| 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 | K | 34.7 | Very low | 39.4 | Very low | 264 Ų | 264 | 161.7 Ų | 161.7 | 100% | 1.148 | 82% | 0.823 | S | S | * | * | 0 | 98.1 | 0 | -80.4 | 173.6 | 175.6 | 171 | 0 | 107.6 | S3 | K1-S3 PolarHBondContact O-N 3.15Š| |||
| 2 | V | 31.7 | Very low | 40.2 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -83.3 | 107.8 | -177.9 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | L4 | V2-L4 PolarHBondContact O-N 3.04Š| ||
| 3 | S | 30.5 | Very low | 41.7 | Very low | 101 Ų | 101 | 155 Ų | 155 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -78.1 | 107.2 | 172.3 | 171.9 | 0 | 0 | 0 | 0 | 107.8 | K1 S5 | K1-S3 PolarHBondContact O-N 3.15Å; S3-S5 VanDerWaalsContact C-N 3.29Å; S3-S5 PolarHBondContact O-N 3.43Å | ||
| 4 | L | 42.3 | Very low | 43.3 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -66.7 | 92.1 | 165.8 | -74.3 | 165.8 | 0 | 0 | 0 | 108.1 | V2 F6 | V2-L4 PolarHBondContact O-N 3.04Å; L4-F6 PolarHBondContact O-N 3.04Å; L4-F6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | S | 40.2 | Very low | 44.9 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -67.5 | 104.4 | 166.9 | 38.3 | 0 | 0 | 0 | 0 | 108.1 | S3 L7 | S3-S5 VanDerWaalsContact C-N 3.29Å; S3-S5 PolarHBondContact O-N 3.43Å; S5-L7 PolarHBondContact O-N 3.31Å | ||
| 6 | F | 36.8 | Very low | 47 | Very low | 207 Ų | 207 | 155.8 Ų | 155.8 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -47.9 | 113.6 | 164 | -98.2 | -105.2 | 0 | 0 | 0 | 108.8 | L4 S8 | L4-F6 PolarHBondContact O-N 3.04Å; L4-F6 VanDerWaalsContact O-N 3.11Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.08Å | ||
| 7 | L | 39.5 | Very low | 49 | Very low | 151 Ų | 151 | 153.1 Ų | 153.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 93.6 | 175.6 | -145.3 | 85.2 | 0 | 0 | 0 | 107.4 | S5 F9 | S5-L7 PolarHBondContact O-N 3.31Å; L7-F9 PolarHBondContact O-N 2.92Å | ||
| 8 | S | 40.4 | Very low | 51.1 | Low | 84 Ų | 84 | 148.4 Ų | 148.4 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | trans | -57.9 | 111.9 | 164.8 | 174.6 | 0 | 0 | 0 | 0 | 106.8 | F6 R10 | F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.08Å; S8-R10 PolarHBondContact O-N 3.18Å | ||
| 9 | F | 41.1 | Very low | 53 | Low | 193 Ų | 193 | 149.4 Ų | 149.4 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -59.6 | 87.1 | 165.1 | -83.9 | -90.5 | 0 | 0 | 0 | 107.9 | L7 L11 | L7-F9 PolarHBondContact O-N 2.92Å; F9-L11 PolarHBondContact O-N 3.21Å; F9-L11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | R | 45.5 | Very low | 54.5 | Low | 210 Ų | 210 | 153.4 Ų | 153.4 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -62.4 | 109.2 | 163.8 | -67.9 | -81.1 | -161.6 | -142.8 | 1.5 | 105.4 | S8 T12 | S8-R10 PolarHBondContact O-N 3.18Å; R10-T12 PolarHBondContact O-N 3.19Å | ||
| 11 | L | 51.1 | Low | 55.9 | Low | 174 Ų | 174 | 148.9 Ų | 148.9 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -51.9 | 111.1 | 159.7 | -64.3 | 170.4 | 0 | 0 | 0 | 106 | F9 | F9-L11 PolarHBondContact O-N 3.21Å; F9-L11 VanDerWaalsContact O-N 3.13Å | ||
| 12 | T | 48.3 | Very low | 58.3 | Low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | -62.4 | 148.8 | 179.6 | 42.6 | 0 | 0 | 0 | 0 | 109.4 | R10 I14 | R10-T12 PolarHBondContact O-N 3.19Å; T12-I14 PolarHBondContact O-N 2.96Å | ||
| 13 | P | 59.8 | Low | 60.9 | Low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -56.6 | 136.9 | 171.2 | 23.8 | -32.1 | 0 | 0 | 0 | 109.3 | S15 | P13-S15 PolarHBondContact O-N 3.24Š| ||
| 14 | I | 64.3 | Low | 63.7 | Low | 172 Ų | 172 | 140.4 Ų | 140.4 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | trans | -52.3 | 105.1 | 177.8 | -62.5 | 163 | 0 | 0 | 0 | 107.8 | T12 | T12-I14 PolarHBondContact O-N 2.96Š| ||
| 15 | S | 67.1 | Low | 65.9 | Low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | trans | -73 | 140 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 109.1 | P13 I17 | P13-S15 PolarHBondContact O-N 3.24Å; S15-I17 PolarHBondContact O-N 3.02Å; S15-I17 VanDerWaalsContact O-N 3.13Å | ||
| 16 | K | 78.2 | Confident | 68.4 | Low | 211 Ų | 211 | 141.2 Ų | 141.2 | 92% | 0.917 | 72% | 0.72 | S | S | * | * | trans | -68.7 | 111.2 | 174.1 | -68.9 | -177.5 | -179.7 | 178.3 | 0 | 108.4 | ||||
| 17 | I | 80.8 | Confident | 71.1 | Confident | 111 Ų | 111 | 134.6 Ų | 134.6 | 57% | 0.569 | 70% | 0.7 | S | S | * | * | trans | -69.4 | 139.4 | 176.1 | -57.2 | 172.2 | 0 | 0 | 0 | 108.6 | S15 A21 L22 | S15-I17 PolarHBondContact O-N 3.02Å; S15-I17 VanDerWaalsContact O-N 3.13Å; I17-A21 HydrophobicContact CG2-CB 3.61Å; I17-L22 HydrophobicContact CB-CD2 4.38Å; I17-L22 HydrophobicContact CG2-CD2 3.98Å; I17-L22 HydrophobicContact CG2-CG 4.09Å | ||
| 18 | S | 87.3 | Confident | 73.7 | Confident | 69 Ų | 69 | 134.9 Ų | 134.9 | 48% | 0.483 | 70% | 0.697 | S | S | . | * | trans | -69.3 | 151 | 178 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | W20 A21 L22 | S18-W20 PolarHBondContact O-N 3.34Å; S18-A21 PolarHBondContact O-N 3.35Å; S18-A21 VanDerWaalsContact O-N 3.11Å; S18-A21 WeakPolarHBondContact OG-CB 3.35Å; S18-A21 PolarHBondContact OG-N 2.92Å; S18-L22 PolarHBondContact O-N 3.4Å | ||
| 19 | K | 86.8 | Confident | 76.3 | Confident | 167 Ų | 167 | 139.1 Ų | 139.1 | 73% | 0.726 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -56.1 | -36.9 | 177.8 | -63.9 | -174.5 | -177.6 | -179.3 | 0 | 112 | L22 H23 | K19-L22 WeakPolarHBondContact O-CB 3.37Å; K19-L22 PolarHBondContact O-N 3.47Å; K19-H23 PolarHBondContact O-CD2 3.31Å; K19-H23 PolarHBondContact O-N 3.2Å |
| 20 | W | 83.8 | Confident | 78.9 | Confident | 229 Ų | 229 | 133.5 Ų | 133.5 | 87% | 0.867 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.6 | -37.3 | 178.8 | -63.9 | -13.9 | 0 | 0 | 0 | 113.4 | S18 L22 H23 A24 | S18-W20 PolarHBondContact O-N 3.34Å; W20-L22 VanDerWaalsContact C-N 3.26Å; W20-L22 PolarHBondContact O-N 3.4Å; W20-H23 CarbonylContact O-C 3.5Å; W20-H23 PolarHBondContact O-N 2.66Å; W20-A24 PolarHBondContact O-N 2.81Å; W20-A24 VanDerWaalsContact O-N 3.08Å |
| 21 | A | 84.6 | Confident | 81.2 | Confident | 58 Ų | 58 | 126.1 Ų | 126.1 | 48% | 0.479 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.9 | -29.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I17 S18 H23 | I17-A21 HydrophobicContact CG2-CB 3.61Å; S18-A21 PolarHBondContact O-N 3.35Å; S18-A21 VanDerWaalsContact O-N 3.11Å; S18-A21 WeakPolarHBondContact OG-CB 3.35Å; S18-A21 PolarHBondContact OG-N 2.92Å; A21-H23 VanDerWaalsContact C-N 3.34Å |
| 22 | L | 83.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 123.8 Ų | 123.8 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.8 | -26.8 | 173.5 | -63.1 | 174.3 | 0 | 0 | 0 | 113.3 | I17 S18 K19 W20 | I17-L22 HydrophobicContact CB-CD2 4.38Å; I17-L22 HydrophobicContact CG2-CD2 3.98Å; I17-L22 HydrophobicContact CG2-CG 4.09Å; S18-L22 PolarHBondContact O-N 3.4Å; K19-L22 WeakPolarHBondContact O-CB 3.37Å; K19-L22 PolarHBondContact O-N 3.47Å; W20-L22 VanDerWaalsContact C-N 3.26Å; W20-L22 PolarHBondContact O-N 3.4Å |
| 23 | H | 86.3 | Confident | 85.3 | Confident | 135 Ų | 135 | 124.1 Ų | 124.1 | 63% | 0.625 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 4.6 | -179.9 | -66.4 | -60.7 | 0 | 0 | 0 | 113.6 | K19 W20 A21 F25 | K19-H23 PolarHBondContact O-CD2 3.31Å; K19-H23 PolarHBondContact O-N 3.2Å; W20-H23 CarbonylContact O-C 3.5Å; W20-H23 PolarHBondContact O-N 2.66Å; A21-H23 VanDerWaalsContact C-N 3.34Å; H23-F25 WeakPolarHBondContact O-CD2 3.49Å; H23-F25 PolarHBondContact O-N 3.09Å |
| 24 | A | 90.1 | Very high | 86.9 | Confident | 72 Ų | 72 | 122.3 Ų | 122.3 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | W20 | W20-A24 PolarHBondContact O-N 2.81Å; W20-A24 VanDerWaalsContact O-N 3.08Å |
| 25 | F | 89.6 | Confident | 88.3 | Confident | 189 Ų | 189 | 120.4 Ų | 120.4 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 136.7 | 172.7 | -66.5 | -82 | 0 | 0 | 0 | 110.2 | H23 | H23-F25 WeakPolarHBondContact O-CD2 3.49Å; H23-F25 PolarHBondContact O-N 3.09Å |
| 26 | P | 91.1 | Very high | 89.4 | Confident | 82 Ų | 82 | 121.2 Ų | 121.2 | 53% | 0.532 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 144.8 | 174.9 | 28.3 | -33.8 | 0 | 0 | 0 | 110.5 | V30 C31 | P26-V30 HydrophobicContact CB-CB 4.21Å; P26-V30 HydrophobicContact CB-CG1 3.95Å; P26-C31 VanDerWaalsContact CG-SG 3.58Å |
| 27 | S | 94.3 | Very high | 89.9 | Confident | 68 Ų | 68 | 122.3 Ų | 122.3 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 158.2 | 169.8 | 66.3 | 0 | 0 | 0 | 0 | 110.7 | R29 V30 C31 | S27-R29 VanDerWaalsContact C-N 3.27Å; S27-R29 PolarHBondContact O-N 3.45Å; S27-V30 WeakPolarHBondContact O-CA 3.32Å; S27-V30 WeakPolarHBondContact O-CB 3.38Å; S27-V30 PolarHBondContact O-N 3.1Å; S27-V30 WeakPolarHBondContact OG-CG2 3.49Å; S27-C31 PolarHBondContact O-N 3Å |
