| 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 | 43.5 | Very low | 52.2 | Low | 242 Ų | 242 | 167.5 Ų | 167.5 | 100% | 1.192 | 88% | 0.879 | S | S | * | * | 0 | 114.6 | 0 | -77.4 | 175 | 158.2 | 0 | 0 | 105.9 | |||||
| 2 | A | 43.3 | Very low | 53.1 | Low | 113 Ų | 113 | 169.6 Ų | 169.6 | 93% | 0.934 | 88% | 0.876 | S | S | * | * | trans | -75.1 | 132 | -154.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3 | S | 50.6 | Low | 53.2 | Low | 95 Ų | 95 | 166.2 Ų | 166.2 | 66% | 0.664 | 87% | 0.871 | S | S | * | * | trans | -83 | 145.4 | -174.7 | -48.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 4 | E | 52 | Low | 53.5 | Low | 184 Ų | 184 | 160.7 Ų | 160.7 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | trans | 35.5 | 93.5 | 132.8 | -57.4 | 174.6 | 134.2 | 0 | 0 | 118.1 | ||||
| 5 | E | 54.2 | Low | 53.6 | Low | 185 Ų | 185 | 156.7 Ų | 156.7 | 86% | 0.864 | 85% | 0.852 | S | S | * | * | trans | -170 | 104.2 | 156.9 | -113.6 | 178.8 | 171.9 | 0 | 0 | 109.9 | ||||
| 6 | L | 53 | Low | 53.9 | Low | 171 Ų | 171 | 160.8 Ų | 160.8 | 90% | 0.895 | 85% | 0.851 | S | S | * | * | trans | 178.3 | 17.8 | 152.8 | -102.4 | 148.5 | 0 | 0 | 0 | 116.8 | ||||
| 7 | N | 54.5 | Low | 54.4 | Low | 165 Ų | 165 | 165.4 Ų | 165.4 | 88% | 0.882 | 85% | 0.854 | S | S | * | * | trans | -102.1 | 26.9 | -179.5 | -83.4 | -21.7 | 0 | 0 | 0 | 115.8 | ||||
| 8 | N | 56 | Low | 55.3 | Low | 155 Ų | 155 | 162.3 Ų | 162.3 | 83% | 0.829 | 85% | 0.849 | S | S | * | * | trans | -113.2 | 50.8 | 175.1 | -76.5 | -21.8 | 0 | 0 | 0 | 112.6 | V10 | N8-V10 PolarHBondContact O-N 3.43Š| ||
| 9 | L | 51.9 | Low | 56.4 | Low | 170 Ų | 170 | 163.9 Ų | 163.9 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | trans | -74.5 | 83.9 | 169.8 | -158.8 | 71.5 | 0 | 0 | 0 | 109.5 | R11 | L9-R11 PolarHBondContact O-N 3.25Š| ||
| 10 | V | 56.5 | Low | 57.3 | Low | 127 Ų | 127 | 159.6 Ų | 159.6 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | trans | -53.2 | 103.7 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | N8 K12 | N8-V10 PolarHBondContact O-N 3.43Å; V10-K12 PolarHBondContact O-N 2.95Å; V10-K12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | R | 58.1 | Low | 58.3 | Low | 235 Ų | 235 | 157.4 Ų | 157.4 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -60.2 | 114.1 | 172.5 | -89.8 | -177.1 | -176.7 | 149.8 | 1.8 | 108.4 | L9 | L9-R11 PolarHBondContact O-N 3.25Š| ||
| 12 | K | 63.3 | Low | 60 | Low | 193 Ų | 193 | 152.2 Ų | 152.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126.6 | 167.3 | -72.7 | 176.5 | 177.2 | 175.4 | 0 | 108.7 | V10 S14 | V10-K12 PolarHBondContact O-N 2.95Å; V10-K12 VanDerWaalsContact O-N 3.1Å; K12-S14 PolarHBondContact O-N 2.93Å |
| 13 | P | 54 | Low | 61.7 | Low | 125 Ų | 125 | 149.5 Ų | 149.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.8 | 173.4 | 23.4 | -29.4 | 0 | 0 | 0 | 108.7 | A15 | P13-A15 PolarHBondContact O-N 3.27Š|
