.5 | -93.6 | 0 | 0 | 0 | 106.9 | L53 | L53-F55 PolarHBondContact O-N 3.24Š| ||
| 56 | P | 44.6 | Very low | 42.6 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | trans | -119.9 | 48.2 | 152.1 | 40.3 | -33.2 | 0 | 0 | 0 | 109.9 | P54 | P54-P56 WeakPolarHBondContact O-CD 2.93Š| ||
| 57 | L | 44.7 | Very low | 42.2 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -141.5 | 23 | 176.8 | -71.2 | 179.1 | 0 | 0 | 0 | 115.4 | ||
| 58 | L | 44.2 | Very low | 42.2 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -126.4 | 13.3 | 169.4 | -90.5 | 166.8 | 0 | 0 | 0 | 114.6 | ||
| 59 | T | 40.3 | Very low | 42 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -122.9 | 13.7 | 175.4 | 43.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 60 | K | 40.9 | Very low | 42.2 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -128 | 38.8 | 173.1 | -147 | -160.4 | 172.9 | -177.3 | 0 | 114.5 | ||
| 61 | E | 41.1 | Very low | 42.2 | Very low | 194 Ų | 194 | 156.8 Ų | 156.8 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -141.7 | 32.5 | 160.6 | -145.6 | -162.7 | 107.6 | 0 | 0 | 112 | ||
| 62 | K | 42.7 | Very low | 42.1 | Very low | 200 Ų | 200 | 159.3 Ų | 159.3 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -130.3 | 47.4 | 169.4 | -158.7 | -174.6 | 171.9 | -171.8 | 0 | 110.4 | ||
| 63 | N | 44.5 | Very low | 42 | Very low | 155 Ų | 155 | 161.9 Ų | 161.9 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -158.1 | 46.9 | 165.3 | -155.1 | 89.7 | 0 | 0 | 0 | 112.1 | ||
| 64 | E | 38.7 | Very low | 42.1 | Very low | 187 Ų | 187 | 166.6 Ų | 166.6 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -150.4 | 30.8 | 166.7 | -133.2 | -170.5 | 116.7 | 0 | 0 | 113.8 | ||
| 65 | F | 45.6 | Very low | 42.2 | Very low | 205 Ų | 205 | 170.6 Ų | 170.6 | 90% | 0.899 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -134.3 | 35.6 | 169 | -138.8 | -90.1 | 0 | 0 | 0 | 112.8 | ||
| 66 | Q | 39.2 | Very low | 42 | Very low | 191 Ų | 191 | 173.7 Ų | 173.7 | 89% | 0.893 | 88% | 0.876 | S | S | * | * | trans | -143.9 | 83.9 | 158.1 | -77 | -147 | -37.8 | 0 | 0 | 109.2 | ||||
| 67 | T | 38 | Very low | 41.8 | Very low | 218 Ų | 218 | 180.9 Ų | 180.9 | 100% | 1.337 | 90% | 0.9 | S | S | * | * | trans | -151.9 | 0 | 143.5 | -68.4 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 67 of 67 residues in 84 ms
(Link to these results)