| 28 | E | 94.7 | Very high | 90.1 | Very high | 158 Ų | 158 | 122.9 Ų | 122.9 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -52 | -45.8 | 179.1 | -174.1 | 172.4 | -154.3 | 0 | 0 | 112.2 | V30 C31 E32 | E28-V30 VanDerWaalsContact C-N 3.31Å; E28-V30 PolarHBondContact O-N 3.45Å; E28-C31 WeakPolarHBondContact O-CA 3.48Å; E28-C31 WeakPolarHBondContact O-CB 3.35Å; E28-C31 PolarHBondContact O-N 3.49Å; E28-C31 VanDerWaalsContact O-N 3.08Å; E28-E32 WeakPolarHBondContact O-CG 3.45Å; E28-E32 PolarHBondContact O-N 3.01Å |
| 29 | R | 94.9 | Very high | 90.1 | Very high | 173 Ų | 173 | 127.7 Ų | 127.7 | 65% | 0.653 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -57.6 | -39.4 | 174.1 | -177.7 | 179.9 | 179.9 | 85.5 | -0.4 | 113.2 | S27 C31 E32 L33 | S27-R29 VanDerWaalsContact C-N 3.27Å; S27-R29 PolarHBondContact O-N 3.45Å; R29-C31 VanDerWaalsContact C-N 3.34Å; R29-E32 PolarHBondContact O-N 2.9Å; R29-L33 HydrophobicContact CG-CD1 4.12Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 VanDerWaalsContact O-CG 3.27Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.25Å |
| 30 | V | 94.4 | Very high | 90.2 | Very high | 75 Ų | 75 | 123.3 Ų | 123.3 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.8 | -38.6 | 177.9 | 172 | 0 | 0 | 0 | 0 | 110 | P26 S27 E28 L33 A34 | P26-V30 HydrophobicContact CB-CB 4.21Å; P26-V30 HydrophobicContact CB-CG1 3.95Å; S27-V30 WeakPolarHBondContact O-CA 3.32Å; S27-V30 WeakPolarHBondContact O-CB 3.38Å; S27-V30 PolarHBondContact O-N 3.1Å; S27-V30 WeakPolarHBondContact OG-CG2 3.49Å; E28-V30 VanDerWaalsContact C-N 3.31Å; E28-V30 PolarHBondContact O-N 3.45Å; V30-L33 PolarHBondContact O-N 3.2Å; V30-A34 VanDerWaalsContact O-CB 3.24Å; V30-A34 WeakPolarHBondContact O-CB 3.43Å; V30-A34 PolarHBondContact O-N 3.44Å |
| 31 | C | 93.6 | Very high | 90.5 | Very high | 55 Ų | 55 | 124.9 Ų | 124.9 | 37% | 0.372 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -61.8 | -42.9 | 173.7 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | P26 S27 E28 R29 A34 Q35 | P26-C31 VanDerWaalsContact CG-SG 3.58Å; S27-C31 PolarHBondContact O-N 3Å; E28-C31 WeakPolarHBondContact O-CA 3.48Å; E28-C31 WeakPolarHBondContact O-CB 3.35Å; E28-C31 PolarHBondContact O-N 3.49Å; E28-C31 VanDerWaalsContact O-N 3.08Å; R29-C31 VanDerWaalsContact C-N 3.34Å; C31-A34 PolarHBondContact O-N 3.42Å; C31-Q35 PolarHBondContact O-N 2.91Å |
| 32 | E | 93.8 | Very high | 90.5 | Very high | 124 Ų | 124 | 125.4 Ų | 125.4 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.3 | -46.3 | 175.5 | -70.3 | 176.5 | 169.8 | 0 | 0 | 112 | E28 R29 A34 Q35 | E28-E32 WeakPolarHBondContact O-CG 3.45Å; E28-E32 PolarHBondContact O-N 3.01Å; R29-E32 PolarHBondContact O-N 2.9Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 3.41Å; E32-Q35 WeakPolarHBondContact O-CB 3.35Å; E32-Q35 PolarHBondContact O-N 3.4Å |
| 33 | L | 92.1 | Very high | 90.7 | Very high | 126 Ų | 126 | 125.7 Ų | 125.7 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.2 | -25.8 | -180 | -70.3 | 174.8 | 0 | 0 | 0 | 113.2 | R29 V30 | R29-L33 HydrophobicContact CG-CD1 4.12Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 VanDerWaalsContact O-CG 3.27Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.25Å; V30-L33 PolarHBondContact O-N 3.2Å |
| 34 | A | 93.5 | Very high | 90.3 | Very high | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.4 | -14.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V30 C31 E32 | V30-A34 VanDerWaalsContact O-CB 3.24Å; V30-A34 WeakPolarHBondContact O-CB 3.43Å; V30-A34 PolarHBondContact O-N 3.44Å; C31-A34 PolarHBondContact O-N 3.42Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 3.41Å |
| 35 | Q | 93.8 | Very high | 89.7 | Confident | 133 Ų | 133 | 126.2 Ų | 126.2 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -64.3 | 132.8 | 174.2 | -63.1 | -62 | -22.3 | 0 | 0 | 109.9 | C31 E32 | C31-Q35 PolarHBondContact O-N 2.91Å; E32-Q35 WeakPolarHBondContact O-CB 3.35Å; E32-Q35 PolarHBondContact O-N 3.4Å |
| 36 | P | 90.8 | Very high | 88.8 | Confident | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 146.9 | 175.7 | 27.6 | -34 | 0 | 0 | 0 | 110 | ||
| 37 | R | 87.8 | Confident | 87.7 | Confident | 234 Ų | 234 | 129.4 Ų | 129.4 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.9 | 173.4 | -69.4 | -174.9 | 175.6 | -162.1 | -1.8 | 109.5 | ||
| 38 | P | 86.4 | Confident | 86.4 | Confident | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -61 | 144.2 | 174.9 | 26.3 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 39 | Y | 87.1 | Confident | 85.1 | Confident | 170 Ų | 170 | 131.6 Ų | 131.6 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148 | 175.7 | -58.7 | -72.1 | 0 | 0 | 0 | 110.9 | W43 | Y39-W43 AromaticContact CD1-CD2 3.57Å; Y39-W43 HydrophobicContact CD1-CD2 3.57Å; Y39-W43 AromaticContact CD1-CE2 3.88Å; Y39-W43 AromaticContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CG 4.18Å; Y39-W43 HydrophobicContact CD1-CH2 4.08Å; Y39-W43 HydrophobicContact CD1-CZ2 4.13Å; Y39-W43 AromaticContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD2-CE3 4.09Å; Y39-W43 HydrophobicContact CD2-CZ3 4.22Å; Y39-W43 HydrophobicContact CE1-CD2 4.2Å; Y39-W43 AromaticContact CE1-CE3 3.96Å; Y39-W43 HydrophobicContact CE1-CE3 3.96Å; Y39-W43 AromaticContact CE1-CH2 3.68Å; Y39-W43 HydrophobicContact CE1-CH2 3.68Å; Y39-W43 AromaticContact CE1-CZ2 3.93Å; Y39-W43 HydrophobicContact CE1-CZ2 3.93Å; Y39-W43 AromaticContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE2-CE3 4.47Å; Y39-W43 HydrophobicContact CE2-CZ3 4.14Å; Y39-W43 AromaticContact CG-CD2 3.95Å; Y39-W43 HydrophobicContact CG-CD2 3.95Å; Y39-W43 AromaticContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CG 4.43Å; Y39-W43 HydrophobicContact CG-CZ3 4.05Å; Y39-W43 AromaticContact CZ-CZ3 3.88Å |
| 40 | A | 88.8 | Confident | 83.8 | Confident | 75 Ų | 75 | 129 Ų | 129 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 149.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G42 W43 | A40-G42 PolarHBondContact O-N 3.01Å; A40-G42 VanDerWaalsContact O-N 3.14Å; A40-W43 VanDerWaalsContact O-CB 3.25Å; A40-W43 WeakPolarHBondContact O-CB 3.35Å; A40-W43 PolarHBondContact O-N 2.79Å |
| 41 | R | 88.9 | Confident | 82.8 | Confident | 261 Ų | 261 | 132.4 Ų | 132.4 | 99% | 0.985 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 120.1 | 177.7 | -166.4 | -170.1 | -64.9 | -126.2 | 3.2 | 109.3 | ||
| 42 | G | 86.1 | Confident | 81.9 | Confident | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.3 | 4.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | A40 Q44 | A40-G42 PolarHBondContact O-N 3.01Å; A40-G42 VanDerWaalsContact O-N 3.14Å; G42-Q44 PolarHBondContact O-N 3.45Å |
| 43 | W | 85.9 | Confident | 81.4 | Confident | 127 Ų | 127 | 134.1 Ų | 134.1 | 48% | 0.481 | 72% | 0.716 | S | S | . | * | trans | -63 | 124.9 | 169.5 | -175.2 | 86.4 | 0 | 0 | 0 | 109.9 | Y39 A40 P45 | Y39-W43 AromaticContact CD1-CD2 3.57Å; Y39-W43 HydrophobicContact CD1-CD2 3.57Å; Y39-W43 AromaticContact CD1-CE2 3.88Å; Y39-W43 AromaticContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CG 4.18Å; Y39-W43 HydrophobicContact CD1-CH2 4.08Å; Y39-W43 HydrophobicContact CD1-CZ2 4.13Å; Y39-W43 AromaticContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD2-CE3 4.09Å; Y39-W43 HydrophobicContact CD2-CZ3 4.22Å; Y39-W43 HydrophobicContact CE1-CD2 4.2Å; Y39-W43 AromaticContact CE1-CE3 3.96Å; Y39-W43 HydrophobicContact CE1-CE3 3.96Å; Y39-W43 AromaticContact CE1-CH2 3.68Å; Y39-W43 HydrophobicContact CE1-CH2 3.68Å; Y39-W43 AromaticContact CE1-CZ2 3.93Å; Y39-W43 HydrophobicContact CE1-CZ2 3.93Å; Y39-W43 AromaticContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE2-CE3 4.47Å; Y39-W43 HydrophobicContact CE2-CZ3 4.14Å; Y39-W43 AromaticContact CG-CD2 3.95Å; Y39-W43 HydrophobicContact CG-CD2 3.95Å; Y39-W43 AromaticContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CG 4.43Å; Y39-W43 HydrophobicContact CG-CZ3 4.05Å; Y39-W43 AromaticContact CZ-CZ3 3.88Å; A40-W43 VanDerWaalsContact O-CB 3.25Å; A40-W43 WeakPolarHBondContact O-CB 3.35Å; A40-W43 PolarHBondContact O-N 2.79Å; W43-P45 HydrophobicContact CH2-CB 3.84Å; W43-P45 HydrophobicContact CH2-CG 4.5Å; W43-P45 HydrophobicContact CZ2-CB 4.44Å; W43-P45 HydrophobicContact CZ3-CB 4.21Å; W43-P45 HydrophobicContact CZ3-CG 4.38Å | ||
| 44 | Q | 79.4 | Confident | 81.3 | Confident | 153 Ų | 153 | 131.1 Ų | 131.1 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | trans | -119.9 | 136.5 | 170.9 | -65.9 | -69.8 | -28.2 | 0 | 0 | 106.7 | G42 E46 | G42-Q44 PolarHBondContact O-N 3.45Å; Q44-E46 PolarHBondContact O-N 3.4Å | ||
| 45 | P | 76.6 | Confident | 81 | Confident | 66 Ų | 66 | 137.8 Ų | 137.8 | 43% | 0.429 | 71% | 0.714 | S | S | . | * | trans | -59.3 | 134.9 | 169.7 | 26 | -31.8 | 0 | 0 | 0 | 108.7 | W43 L47 | W43-P45 HydrophobicContact CH2-CB 3.84Å; W43-P45 HydrophobicContact CH2-CG 4.5Å; W43-P45 HydrophobicContact CZ2-CB 4.44Å; W43-P45 HydrophobicContact CZ3-CB 4.21Å; W43-P45 HydrophobicContact CZ3-CG 4.38Å; P45-L47 PolarHBondContact O-N 3.07Å | ||
| 46 | E | 70.5 | Confident | 80.8 | Confident | 200 Ų | 200 | 134.8 Ų | 134.8 | 94% | 0.935 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -55.5 | -22.5 | 178.4 | -94.7 | -176.1 | 159.2 | 0 | 0 | 113 | Q44 | Q44-E46 PolarHBondContact O-N 3.4Š|
| 47 | L | 67.9 | Low | 80.6 | Confident | 138 Ų | 138 | 133.1 Ų | 133.1 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -123 | 123.9 | -179.6 | -65.2 | 164.6 | 0 | 0 | 0 | 108.4 | P45 | P45-L47 PolarHBondContact O-N 3.07Š|
| 48 | P | 66.8 | Low | 80.6 | Confident | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -55.6 | 147.3 | 162.2 | 24.8 | -30.7 | 0 | 0 | 0 | 108.5 | ||||
| 49 | L | 67.4 | Low | 80.9 | Confident | 160 Ų | 160 | 127.2 Ų | 127.2 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -31.7 | 148.9 | 173.6 | -70.4 | 167.9 | 0 | 0 | 0 | 113.1 | I51 | L49-I51 PolarHBondContact O-N 3.39Š|
| 50 | P | 67.1 | Low | 81.1 | Confident | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -40.5 | 125.4 | -163.2 | 13.9 | -30.8 | 0 | 0 | 0 | 112.7 | P52 | P50-P52 VanDerWaalsContact O-N 3.15Š|
| 51 | I | 73.6 | Confident | 81.3 | Confident | 145 Ų | 145 | 125.9 Ų | 125.9 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | trans | -43.1 | 123.5 | 177 | -58.5 | 164.5 | 0 | 0 | 0 | 107.5 | L49 V53 | L49-I51 PolarHBondContact O-N 3.39Å; I51-V53 PolarHBondContact O-N 3.13Å | ||
| 52 | P | 76.1 | Confident | 81.5 | Confident | 125 Ų | 125 | 116.4 Ų | 116.4 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | trans | -58 | 109.8 | -177.7 | 21.8 | -31.9 | 0 | 0 | 0 | 108.7 | P50 | P50-P52 VanDerWaalsContact O-N 3.15Š| ||
| 53 | V | 81.9 | Confident | 82 | Confident | 90 Ų | 90 | 115.8 Ų | 115.8 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | trans | -74.5 | 140.3 | 176.7 | -75.7 | 0 | 0 | 0 | 0 | 108.9 | I51 L58 | I51-V53 PolarHBondContact O-N 3.13Å; V53-L58 HydrophobicContact CG2-CD1 4.14Å; V53-L58 HydrophobicContact CG2-CD2 3.52Å; V53-L58 HydrophobicContact CG2-CG 3.73Å | ||
| 54 | S | 89.7 | Confident | 82.4 | Confident | 63 Ų | 63 | 115.4 Ų | 115.4 | 44% | 0.441 | 67% | 0.671 | S | S | . | * | trans | -60 | 150.5 | 178.3 | 79.5 | 0 | 0 | 0 | 0 | 111 | A56 S57 L58 | S54-A56 PolarHBondContact O-N 3.14Å; S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 3.14Å; S54-S57 PolarHBondContact OG-N 3.35Å; S54-S57 VanDerWaalsContact OG-N 3.15Å; S54-S57 PolarHBondContact OG-OG 3.03Å; S54-L58 PolarHBondContact O-N 3.25Å | ||
| 55 | R | 88.9 | Confident | 83.2 | Confident | 220 Ų | 220 | 117.1 Ų | 117.1 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -54.6 | -38.1 | 173.7 | -81.6 | -170.5 | 171.3 | 172.8 | -1.5 | 112.1 | S57 L58 T59 | R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.21Å; R55-L58 PolarHBondContact O-N 2.93Å; R55-L58 VanDerWaalsContact O-N 3.14Å; R55-T59 PolarHBondContact O-N 3.31Å; R55-T59 PolarHBondContact O-OG1 3.01Å; R55-T59 VanDerWaalsContact O-OG1 3.07Å |
| 56 | A | 89.6 | Confident | 84.1 | Confident | 69 Ų | 69 | 117.3 Ų | 117.3 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60.3 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S54 A60 | S54-A56 PolarHBondContact O-N 3.14Å; A56-A60 WeakPolarHBondContact O-CB 3.24Å; A56-A60 PolarHBondContact O-N 3.13Å; A56-A60 VanDerWaalsContact O-N 3.07Å |
| 57 | S | 86.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 111.1 Ų | 111.1 | 53% | 0.531 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.3 | -37.4 | 175.5 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | S54 R55 | S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 3.14Å; S54-S57 PolarHBondContact OG-N 3.35Å; S54-S57 VanDerWaalsContact OG-N 3.15Å; S54-S57 PolarHBondContact OG-OG 3.03Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.21Å |
| 58 | L | 87.3 | Confident | 86.5 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.1 | -31 | 177.8 | -69 | 172.8 | 0 | 0 | 0 | 112.9 | V53 S54 R55 | V53-L58 HydrophobicContact CG2-CD1 4.14Å; V53-L58 HydrophobicContact CG2-CD2 3.52Å; V53-L58 HydrophobicContact CG2-CG 3.73Å; S54-L58 PolarHBondContact O-N 3.25Å; R55-L58 PolarHBondContact O-N 2.93Å; R55-L58 VanDerWaalsContact O-N 3.14Å |
| 59 | T | 92.5 | Very high | 87.7 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 66% | 0.663 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 6.2 | -178.1 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | R55 V61 | R55-T59 PolarHBondContact O-N 3.31Å; R55-T59 PolarHBondContact O-OG1 3.01Å; R55-T59 VanDerWaalsContact O-OG1 3.07Å; T59-V61 PolarHBondContact O-N 3.28Å |
| 60 | A | 92.1 | Very high | 88.9 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A56 | A56-A60 WeakPolarHBondContact O-CB 3.24Å; A56-A60 PolarHBondContact O-N 3.13Å; A56-A60 VanDerWaalsContact O-N 3.07Å |
| 61 | V | 93.1 | Very high | 90.1 | Very high | 141 Ų | 141 | 109.8 Ų | 109.8 | 86% | 0.855 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -95 | 132.8 | 174.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | T59 | T59-V61 PolarHBondContact O-N 3.28Š|
| 62 | A | 92.2 | Very high | 90.8 | Very high | 62 Ų | 62 | 108.4 Ų | 108.4 | 51% | 0.512 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 136.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 63 | S | 95.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 110.6 Ų | 110.6 | 39% | 0.385 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 155.4 | 174.1 | 77 | 0 | 0 | 0 | 0 | 112 | R65 T66 C67 | S63-R65 PolarHBondContact O-N 3.42Å; S63-R65 VanDerWaalsContact O-N 3.15Å; S63-T66 WeakPolarHBondContact CA-OG1 3.27Å; S63-T66 PolarHBondContact N-OG1 3.08Å; S63-T66 PolarHBondContact O-N 3.47Å; S63-T66 VanDerWaalsContact O-N 3.09Å; S63-T66 PolarHBondContact O-OG1 3.19Å; S63-T66 PolarHBondContact OG-N 3Å; S63-T66 PolarHBondContact OG-OG1 3.28Å; S63-C67 PolarHBondContact O-N 3.24Å; S63-C67 PolarHBondContact O-SG 3.2Å; S63-C67 VanDerWaalsContact O-SG 3.4Å |
| 64 | P | 96 | Very high | 91.2 | Very high | 120 Ų | 120 | 114.8 Ų | 114.8 | 78% | 0.779 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -55 | -35.3 | 174.9 | -27 | 34.8 | 0 | 0 | 0 | 113.3 | C67 K68 | P64-C67 PolarHBondContact O-N 3.32Å; P64-K68 PolarHBondContact O-N 3.25Å |
| 65 | R | 95.3 | Very high | 90.3 | Very high | 189 Ų | 189 | 121.8 Ų | 121.8 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.3 | -46.7 | 177 | -178.3 | -176.8 | 174 | 96.9 | -0.4 | 111.8 | S63 C67 K68 L69 | S63-R65 PolarHBondContact O-N 3.42Å; S63-R65 VanDerWaalsContact O-N 3.15Å; R65-C67 VanDerWaalsContact C-N 3.32Å; R65-C67 PolarHBondContact O-N 3.11Å; R65-K68 PolarHBondContact O-N 3.39Å; R65-L69 HydrophobicContact CG-CD1 4.21Å; R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 3.2Å |
| 66 | T | 94.9 | Very high | 89.7 | Confident | 70 Ų | 70 | 120.9 Ų | 120.9 | 43% | 0.429 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -61.2 | -41.3 | 176.5 | 31.5 | 0 | 0 | 0 | 0 | 111.3 | S63 K68 L69 A70 | S63-T66 WeakPolarHBondContact CA-OG1 3.27Å; S63-T66 PolarHBondContact N-OG1 3.08Å; S63-T66 PolarHBondContact O-N 3.47Å; S63-T66 VanDerWaalsContact O-N 3.09Å; S63-T66 PolarHBondContact O-OG1 3.19Å; S63-T66 PolarHBondContact OG-N 3Å; S63-T66 PolarHBondContact OG-OG1 3.28Å; T66-K68 VanDerWaalsContact C-N 3.34Å; T66-K68 PolarHBondContact O-N 3.12Å; T66-L69 PolarHBondContact O-N 3.22Å; T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.28Å |
| 67 | C | 95.1 | Very high | 88.7 | Confident | 69 Ų | 69 | 123.1 Ų | 123.1 | 47% | 0.466 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -61.9 | -40.3 | 174.7 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | S63 P64 R65 A70 | S63-C67 PolarHBondContact O-N 3.24Å; S63-C67 PolarHBondContact O-SG 3.2Å; S63-C67 VanDerWaalsContact O-SG 3.4Å; P64-C67 PolarHBondContact O-N 3.32Å; R65-C67 VanDerWaalsContact C-N 3.32Å; R65-C67 PolarHBondContact O-N 3.11Å; C67-A70 PolarHBondContact O-N 3.31Å |
| 68 | K | 94.6 | Very high | 87.5 | Confident | 160 Ų | 160 | 128.5 Ų | 128.5 | 70% | 0.696 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.4 | -42.3 | 176.4 | -174.2 | 176.1 | -178.2 | 175.5 | 0 | 112.5 | P64 R65 T66 Q71 | P64-K68 PolarHBondContact O-N 3.25Å; R65-K68 PolarHBondContact O-N 3.39Å; T66-K68 VanDerWaalsContact C-N 3.34Å; T66-K68 PolarHBondContact O-N 3.12Å; K68-Q71 WeakPolarHBondContact O-CB 3.25Å; K68-Q71 PolarHBondContact O-N 3.37Å |
| 69 | L | 92.1 | Very high | 86.3 | Confident | 123 Ų | 123 | 128.2 Ų | 128.2 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.3 | -29.5 | 179.3 | -69.7 | 175.8 | 0 | 0 | 0 | 112.9 | R65 T66 Q71 | R65-L69 HydrophobicContact CG-CD1 4.21Å; R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 3.2Å; T66-L69 PolarHBondContact O-N 3.22Å; L69-Q71 PolarHBondContact O-N 3.03Å |
| 70 | A | 92.5 | Very high | 84.6 | Confident | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -12.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T66 C67 | T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.28Å; C67-A70 PolarHBondContact O-N 3.31Å |
| 71 | Q | 92.4 | Very high | 82.7 | Confident | 137 Ų | 137 | 132 Ų | 132 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -65.7 | 129.4 | 175.6 | -63.7 | -173.2 | 3.5 | 0 | 0 | 110.4 | K68 L69 K73 | K68-Q71 WeakPolarHBondContact O-CB 3.25Å; K68-Q71 PolarHBondContact O-N 3.37Å; L69-Q71 PolarHBondContact O-N 3.03Å; Q71-K73 PolarHBondContact O-N 3.14Å |
| 72 | P | 88.2 | Confident | 80.9 | Confident | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | -62.9 | 138.7 | 178.7 | 26.6 | -34.2 | 0 | 0 | 0 | 110.2 | K74 | P72-K74 PolarHBondContact O-N 2.87Š| ||
| 73 | K | 84.4 | Confident | 79.3 | Confident | 172 Ų | 172 | 134.8 Ų | 134.8 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -63.4 | 113 | 175.7 | -174.8 | 171.8 | -178.8 | 170.2 | 0 | 109.3 | Q71 R75 | Q71-K73 PolarHBondContact O-N 3.14Å; K73-R75 PolarHBondContact O-N 3.13Å | ||
| 74 | K | 82 | Confident | 77.3 | Confident | 178 Ų | 178 | 139.9 Ų | 139.9 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 107.3 | 172.3 | -65.3 | -175.8 | -178.7 | -178.2 | 0 | 108.8 | P72 | P72-K74 PolarHBondContact O-N 2.87Š| ||
| 75 | R | 71.6 | Confident | 75.2 | Confident | 210 Ų | 210 | 139.4 Ų | 139.4 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -82.9 | 111.6 | 168.1 | -62 | -78.9 | -157.4 | -164.7 | 1.4 | 105.8 | K73 | K73-R75 PolarHBondContact O-N 3.13Š| ||
| 76 | Y | 75.1 | Confident | 73.5 | Confident | 201 Ų | 201 | 138.2 Ų | 138.2 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.9 | 161.9 | -64.5 | -79.3 | 0 | 0 | 0 | 107.9 | K78 | Y76-K78 PolarHBondContact O-N 3Š|
| 77 | S | 67.9 | Low | 71.5 | Confident | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -51 | 116 | 171.3 | 49.1 | 0 | 0 | 0 | 0 | 107.4 | ||
| 78 | K | 62.9 | Low | 69.7 | Low | 189 Ų | 189 | 148.4 Ų | 148.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.2 | 167.7 | -69.8 | -178.1 | 175.7 | -176.8 | 0 | 106.1 | Y76 E80 | Y76-K78 PolarHBondContact O-N 3Å; K78-E80 PolarHBondContact O-N 2.97Å |
| 79 | P | 61.1 | Low | 67.8 | Low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 136 | 162.5 | -18.8 | 29.9 | 0 | 0 | 0 | 107.5 | ||
| 80 | E | 57.9 | Low | 66.2 | Low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | -40.1 | 135.2 | 171.6 | -78.6 | -66.2 | 139.3 | 0 | 0 | 109.6 | K78 S82 | K78-E80 PolarHBondContact O-N 2.97Å; E80-S82 PolarHBondContact O-N 3.01Å | ||
| 81 | P | 52.2 | Low | 64.5 | Low | 98 Ų | 98 | 147.8 Ų | 147.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -68.9 | 87.4 | 173.8 | 29.7 | -30.3 | 0 | 0 | 0 | 107.2 | H83 | P81-H83 PolarHBondContact O-N 3.07Š| ||
| 82 | S | 55.4 | Low | 62.9 | Low | 90 Ų | 90 | 148.9 Ų | 148.9 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -59.5 | 98.8 | 156.5 | 57.7 | 0 | 0 | 0 | 0 | 105.6 | E80 L84 S85 | E80-S82 PolarHBondContact O-N 3.01Å; S82-L84 PolarHBondContact O-N 2.91Å; S82-S85 PolarHBondContact O-N 3.01Å | ||
| 83 | H | 57.9 | Low | 61.6 | Low | 171 Ų | 171 | 146.2 Ų | 146.2 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -42.9 | 125.9 | 155.3 | -67.9 | -90.6 | 0 | 0 | 0 | 106.1 | P81 | P81-H83 PolarHBondContact O-N 3.07Š|
| 84 | L | 54.8 | Low | 61 | Low | 162 Ų | 162 | 141.9 Ų | 141.9 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | 96.7 | 38.2 | -161.7 | -48.5 | 178.8 | 0 | 0 | 0 | 115.4 | S82 E86 | S82-L84 PolarHBondContact O-N 2.91Å; L84-E86 PolarHBondContact O-N 3.27Å | ||
| 85 | S | 51.3 | Low | 60.5 | Low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -66.6 | 94.1 | 144.4 | 54.4 | 0 | 0 | 0 | 0 | 107 | S82 | S82-S85 PolarHBondContact O-N 3.01Š| ||
| 86 | E | 59.6 | Low | 60.6 | Low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -46.1 | 142.4 | 163.4 | -70.6 | -167.1 | 157 | 0 | 0 | 108.6 | L84 R88 | L84-E86 PolarHBondContact O-N 3.27Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.15Å | ||
| 87 | P | 53.2 | Low | 60.8 | Low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | trans | -57.1 | 105.4 | 172 | 23 | -29.4 | 0 | 0 | 0 | 106.8 | P89 | P87-P89 WeakPolarHBondContact O-CD 3.37Š| ||
| 88 | R | 55.9 | Low | 61.4 | Low | 231 Ų | 231 | 125.8 Ų | 125.8 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | trans | -50.7 | 117.6 | 176.4 | -134.6 | -177.9 | -155.1 | -148.6 | 3.6 | 105.6 | E86 M90 | E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.15Å; R88-M90 PolarHBondContact O-N 3Å; R88-M90 VanDerWaalsContact O-N 3.14Å | ||
| 89 | P | 56 | Low | 62.4 | Low | 95 Ų | 95 | 120 Ų | 120 | 62% | 0.617 | 66% | 0.664 | S | S | * | * | trans | -60.2 | 128.8 | -178.7 | 24.5 | -32 | 0 | 0 | 0 | 106.5 | P87 T91 | P87-P89 WeakPolarHBondContact O-CD 3.37Å; P89-T91 HydrophobicContact CB-CG2 4.02Å; P89-T91 HydrophobicContact CG-CG2 4.2Å; P89-T91 PolarHBondContact O-N 3.07Å; P89-T91 PolarHBondContact O-OG1 3.19Å | ||
| 90 | M | 57 | Low | 63.5 | Low | 150 Ų | 150 | 120 Ų | 120 | 74% | 0.739 | 65% | 0.653 | S | S | * | * | trans | -71.8 | 64.3 | -176.8 | -161.7 | 101.1 | 158.9 | 0 | 0 | 108.8 | R88 H92 L93 | R88-M90 PolarHBondContact O-N 3Å; R88-M90 VanDerWaalsContact O-N 3.14Å; M90-H92 PolarHBondContact O-N 2.86Å; M90-L93 HydrophobicContact CE-CD1 3.84Å; M90-L93 HydrophobicContact CE-CD2 4.13Å; M90-L93 HydrophobicContact CE-CG 4.2Å; M90-L93 HydrophobicContact CG-CD1 3.74Å; M90-L93 HydrophobicContact CG-CG 3.82Å | ||
| 91 | T | 57.6 | Low | 64.8 | Low | 106 Ų | 106 | 116 Ų | 116 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 7.2 | -172.6 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | P89 | P89-T91 HydrophobicContact CB-CG2 4.02Å; P89-T91 HydrophobicContact CG-CG2 4.2Å; P89-T91 PolarHBondContact O-N 3.07Å; P89-T91 PolarHBondContact O-OG1 3.19Å |
| 92 | H | 59.1 | Low | 66.4 | Low | 159 Ų | 159 | 114.6 Ų | 114.6 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 14.7 | -174.4 | -65 | -70.8 | 0 | 0 | 0 | 114.8 | M90 T94 | M90-H92 PolarHBondContact O-N 2.86Å; H92-T94 PolarHBondContact O-N 2.87Å |
| 93 | L | 60.2 | Low | 68 | Low | 61 Ų | 61 | 116 Ų | 116 | 32% | 0.319 | 63% | 0.627 | S | S | . | * | trans | -89 | 99.1 | 171.1 | -60.5 | -178.1 | 0 | 0 | 0 | 109.1 | M90 H97 L98 L101 | M90-L93 HydrophobicContact CE-CD1 3.84Å; M90-L93 HydrophobicContact CE-CD2 4.13Å; M90-L93 HydrophobicContact CE-CG 4.2Å; M90-L93 HydrophobicContact CG-CD1 3.74Å; M90-L93 HydrophobicContact CG-CG 3.82Å; L93-H97 HydrophobicContact CB-CB 4.22Å; L93-H97 HydrophobicContact CD2-CB 3.87Å; L93-L98 HydrophobicContact CB-CD2 4.01Å; L93-L98 HydrophobicContact CB-CG 4.3Å; L93-L98 HydrophobicContact CD1-CD2 3.83Å; L93-L101 HydrophobicContact CD1-CD1 4.07Å; L93-L101 HydrophobicContact CD2-CD1 4.22Å | ||
| 94 | T | 71.7 | Confident | 69.4 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | trans | -65.4 | 160.7 | 167.1 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | H92 A96 H97 L98 | H92-T94 PolarHBondContact O-N 2.87Å; T94-A96 PolarHBondContact O-N 3.48Å; T94-A96 VanDerWaalsContact O-N 3.11Å; T94-H97 WeakPolarHBondContact O-CA 3.48Å; T94-H97 WeakPolarHBondContact O-CB 3.39Å; T94-H97 PolarHBondContact O-N 3.14Å; T94-H97 PolarHBondContact OG1-CD2 3.41Å; T94-L98 PolarHBondContact O-N 3.2Å; T94-L98 VanDerWaalsContact O-N 3.16Å | ||
| 95 | S | 71 | Confident | 71 | Confident | 102 Ų | 102 | 109.7 Ų | 109.7 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -51.7 | -36.1 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | H97 L98 S99 | S95-H97 PolarHBondContact O-N 2.92Å; S95-L98 PolarHBondContact O-N 2.97Å; S95-S99 PolarHBondContact O-N 3.46Å |
| 96 | A | 75.8 | Confident | 72.8 | Confident | 69 Ų | 69 | 109.4 Ų | 109.4 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.3 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T94 S99 H100 | T94-A96 PolarHBondContact O-N 3.48Å; T94-A96 VanDerWaalsContact O-N 3.11Å; A96-S99 PolarHBondContact O-N 3.41Å; A96-H100 WeakPolarHBondContact O-CB 3.5Å; A96-H100 PolarHBondContact O-N 3.4Å |
| 97 | H | 78.5 | Confident | 74.1 | Confident | 100 Ų | 100 | 107 Ų | 107 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.5 | -38.7 | 175.5 | -80.9 | -129.5 | 0 | 0 | 0 | 112.1 | L93 T94 S95 H100 L101 | L93-H97 HydrophobicContact CB-CB 4.22Å; L93-H97 HydrophobicContact CD2-CB 3.87Å; T94-H97 WeakPolarHBondContact O-CA 3.48Å; T94-H97 WeakPolarHBondContact O-CB 3.39Å; T94-H97 PolarHBondContact O-N 3.14Å; T94-H97 PolarHBondContact OG1-CD2 3.41Å; S95-H97 PolarHBondContact O-N 2.92Å; H97-H100 PolarHBondContact O-N 3.43Å; H97-L101 VanDerWaalsContact O-CB 3.28Å; H97-L101 WeakPolarHBondContact O-CB 3.33Å; H97-L101 WeakPolarHBondContact O-CG 3.38Å; H97-L101 PolarHBondContact O-N 2.93Å |
| 98 | L | 81.4 | Confident | 75.7 | Confident | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.5 | -38.5 | 177 | -63.4 | 178.5 | 0 | 0 | 0 | 111.5 | L93 T94 S95 L101 S102 | L93-L98 HydrophobicContact CB-CD2 4.01Å; L93-L98 HydrophobicContact CB-CG 4.3Å; L93-L98 HydrophobicContact CD1-CD2 3.83Å; T94-L98 PolarHBondContact O-N 3.2Å; T94-L98 VanDerWaalsContact O-N 3.16Å; S95-L98 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 3.24Å; L98-S102 PolarHBondContact O-N 3.09Å; L98-S102 PolarHBondContact O-OG 2.98Å |
| 99 | S | 82 | Confident | 77.1 | Confident | 69 Ų | 69 | 103.4 Ų | 103.4 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | S95 A96 S102 M103 | S95-S99 PolarHBondContact O-N 3.46Å; A96-S99 PolarHBondContact O-N 3.41Å; S99-S102 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.45Å; S99-M103 WeakPolarHBondContact O-CG 3.31Å; S99-M103 PolarHBondContact O-N 3Å |
| 100 | H | 84.7 | Confident | 78.4 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | 175.9 | -174.8 | -105.8 | 0 | 0 | 0 | 111.8 | A96 H97 M103 L104 | A96-H100 WeakPolarHBondContact O-CB 3.5Å; A96-H100 PolarHBondContact O-N 3.4Å; H97-H100 PolarHBondContact O-N 3.43Å; H100-M103 PolarHBondContact O-N 3.39Å; H100-L104 VanDerWaalsContact CE1-CD1 3.44Å; H100-L104 WeakPolarHBondContact CE1-CD1 3.49Å; H100-L104 WeakPolarHBondContact O-CG 3.47Å; H100-L104 PolarHBondContact O-N 3.41Å |
| 101 | L | 85.9 | Confident | 79.8 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 45% | 0.445 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.9 | -43 | 174 | -87.5 | 161.7 | 0 | 0 | 0 | 112.1 | L93 H97 L98 M103 L104 A105 | L93-L101 HydrophobicContact CD1-CD1 4.07Å; L93-L101 HydrophobicContact CD2-CD1 4.22Å; H97-L101 VanDerWaalsContact O-CB 3.28Å; H97-L101 WeakPolarHBondContact O-CB 3.33Å; H97-L101 WeakPolarHBondContact O-CG 3.38Å; H97-L101 PolarHBondContact O-N 2.93Å; L98-L101 PolarHBondContact O-N 3.24Å; L101-M103 VanDerWaalsContact C-N 3.32Å; L101-M103 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 2.75Å; L101-A105 WeakPolarHBondContact O-CB 3.39Å; L101-A105 PolarHBondContact O-N 3.13Å |
| 102 | S | 86 | Confident | 81.2 | Confident | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 176.7 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | L98 S99 A105 I106 | L98-S102 PolarHBondContact O-N 3.09Å; L98-S102 PolarHBondContact O-OG 2.98Å; S99-S102 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.45Å; S102-A105 PolarHBondContact O-N 2.75Å; S102-I106 WeakPolarHBondContact O-CG1 3.41Å; S102-I106 PolarHBondContact O-N 3.24Å |
| 103 | M | 88.5 | Confident | 82.5 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62 | -41.5 | 173.5 | -74.3 | -63.1 | -60.8 | 0 | 0 | 113 | S99 H100 L101 A105 I106 | S99-M103 WeakPolarHBondContact O-CG 3.31Å; S99-M103 PolarHBondContact O-N 3Å; H100-M103 PolarHBondContact O-N 3.39Å; L101-M103 VanDerWaalsContact C-N 3.32Å; L101-M103 PolarHBondContact O-N 2.91Å; M103-A105 VanDerWaalsContact C-N 3.32Å; M103-I106 PolarHBondContact O-N 3.4Å; M103-I106 HydrophobicContact SD-CD1 4.05Å |
| 104 | L | 86.8 | Confident | 83.5 | Confident | 121 Ų | 121 | 106 Ų | 106 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.1 | -25.8 | 177.1 | -71.6 | 178.8 | 0 | 0 | 0 | 113.3 | H100 L101 I106 | H100-L104 VanDerWaalsContact CE1-CD1 3.44Å; H100-L104 WeakPolarHBondContact CE1-CD1 3.49Å; H100-L104 WeakPolarHBondContact O-CG 3.47Å; H100-L104 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 2.75Å; L104-I106 VanDerWaalsContact C-N 3.26Å |
| 105 | A | 89 | Confident | 83.9 | Confident | 79 Ų | 79 | 110 Ų | 110 | 65% | 0.653 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.1 | -16.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L101 S102 M103 P107 | L101-A105 WeakPolarHBondContact O-CB 3.39Å; L101-A105 PolarHBondContact O-N 3.13Å; S102-A105 PolarHBondContact O-N 2.75Å; M103-A105 VanDerWaalsContact C-N 3.32Å; A105-P107 WeakPolarHBondContact O-CD 3.42Å |
| 106 | I | 89.5 | Confident | 84.1 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -68 | 118.8 | 173.1 | -61.3 | 166.7 | 0 | 0 | 0 | 107.9 | S102 M103 L104 K108 | S102-I106 WeakPolarHBondContact O-CG1 3.41Å; S102-I106 PolarHBondContact O-N 3.24Å; M103-I106 PolarHBondContact O-N 3.4Å; M103-I106 HydrophobicContact SD-CD1 4.05Å; L104-I106 VanDerWaalsContact C-N 3.26Å; I106-K108 PolarHBondContact O-N 3.06Å |
| 107 | P | 85.8 | Confident | 84.1 | Confident | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 138.7 | 176.6 | 26.6 | -33.5 | 0 | 0 | 0 | 109.4 | A105 G109 | A105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-G109 PolarHBondContact O-N 2.87Å |
| 108 | K | 86.9 | Confident | 83.5 | Confident | 204 Ų | 204 | 125.1 Ų | 125.1 | 89% | 0.887 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.7 | 174.3 | -65.2 | -175.7 | 178 | -177.2 | 0 | 109.3 | I106 | I106-K108 PolarHBondContact O-N 3.06Š|
| 109 | G | 85.4 | Confident | 82.9 | Confident | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 148.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P107 H111 | P107-G109 PolarHBondContact O-N 2.87Å; G109-H111 PolarHBondContact O-N 3.03Å |
| 110 | E | 84.4 | Confident | 82.3 | Confident | 111 Ų | 111 | 126.3 Ų | 126.3 | 52% | 0.519 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 134.7 | 173 | -69.1 | -172.7 | 166.5 | 0 | 0 | 109.4 | Y114 R116 | E110-Y114 HydrophobicContact CB-CD1 3.91Å; E110-Y114 HydrophobicContact CB-CG 4.45Å; E110-Y114 VanDerWaalsContact CD-CD1 3.47Å; E110-Y114 HydrophobicContact CG-CD1 3.8Å; E110-Y114 HydrophobicContact CG-CE1 4.1Å; E110-Y114 WeakPolarHBondContact OE1-CE1 3.47Å; E110-R116 IonicContact OE1-CZ 3.2Å; E110-R116 IonicContact OE1-NE 2.97Å; E110-R116 PolarHBondContact OE1-NE 2.99Å; E110-R116 IonicContact OE1-NH2 2.7Å; E110-R116 PolarHBondContact OE1-NH2 3.44Å; E110-R116 IonicContact OE2-NE 3.86Å |
| 111 | H | 85.4 | Confident | 81.5 | Confident | 121 Ų | 121 | 131.2 Ų | 131.2 | 56% | 0.56 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.7 | 178.4 | -176.7 | -90.8 | 0 | 0 | 0 | 109.6 | G109 L113 Y114 | G109-H111 PolarHBondContact O-N 3.03Å; H111-L113 WeakPolarHBondContact ND1-CB 3.39Å; H111-L113 PolarHBondContact ND1-N 3.17Å; H111-L113 PolarHBondContact O-N 2.64Å; H111-Y114 WeakPolarHBondContact O-CA 3.4Å; H111-Y114 WeakPolarHBondContact O-CB 3.48Å; H111-Y114 PolarHBondContact O-N 3.08Å |
| 112 | P | 88 | Confident | 81.1 | Confident | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -25.4 | -178.5 | -27.4 | 34.8 | 0 | 0 | 0 | 114.7 | ||
| 113 | L | 85.3 | Confident | 80.9 | Confident | 139 Ų | 139 | 139.3 Ų | 139.3 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 8.6 | 175.5 | -53.9 | 177.7 | 0 | 0 | 0 | 113.8 | H111 Q115 | H111-L113 WeakPolarHBondContact ND1-CB 3.39Å; H111-L113 PolarHBondContact ND1-N 3.17Å; H111-L113 PolarHBondContact O-N 2.64Å; L113-Q115 PolarHBondContact O-N 3.15Å |
| 114 | Y | 82.3 | Confident | 80.8 | Confident | 129 Ų | 129 | 138.2 Ų | 138.2 | 51% | 0.506 | 71% | 0.707 | S | S | . | * | trans | -71.2 | 112.6 | 179.8 | 179.5 | -113.5 | 0 | 0 | 0 | 110 | E110 H111 R116 | E110-Y114 HydrophobicContact CB-CD1 3.91Å; E110-Y114 HydrophobicContact CB-CG 4.45Å; E110-Y114 VanDerWaalsContact CD-CD1 3.47Å; E110-Y114 HydrophobicContact CG-CD1 3.8Å; E110-Y114 HydrophobicContact CG-CE1 4.1Å; E110-Y114 WeakPolarHBondContact OE1-CE1 3.47Å; H111-Y114 WeakPolarHBondContact O-CA 3.4Å; H111-Y114 WeakPolarHBondContact O-CB 3.48Å; H111-Y114 PolarHBondContact O-N 3.08Å; Y114-R116 HydrophobicContact CD1-CG 4.17Å; Y114-R116 HydrophobicContact CE1-CG 3.4Å; Y114-R116 VanDerWaalsContact CE1-CG 3.4Å | ||
| 115 | Q | 79.1 | Confident | 81 | Confident | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -100.8 | 114 | 172.4 | -65.8 | 174.4 | 2.3 | 0 | 0 | 108.1 | L113 | L113-Q115 PolarHBondContact O-N 3.15Š| ||
| 116 | R | 75.7 | Confident | 81 | Confident | 179 Ų | 179 | 134.4 Ų | 134.4 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | -60.6 | 157.8 | 172.8 | -79.3 | -176.2 | 174.6 | 176.4 | -5 | 111 | E110 Y114 R118 | E110-R116 IonicContact OE1-CZ 3.2Å; E110-R116 IonicContact OE1-NE 2.97Å; E110-R116 PolarHBondContact OE1-NE 2.99Å; E110-R116 IonicContact OE1-NH2 2.7Å; E110-R116 PolarHBondContact OE1-NH2 3.44Å; E110-R116 IonicContact OE2-NE 3.86Å; Y114-R116 HydrophobicContact CD1-CG 4.17Å; Y114-R116 HydrophobicContact CE1-CG 3.4Å; Y114-R116 VanDerWaalsContact CE1-CG 3.4Å; R116-R118 PolarHBondContact O-N 3.45Å | ||
| 117 | Q | 74.9 | Confident | 81.1 | Confident | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 4 | 101.2 | -175.4 | -167.6 | 146.2 | -41.8 | 0 | 0 | 115.2 | S119 | Q117-S119 PolarHBondContact O-N 3.21Š|
| 118 | R | 67.3 | Low | 81.3 | Confident | 220 Ų | 220 | 130.4 Ų | 130.4 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -50.9 | 130 | 167.5 | -65.7 | -172.8 | -172.5 | 175.3 | 2.9 | 108.1 | R116 | R116-R118 PolarHBondContact O-N 3.45Š| ||
| 119 | S | 68.7 | Low | 81.5 | Confident | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | trans | -48.6 | 146.1 | 166.4 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | Q117 R121 | Q117-S119 PolarHBondContact O-N 3.21Å; S119-R121 PolarHBondContact O-N 3.05Å; S119-R121 VanDerWaalsContact O-N 3.09Å | ||
| 120 | A | 67.8 | Low | 81.9 | Confident | 78 Ų | 78 | 131.2 Ų | 131.2 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | trans | -39.5 | 123.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | W122 | A120-W122 CarbonylContact O-C 3.57Å; A120-W122 PolarHBondContact O-N 3.09Å | ||
| 121 | R | 68.9 | Low | 82.4 | Confident | 222 Ų | 222 | 132.9 Ų | 132.9 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -50 | -21.5 | -170.1 | -171.1 | 176.2 | 176.2 | -178 | -1.2 | 112.8 | S119 | S119-R121 PolarHBondContact O-N 3.05Å; S119-R121 VanDerWaalsContact O-N 3.09Å |
| 122 | W | 76.9 | Confident | 82.8 | Confident | 205 Ų | 205 | 135.7 Ų | 135.7 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -138.2 | 107.6 | 172.6 | -57.2 | 97.9 | 0 | 0 | 0 | 110 | A120 V124 | A120-W122 CarbonylContact O-C 3.57Å; A120-W122 PolarHBondContact O-N 3.09Å; W122-V124 PolarHBondContact O-N 2.69Å |
| 123 | P | 81.3 | Confident | 83 | Confident | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 127.9 | 172.7 | 27 | -32.3 | 0 | 0 | 0 | 109.7 | ||
| 124 | V | 86.3 | Confident | 83.6 | Confident | 97 Ų | 97 | 128.6 Ų | 128.6 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 127.1 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | W122 A128 R129 | W122-V124 PolarHBondContact O-N 2.69Å; V124-A128 HydrophobicContact CG1-CB 3.69Å; V124-R129 HydrophobicContact CB-CG 4.28Å; V124-R129 HydrophobicContact CG1-CG 3.82Å |
| 125 | S | 90.9 | Very high | 84.2 | Confident | 69 Ų | 69 | 129.4 Ų | 129.4 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 153.4 | -179.4 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | A127 A128 R129 | S125-A127 PolarHBondContact O-N 3.49Å; S125-A128 PolarHBondContact O-N 3.18Å; S125-A128 WeakPolarHBondContact OG-CB 3.44Å; S125-A128 PolarHBondContact OG-N 2.97Å; S125-R129 PolarHBondContact O-N 3.32Å; S125-R129 VanDerWaalsContact O-N 3.12Å |
| 126 | A | 90.8 | Very high | 85 | Confident | 51 Ų | 51 | 128.6 Ų | 128.6 | 42% | 0.421 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.7 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A128 R129 N130 | A126-A128 PolarHBondContact O-N 3.32Å; A126-R129 PolarHBondContact O-N 3.11Å; A126-N130 WeakPolarHBondContact O-CB 3.34Å; A126-N130 PolarHBondContact O-N 2.94Å; A126-N130 PolarHBondContact O-ND2 3.48Å |
| 127 | A | 91.9 | Very high | 85.9 | Confident | 76 Ų | 76 | 123.3 Ų | 123.3 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.4 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S125 N130 Y131 | S125-A127 PolarHBondContact O-N 3.49Å; A127-N130 PolarHBondContact O-N 2.93Å; A127-Y131 WeakPolarHBondContact O-CB 3.43Å; A127-Y131 PolarHBondContact O-N 3.29Å |
| 128 | A | 89.8 | Confident | 86.9 | Confident | 59 Ų | 59 | 118.5 Ų | 118.5 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.4 | -35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V124 S125 A126 N130 | V124-A128 HydrophobicContact CG1-CB 3.69Å; S125-A128 PolarHBondContact O-N 3.18Å; S125-A128 WeakPolarHBondContact OG-CB 3.44Å; S125-A128 PolarHBondContact OG-N 2.97Å; A126-A128 PolarHBondContact O-N 3.32Å; A128-N130 VanDerWaalsContact C-N 3.34Å |
| 129 | R | 89.2 | Confident | 88.1 | Confident | 176 Ų | 176 | 112.9 Ų | 112.9 | 66% | 0.664 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69 | -31.6 | 176.4 | -70.4 | -175.2 | -69.6 | 156.3 | 1.4 | 113.3 | V124 S125 A126 | V124-R129 HydrophobicContact CB-CG 4.28Å; V124-R129 HydrophobicContact CG1-CG 3.82Å; S125-R129 PolarHBondContact O-N 3.32Å; S125-R129 VanDerWaalsContact O-N 3.12Å; A126-R129 PolarHBondContact O-N 3.11Å |
| 130 | N | 94.4 | Very high | 89.3 | Confident | 116 Ų | 116 | 112.9 Ų | 112.9 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 11.9 | -177.4 | -60.6 | -25.1 | 0 | 0 | 0 | 112.7 | A126 A127 A128 F132 | A126-N130 WeakPolarHBondContact O-CB 3.34Å; A126-N130 PolarHBondContact O-N 2.94Å; A126-N130 PolarHBondContact O-ND2 3.48Å; A127-N130 PolarHBondContact O-N 2.93Å; A128-N130 VanDerWaalsContact C-N 3.34Å; N130-F132 WeakPolarHBondContact O-CD2 3.39Å |
| 131 | Y | 94.7 | Very high | 90.5 | Very high | 147 Ų | 147 | 113.2 Ų | 113.2 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -74 | 130.8 | -177.8 | 178.1 | -105.3 | 0 | 0 | 0 | 111 | A127 P133 | A127-Y131 WeakPolarHBondContact O-CB 3.43Å; A127-Y131 PolarHBondContact O-N 3.29Å; Y131-P133 HydrophobicContact CE1-CB 4.32Å |
| 132 | F | 94.1 | Very high | 91.6 | Very high | 179 Ų | 179 | 106.7 Ų | 106.7 | 79% | 0.785 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 123.6 | 171.6 | -69.4 | -86.5 | 0 | 0 | 0 | 109.6 | N130 | N130-F132 WeakPolarHBondContact O-CD2 3.39Š|
| 133 | P | 93.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 102.4 Ų | 102.4 | 38% | 0.383 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -67 | 142.1 | -179.2 | 28.4 | -34.5 | 0 | 0 | 0 | 111 | Y131 V137 L138 | Y131-P133 HydrophobicContact CE1-CB 4.32Å; P133-V137 HydrophobicContact CB-CB 4.13Å; P133-V137 HydrophobicContact CB-CG1 3.84Å; P133-L138 HydrophobicContact CB-CD2 4.25Å; P133-L138 HydrophobicContact CB-CG 4.3Å; P133-L138 HydrophobicContact CG-CD2 3.7Å; P133-L138 HydrophobicContact CG-CG 4.07Å |
| 134 | S | 96.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 106.7 Ų | 106.7 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 159.3 | 170.8 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | R136 V137 L138 | S134-R136 PolarHBondContact O-N 3.37Å; S134-V137 WeakPolarHBondContact O-CB 3.45Å; S134-V137 PolarHBondContact O-N 3.06Å; S134-V137 WeakPolarHBondContact OG-CG2 3.37Å; S134-V137 PolarHBondContact OG-N 3.46Å; S134-L138 PolarHBondContact O-N 3.37Å; S134-L138 VanDerWaalsContact O-N 3.08Å |
| 135 | Q | 95.5 | Very high | 92.2 | Very high | 146 Ų | 146 | 109.8 Ų | 109.8 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -53.1 | -42.8 | 176.4 | -176.6 | 178.8 | -16.2 | 0 | 0 | 112.3 | V137 L138 E139 | Q135-V137 VanDerWaalsContact C-N 3.32Å; Q135-V137 PolarHBondContact O-N 3Å; Q135-L138 WeakPolarHBondContact O-CB 3.45Å; Q135-L138 PolarHBondContact O-N 2.75Å; Q135-L138 VanDerWaalsContact O-N 3.17Å; Q135-E139 PolarHBondContact NE2-OE1 3.2Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 3.4Å |
| 136 | R | 95.6 | Very high | 91.7 | Very high | 148 Ų | 148 | 115.8 Ų | 115.8 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -56.9 | -42.9 | 175.3 | -176.5 | 85.7 | -174.8 | 100.2 | 3.3 | 112.4 | S134 L138 E139 L140 | S134-R136 PolarHBondContact O-N 3.37Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-E139 PolarHBondContact O-N 3.07Å; R136-L140 HydrophobicContact CG-CD1 4.26Å; R136-L140 WeakPolarHBondContact O-CB 3.47Å; R136-L140 VanDerWaalsContact O-CG 3.31Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.4Å |
| 137 | V | 95.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 121.9 Ų | 121.9 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 179.5 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | P133 S134 Q135 L140 S141 | P133-V137 HydrophobicContact CB-CB 4.13Å; P133-V137 HydrophobicContact CB-CG1 3.84Å; S134-V137 WeakPolarHBondContact O-CB 3.45Å; S134-V137 PolarHBondContact O-N 3.06Å; S134-V137 WeakPolarHBondContact OG-CG2 3.37Å; S134-V137 PolarHBondContact OG-N 3.46Å; Q135-V137 VanDerWaalsContact C-N 3.32Å; Q135-V137 PolarHBondContact O-N 3Å; V137-L140 PolarHBondContact O-N 3.33Å; V137-S141 WeakPolarHBondContact O-CB 3.1Å; V137-S141 PolarHBondContact O-N 3.21Å |
| 138 | L | 95.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 124.3 Ų | 124.3 | 47% | 0.471 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -46.8 | 174.4 | -67.5 | 173.5 | 0 | 0 | 0 | 111.3 | P133 S134 Q135 R136 L140 S141 C142 | P133-L138 HydrophobicContact CB-CD2 4.25Å; P133-L138 HydrophobicContact CB-CG 4.3Å; P133-L138 HydrophobicContact CG-CD2 3.7Å; P133-L138 HydrophobicContact CG-CG 4.07Å; S134-L138 PolarHBondContact O-N 3.37Å; S134-L138 VanDerWaalsContact O-N 3.08Å; Q135-L138 WeakPolarHBondContact O-CB 3.45Å; Q135-L138 PolarHBondContact O-N 2.75Å; Q135-L138 VanDerWaalsContact O-N 3.17Å; R136-L138 VanDerWaalsContact C-N 3.34Å; L138-L140 VanDerWaalsContact C-N 3.32Å; L138-L140 PolarHBondContact O-N 3.12Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 3.05Å; L138-S141 VanDerWaalsContact O-N 3.14Å; L138-S141 PolarHBondContact O-OG 3.3Å; L138-C142 PolarHBondContact O-N 3.48Å |
| 139 | E | 93.4 | Very high | 90 | Very high | 101 Ų | 101 | 127.7 Ų | 127.7 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59 | -42.4 | 176.3 | -71.3 | 168.2 | -172.6 | 0 | 0 | 112.5 | Q135 R136 S141 C142 | Q135-E139 PolarHBondContact NE2-OE1 3.2Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 3.4Å; R136-E139 PolarHBondContact O-N 3.07Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-C142 WeakPolarHBondContact O-CB 3.37Å; E139-C142 PolarHBondContact O-N 3.32Å |
| 140 | L | 92.9 | Very high | 89.1 | Confident | 111 Ų | 111 | 127 Ų | 127 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.4 | -24.6 | 178.1 | -71.5 | 176 | 0 | 0 | 0 | 113.3 | R136 V137 L138 C142 | R136-L140 HydrophobicContact CG-CD1 4.26Å; R136-L140 WeakPolarHBondContact O-CB 3.47Å; R136-L140 VanDerWaalsContact O-CG 3.31Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.4Å; V137-L140 PolarHBondContact O-N 3.33Å; L138-L140 VanDerWaalsContact C-N 3.32Å; L138-L140 PolarHBondContact O-N 3.12Å; L140-C142 PolarHBondContact O-N 3Å |
| 141 | S | 93.5 | Very high | 88.4 | Confident | 84 Ų | 84 | 127.1 Ų | 127.1 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.7 | -23.3 | 176.2 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | V137 L138 E139 | V137-S141 WeakPolarHBondContact O-CB 3.1Å; V137-S141 PolarHBondContact O-N 3.21Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 3.05Å; L138-S141 VanDerWaalsContact O-N 3.14Å; L138-S141 PolarHBondContact O-OG 3.3Å; E139-S141 VanDerWaalsContact C-N 3.32Å |
| 142 | C | 91.4 | Very high | 87.6 | Confident | 85 Ų | 85 | 124.1 Ų | 124.1 | 57% | 0.574 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -69.9 | 125.9 | 176 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | L138 E139 L140 R144 | L138-C142 PolarHBondContact O-N 3.48Å; E139-C142 WeakPolarHBondContact O-CB 3.37Å; E139-C142 PolarHBondContact O-N 3.32Å; L140-C142 PolarHBondContact O-N 3Å; C142-R144 PolarHBondContact O-N 3.09Å |
| 143 | P | 89.6 | Confident | 87 | Confident | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | trans | -64.7 | 137.6 | 178.2 | 27.2 | -33.9 | 0 | 0 | 0 | 110.4 | I145 | P143-I145 PolarHBondContact O-N 3.41Å; P143-I145 VanDerWaalsContact O-N 3.09Å | ||
| 144 | R | 85.4 | Confident | 86.6 | Confident | 207 Ų | 207 | 123.8 Ų | 123.8 | 78% | 0.781 | 63% | 0.63 | S | S | * | * | trans | -69.3 | 108.4 | 175.3 | -163.1 | 175.9 | 88.1 | -175.1 | 7.9 | 109.5 | C142 R146 | C142-R144 PolarHBondContact O-N 3.09Å; R144-R146 PolarHBondContact O-N 3.32Å | ||
| 145 | I | 83.1 | Confident | 85.9 | Confident | 161 Ų | 161 | 125.2 Ų | 125.2 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.8 | 174.1 | -56.2 | 173 | 0 | 0 | 0 | 107.9 | P143 | P143-I145 PolarHBondContact O-N 3.41Å; P143-I145 VanDerWaalsContact O-N 3.09Å |
| 146 | R | 80.6 | Confident | 85.5 | Confident | 196 Ų | 196 | 126.9 Ų | 126.9 | 74% | 0.74 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 129.8 | 171.8 | -61.7 | -175.1 | -179.5 | -164.1 | 0 | 107 | R144 | R144-R146 PolarHBondContact O-N 3.32Š|
| 147 | K | 81.1 | Confident | 85.3 | Confident | 179 Ų | 179 | 124.6 Ų | 124.6 | 78% | 0.778 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -68 | 139.8 | 167.2 | -62.6 | -173.8 | 179.1 | -174.4 | 0 | 108 | D151 | K147-D151 HydrophobicContact CB-CB 4.4Š|
| 148 | D | 80 | Confident | 84.9 | Confident | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148.6 | 175.3 | -75.2 | -25.3 | 0 | 0 | 0 | 109.7 | Y150 D151 | D148-Y150 PolarHBondContact O-N 3.24Å; D148-D151 HydrophobicContact CB-CB 4.31Å; D148-D151 WeakPolarHBondContact O-CB 3.44Å; D148-D151 PolarHBondContact O-N 2.74Å |
| 149 | V | 74.4 | Confident | 84.6 | Confident | 131 Ų | 131 | 124.4 Ų | 124.4 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -22.2 | -177.3 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 150 | Y | 70.1 | Confident | 84.6 | Confident | 162 Ų | 162 | 126.8 Ų | 126.8 | 64% | 0.635 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 13.8 | -177.7 | -57.6 | -73.8 | 0 | 0 | 0 | 113.4 | D148 G152 Y153 | D148-Y150 PolarHBondContact O-N 3.24Å; Y150-G152 PolarHBondContact O-N 2.85Å; Y150-Y153 AromaticContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CE1 4.42Å; Y150-Y153 HydrophobicContact CD1-CG 4.01Å; Y150-Y153 WeakPolarHBondContact O-CB 3.36Å; Y150-Y153 PolarHBondContact O-N 3.22Å |
| 151 | D | 79.2 | Confident | 84.5 | Confident | 118 Ų | 118 | 125 Ų | 125 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 107.6 | -179.4 | -146.6 | 9.9 | 0 | 0 | 0 | 109.1 | K147 D148 | K147-D151 HydrophobicContact CB-CB 4.4Å; D148-D151 HydrophobicContact CB-CB 4.31Å; D148-D151 WeakPolarHBondContact O-CB 3.44Å; D148-D151 PolarHBondContact O-N 2.74Å |
| 152 | G | 79.1 | Confident | 84.3 | Confident | 83 Ų | 83 | 123.8 Ų | 123.8 | 86% | 0.856 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.6 | 7.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y150 | Y150-G152 PolarHBondContact O-N 2.85Š|
| 153 | Y | 82.1 | Confident | 84.2 | Confident | 148 Ų | 148 | 125.6 Ų | 125.6 | 58% | 0.58 | 66% | 0.661 | S | S | * | * | trans | -81.4 | 118.2 | 175.6 | -179.7 | -104.6 | 0 | 0 | 0 | 111.5 | Y150 P155 | Y150-Y153 AromaticContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CE1 4.42Å; Y150-Y153 HydrophobicContact CD1-CG 4.01Å; Y150-Y153 WeakPolarHBondContact O-CB 3.36Å; Y150-Y153 PolarHBondContact O-N 3.22Å; Y153-P155 HydrophobicContact CD1-CB 4.47Å; Y153-P155 HydrophobicContact CE1-CB 3.93Å | ||
| 154 | N | 83 | Confident | 84.4 | Confident | 84 Ų | 84 | 123.9 Ų | 123.9 | 45% | 0.449 | 65% | 0.651 | S | S | . | * | trans | -94.9 | 112 | 170.5 | -178.8 | -10.4 | 0 | 0 | 0 | 109.7 | F156 V157 | N154-F156 PolarHBondContact O-N 3.33Å; N154-F156 VanDerWaalsContact O-N 3.12Å; N154-F156 PolarHBondContact OD1-N 3.2Å; N154-V157 HydrophobicContact CB-CG2 3.7Å; N154-V157 PolarHBondContact O-N 3.1Å | ||
| 155 | P | 82.8 | Confident | 84.8 | Confident | 87 Ų | 87 | 117.1 Ų | 117.1 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -12.2 | -175.9 | 28.8 | -35.7 | 0 | 0 | 0 | 114.1 | Y153 | Y153-P155 HydrophobicContact CD1-CB 4.47Å; Y153-P155 HydrophobicContact CE1-CB 3.93Å |
| 156 | F | 87.4 | Confident | 85.3 | Confident | 180 Ų | 180 | 116.8 Ų | 116.8 | 79% | 0.789 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -3.2 | -179.9 | -56.5 | -70.8 | 0 | 0 | 0 | 113.4 | N154 V158 | N154-F156 PolarHBondContact O-N 3.33Å; N154-F156 VanDerWaalsContact O-N 3.12Å; N154-F156 PolarHBondContact OD1-N 3.2Å; F156-V158 PolarHBondContact O-N 2.97Å |
| 157 | V | 90.4 | Very high | 85.9 | Confident | 101 Ų | 101 | 110.7 Ų | 110.7 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | trans | -80.2 | 111.2 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 109 | N154 | N154-V157 HydrophobicContact CB-CG2 3.7Å; N154-V157 PolarHBondContact O-N 3.1Å | ||
| 158 | V | 88.3 | Confident | 86.6 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | trans | -83.8 | 130.9 | 171.4 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | F156 A162 L163 | F156-V158 PolarHBondContact O-N 2.97Å; V158-A162 HydrophobicContact CG1-CB 3.8Å; V158-L163 HydrophobicContact CB-CD2 4.18Å; V158-L163 HydrophobicContact CB-CG 4.3Å; V158-L163 HydrophobicContact CG1-CD2 3.82Å; V158-L163 HydrophobicContact CG1-CG 3.87Å | ||
| 159 | S | 89.4 | Confident | 87.3 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | trans | -63.2 | 147.2 | 176.8 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | A161 A162 L163 | S159-A161 PolarHBondContact O-N 2.77Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-A162 WeakPolarHBondContact OG-CB 3.38Å; S159-A162 PolarHBondContact OG-N 2.7Å; S159-L163 PolarHBondContact O-N 3.14Å; S159-L163 VanDerWaalsContact O-N 3.14Å | ||
| 160 | H | 91.8 | Very high | 88.2 | Confident | 150 Ų | 150 | 104.4 Ų | 104.4 | 69% | 0.694 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.1 | -39.5 | 177.7 | -173.5 | 62.5 | 0 | 0 | 0 | 112.3 | A162 L163 C164 | H160-A162 VanDerWaalsContact C-N 3.3Å; H160-A162 PolarHBondContact O-N 2.97Å; H160-L163 PolarHBondContact O-N 2.77Å; H160-L163 VanDerWaalsContact O-N 3.13Å; H160-C164 VanDerWaalsContact CE1-SG 3.55Å; H160-C164 PolarHBondContact O-N 3.26Å; H160-C164 PolarHBondContact O-SG 2.92Å |
| 161 | A | 91.3 | Very high | 89.3 | Confident | 74 Ų | 74 | 100.2 Ų | 100.2 | 61% | 0.612 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.6 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S159 C164 A165 | S159-A161 PolarHBondContact O-N 2.77Å; A161-C164 PolarHBondContact O-N 2.99Å; A161-A165 WeakPolarHBondContact O-CB 3.36Å; A161-A165 PolarHBondContact O-N 3.28Å; A161-A165 VanDerWaalsContact O-N 3.1Å |
| 162 | A | 89.2 | Confident | 90.1 | Very high | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -32.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V158 S159 H160 | V158-A162 HydrophobicContact CG1-CB 3.8Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-A162 WeakPolarHBondContact OG-CB 3.38Å; S159-A162 PolarHBondContact OG-N 2.7Å; H160-A162 VanDerWaalsContact C-N 3.3Å; H160-A162 PolarHBondContact O-N 2.97Å |
| 163 | L | 90.8 | Very high | 90.7 | Very high | 124 Ų | 124 | 100.8 Ų | 100.8 | 65% | 0.649 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.1 | -32.6 | 174.4 | -67.3 | 174.1 | 0 | 0 | 0 | 112.6 | V158 S159 H160 | V158-L163 HydrophobicContact CB-CD2 4.18Å; V158-L163 HydrophobicContact CB-CG 4.3Å; V158-L163 HydrophobicContact CG1-CD2 3.82Å; V158-L163 HydrophobicContact CG1-CG 3.87Å; S159-L163 PolarHBondContact O-N 3.14Å; S159-L163 VanDerWaalsContact O-N 3.14Å; H160-L163 PolarHBondContact O-N 2.77Å; H160-L163 VanDerWaalsContact O-N 3.13Å |
| 164 | C | 92.9 | Very high | 91.2 | Very high | 80 Ų | 80 | 99.2 Ų | 99.2 | 54% | 0.541 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | 5.9 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | H160 A161 D166 | H160-C164 VanDerWaalsContact CE1-SG 3.55Å; H160-C164 PolarHBondContact O-N 3.26Å; H160-C164 PolarHBondContact O-SG 2.92Å; A161-C164 PolarHBondContact O-N 2.99Å; C164-D166 PolarHBondContact O-N 3.4Å |
| 165 | A | 94.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 122.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A161 | A161-A165 WeakPolarHBondContact O-CB 3.36Å; A161-A165 PolarHBondContact O-N 3.28Å; A161-A165 VanDerWaalsContact O-N 3.1Å |
| 166 | D | 93.4 | Very high | 92 | Very high | 153 Ų | 153 | 99.7 Ų | 99.7 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 135 | 173.4 | -71 | -40 | 0 | 0 | 0 | 111.3 | C164 | C164-D166 PolarHBondContact O-N 3.4Š|
| 167 | P | 92.6 | Very high | 92 | Very high | 69 Ų | 69 | 95 Ų | 95 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 145.9 | 178.9 | 29 | -35.2 | 0 | 0 | 0 | 111.7 | T171 L172 | P167-T171 HydrophobicContact CB-CG2 4.33Å; P167-L172 HydrophobicContact CB-CD2 4.29Å; P167-L172 HydrophobicContact CB-CG 4.28Å; P167-L172 HydrophobicContact CG-CD1 4.37Å; P167-L172 HydrophobicContact CG-CD2 3.6Å; P167-L172 HydrophobicContact CG-CG 3.91Å |
| 168 | S | 95.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 94.6 Ų | 94.6 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 154.7 | 175.2 | 83.8 | 0 | 0 | 0 | 0 | 112 | R170 T171 L172 | S168-R170 PolarHBondContact O-N 3.36Å; S168-R170 VanDerWaalsContact O-N 3.15Å; S168-T171 WeakPolarHBondContact O-CA 3.38Å; S168-T171 WeakPolarHBondContact O-CB 3.42Å; S168-T171 PolarHBondContact O-N 3.23Å; S168-T171 PolarHBondContact OG-N 3.39Å; S168-T171 PolarHBondContact OG-OG1 2.93Å; S168-L172 PolarHBondContact O-N 3.46Å |
| 169 | P | 94.8 | Very high | 91.5 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -54.5 | -36.5 | 176.4 | -26.7 | 34.4 | 0 | 0 | 0 | 113.4 | L172 Q173 | P169-L172 PolarHBondContact O-N 3.44Å; P169-Q173 WeakPolarHBondContact O-CG 3.34Å; P169-Q173 PolarHBondContact O-N 3.12Å |
| 170 | R | 93.9 | Very high | 91.2 | Very high | 149 Ų | 149 | 102.8 Ų | 102.8 | 56% | 0.562 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | 176.7 | -174.1 | 73.9 | -173.8 | 119.5 | 2.5 | 111.7 | S168 L172 Q173 L174 | S168-R170 PolarHBondContact O-N 3.36Å; S168-R170 VanDerWaalsContact O-N 3.15Å; R170-L172 VanDerWaalsContact C-N 3.35Å; R170-Q173 PolarHBondContact O-N 3.44Å; R170-L174 HydrophobicContact CG-CD1 4.33Å; R170-L174 WeakPolarHBondContact O-CG 3.43Å; R170-L174 PolarHBondContact O-N 2.73Å |
| 171 | T | 94.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.1 | -42.9 | 177.8 | -48 | 0 | 0 | 0 | 0 | 110.6 | P167 S168 L174 S175 | P167-T171 HydrophobicContact CB-CG2 4.33Å; S168-T171 WeakPolarHBondContact O-CA 3.38Å; S168-T171 WeakPolarHBondContact O-CB 3.42Å; S168-T171 PolarHBondContact O-N 3.23Å; S168-T171 PolarHBondContact OG-N 3.39Å; S168-T171 PolarHBondContact OG-OG1 2.93Å; T171-L174 PolarHBondContact O-N 3.42Å; T171-S175 PolarHBondContact O-N 3.46Å |
| 172 | L | 94.2 | Very high | 90 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.6 | -47.2 | 174.6 | -70.8 | 173.1 | 0 | 0 | 0 | 111.3 | P167 S168 P169 R170 L174 S175 V176 | P167-L172 HydrophobicContact CB-CD2 4.29Å; P167-L172 HydrophobicContact CB-CG 4.28Å; P167-L172 HydrophobicContact CG-CD1 4.37Å; P167-L172 HydrophobicContact CG-CD2 3.6Å; P167-L172 HydrophobicContact CG-CG 3.91Å; S168-L172 PolarHBondContact O-N 3.46Å; P169-L172 PolarHBondContact O-N 3.44Å; R170-L172 VanDerWaalsContact C-N 3.35Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 2.85Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 2.83Å; L172-V176 PolarHBondContact O-N 2.96Å |
| 173 | Q | 92.6 | Very high | 89.4 | Confident | 119 Ų | 119 | 105.5 Ų | 105.5 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.4 | -41.3 | 175.9 | -72 | 172.6 | -0.1 | 0 | 0 | 112.9 | P169 R170 V176 | P169-Q173 WeakPolarHBondContact O-CG 3.34Å; P169-Q173 PolarHBondContact O-N 3.12Å; R170-Q173 PolarHBondContact O-N 3.44Å; Q173-V176 PolarHBondContact O-N 3.41Å |
| 174 | L | 92.2 | Very high | 88.4 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.7 | -26.9 | -179.8 | -70.9 | 175.1 | 0 | 0 | 0 | 113.2 | R170 T171 L172 V176 | R170-L174 HydrophobicContact CG-CD1 4.33Å; R170-L174 WeakPolarHBondContact O-CG 3.43Å; R170-L174 PolarHBondContact O-N 2.73Å; T171-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 2.85Å; L174-V176 PolarHBondContact O-N 3.07Å |
| 175 | S | 91.6 | Very high | 87.1 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -17.8 | 174.7 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | T171 L172 | T171-S175 PolarHBondContact O-N 3.46Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 2.83Å |
| 176 | V | 90.3 | Very high | 85.5 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -68.6 | 126.3 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | L172 Q173 L174 | L172-V176 PolarHBondContact O-N 2.96Å; Q173-V176 PolarHBondContact O-N 3.41Å; L174-V176 PolarHBondContact O-N 3.07Å |
| 177 | P | 87.8 | Confident | 83.7 | Confident | 82 Ų | 82 | 109.9 Ų | 109.9 | 53% | 0.532 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -61 | 142 | 178.1 | 25 | -33.6 | 0 | 0 | 0 | 110.5 | ||
| 178 | L | 86.9 | Confident | 82.2 | Confident | 92 Ų | 92 | 111.7 Ų | 111.7 | 48% | 0.482 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -59 | 137 | 176.8 | -67.9 | 172.4 | 0 | 0 | 0 | 109.7 | R180 K181 C182 | L178-R180 HydrophobicContact CB-CG 4.15Å; L178-R180 PolarHBondContact O-N 2.9Å; L178-K181 HydrophobicContact CB-CG 4.42Å; L178-K181 WeakPolarHBondContact O-CA 3.34Å; L178-K181 WeakPolarHBondContact O-CB 3.28Å; L178-K181 PolarHBondContact O-N 3.49Å; L178-C182 PolarHBondContact O-N 2.86Å |
| 179 | P | 81 | Confident | 80.5 | Confident | 113 Ų | 113 | 118.1 Ų | 118.1 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -52.6 | -38.3 | -176.7 | -28.3 | 33.5 | 0 | 0 | 0 | 113.6 | K181 C182 | P179-K181 PolarHBondContact O-N 3.42Å; P179-C182 PolarHBondContact O-N 3.47Å |
| 180 | R | 83.3 | Confident | 78.4 | Confident | 212 Ų | 212 | 121.8 Ų | 121.8 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -65.5 | -14.6 | 176.4 | 66.5 | 178.1 | 179.1 | 142.7 | -3.5 | 115.4 | L178 | L178-R180 HydrophobicContact CB-CG 4.15Å; L178-R180 PolarHBondContact O-N 2.9Å |
| 181 | K | 80.6 | Confident | 76 | Confident | 152 Ų | 152 | 127.2 Ų | 127.2 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -105.2 | -4.2 | 178.5 | -64.2 | -159.9 | 175.3 | -165.4 | 0 | 112.5 | L178 P179 T183 | L178-K181 HydrophobicContact CB-CG 4.42Å; L178-K181 WeakPolarHBondContact O-CA 3.34Å; L178-K181 WeakPolarHBondContact O-CB 3.28Å; L178-K181 PolarHBondContact O-N 3.49Å; P179-K181 PolarHBondContact O-N 3.42Å; K181-T183 PolarHBondContact O-N 3.36Å |
| 182 | C | 78.3 | Confident | 75.1 | Confident | 67 Ų | 67 | 129.9 Ų | 129.9 | 45% | 0.453 | 70% | 0.695 | S | S | . | * | trans | -81 | 108.9 | 172.1 | -60.1 | 0 | 0 | 0 | 0 | 108 | L178 P179 | L178-C182 PolarHBondContact O-N 2.86Å; P179-C182 PolarHBondContact O-N 3.47Å | ||
| 183 | T | 75.5 | Confident | 74.1 | Confident | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | -78.1 | 133.6 | 165 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | K181 K185 | K181-T183 PolarHBondContact O-N 3.36Å; T183-K185 PolarHBondContact O-N 2.99Å; T183-K185 VanDerWaalsContact O-N 3.13Å | ||
| 184 | P | 71 | Confident | 73 | Confident | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -62.6 | 119.8 | 174.3 | 24 | -30.1 | 0 | 0 | 0 | 108.5 | A186 | P184-A186 PolarHBondContact O-N 3.11Š| ||
| 185 | K | 65.9 | Low | 71.9 | Confident | 199 Ų | 199 | 133.5 Ų | 133.5 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | trans | -68.3 | 113 | 165.3 | -77.9 | -177.1 | 176.6 | 179.5 | 0 | 106.8 | T183 S187 | T183-K185 PolarHBondContact O-N 2.99Å; T183-K185 VanDerWaalsContact O-N 3.13Å; K185-S187 PolarHBondContact O-N 3.26Å; K185-S187 VanDerWaalsContact O-N 3.09Å | ||
| 186 | A | 59.9 | Low | 70.7 | Confident | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -61.7 | 110.3 | 165 | 0 | 0 | 0 | 0 | 0 | 107.5 | P184 P188 | P184-A186 PolarHBondContact O-N 3.11Å; A186-P188 WeakPolarHBondContact O-CD 3.48Å | ||
| 187 | S | 55.5 | Low | 69.4 | Low | 90 Ų | 90 | 139.3 Ų | 139.3 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -77.9 | 120.8 | 170.3 | -176 | 0 | 0 | 0 | 0 | 108 | K185 Y189 | K185-S187 PolarHBondContact O-N 3.26Å; K185-S187 VanDerWaalsContact O-N 3.09Å; S187-Y189 VanDerWaalsContact C-N 3.25Å; S187-Y189 PolarHBondContact O-N 3.16Å | ||
| 188 | P | 61.8 | Low | 68.1 | Low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -82 | 8.7 | -176.1 | 25.4 | -21.8 | 0 | 0 | 0 | 114.6 | A186 | A186-P188 WeakPolarHBondContact O-CD 3.48Š|
| 189 | Y | 59.4 | Low | 66.6 | Low | 192 Ų | 192 | 147.3 Ų | 147.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -127.8 | 81.4 | -176 | -58 | -73.6 | 0 | 0 | 0 | 111.9 | S187 | S187-Y189 VanDerWaalsContact C-N 3.25Å; S187-Y189 PolarHBondContact O-N 3.16Å | ||
| 190 | H | 51.2 | Low | 65.4 | Low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -148.7 | 91.1 | 152.9 | -88.6 | -58.3 | 0 | 0 | 0 | 108 | ||||
| 191 | M | 42.8 | Very low | 63.8 | Low | 264 Ų | 264 | 144.5 Ų | 144.5 | 100% | 1.3 | 78% | 0.776 | S | S | * | * | trans | -137.7 | 0 | 155.6 | -76.6 | -69.9 | 143 | 0 | 0 | 106.4 |
Retrieved 191 of 191 residues in 124.4 ms
(Link to these results)