| 14 | S | 57.4 | Low | 62.8 | Low | 90 Ų | 90 | 146.9 Ų | 146.9 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 124.5 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | K12 R16 | K12-S14 PolarHBondContact O-N 2.93Å; S14-R16 PolarHBondContact O-N 2.93Å; S14-R16 WeakPolarHBondContact OG-CG 3.27Å |
| 15 | A | 56.1 | Low | 63.9 | Low | 101 Ų | 101 | 141.5 Ų | 141.5 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -70.7 | 28.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P13 R17 | P13-A15 PolarHBondContact O-N 3.27Å; A15-R17 VanDerWaalsContact C-N 3.34Å; A15-R17 PolarHBondContact O-N 2.89Å | ||
| 16 | R | 58.6 | Low | 64.9 | Low | 222 Ų | 222 | 136.1 Ų | 136.1 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -71 | 97.1 | 172.1 | -77.8 | -179.9 | 172.6 | -153.4 | -2.4 | 107 | S14 S18 | S14-R16 PolarHBondContact O-N 2.93Å; S14-R16 WeakPolarHBondContact OG-CG 3.27Å; R16-S18 PolarHBondContact O-N 3.25Å; R16-S18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | R | 62.5 | Low | 65.8 | Low | 238 Ų | 238 | 132.5 Ų | 132.5 | 90% | 0.898 | 70% | 0.695 | S | S | * | * | trans | -34.7 | 120.3 | 164.7 | -72.8 | 178.8 | 160.1 | -135.4 | -3.4 | 108 | A15 K19 | A15-R17 VanDerWaalsContact C-N 3.34Å; A15-R17 PolarHBondContact O-N 2.89Å; R17-K19 PolarHBondContact O-N 2.93Å | ||
| 18 | S | 69.9 | Low | 66.4 | Low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 140.7 | 173.9 | 46.3 | 0 | 0 | 0 | 0 | 108.8 | R16 | R16-S18 PolarHBondContact O-N 3.25Å; R16-S18 VanDerWaalsContact O-N 3.12Å |
| 19 | K | 75.3 | Confident | 66.7 | Low | 194 Ų | 194 | 129 Ų | 129 | 84% | 0.843 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 136.5 | 173 | -73.4 | 177.8 | 176.9 | 177 | 0 | 108.3 | R17 D21 | R17-K19 PolarHBondContact O-N 2.93Å; K19-D21 PolarHBondContact O-N 3.47Å |
| 20 | P | 75.8 | Confident | 67 | Low | 76 Ų | 76 | 129.4 Ų | 129.4 | 49% | 0.494 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 135.1 | 174.8 | 24.2 | -32.2 | 0 | 0 | 0 | 108.8 | A24 L25 | P20-A24 HydrophobicContact CB-CB 4.21Å; P20-L25 HydrophobicContact CB-CD2 4.19Å; P20-L25 HydrophobicContact CB-CG 4.29Å; P20-L25 HydrophobicContact CG-CD2 3.83Å; P20-L25 HydrophobicContact CG-CG 4.22Å |
| 21 | D | 78.3 | Confident | 67 | Low | 115 Ų | 115 | 129.6 Ų | 129.6 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 155.7 | 173.4 | -173.4 | 19 | 0 | 0 | 0 | 110 | K19 A23 A24 L25 | K19-D21 PolarHBondContact O-N 3.47Å; D21-A23 PolarHBondContact O-N 3.43Å; D21-A24 WeakPolarHBondContact O-CA 3.49Å; D21-A24 WeakPolarHBondContact O-CB 3.45Å; D21-A24 PolarHBondContact O-N 3.06Å; D21-L25 PolarHBondContact O-N 2.87Å; D21-L25 VanDerWaalsContact O-N 3.12Å |
| 22 | M | 78.8 | Confident | 66.8 | Low | 132 Ų | 132 | 126.1 Ų | 126.1 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -55.5 | -35.8 | 178.8 | -80.8 | -62.6 | -59.6 | 0 | 0 | 111.7 | A24 L25 V26 | M22-A24 PolarHBondContact O-N 3.1Å; M22-L25 PolarHBondContact O-N 3.25Å; M22-L25 HydrophobicContact SD-CD1 4.23Å; M22-V26 WeakPolarHBondContact O-CG2 3.39Å; M22-V26 PolarHBondContact O-N 3.12Å; M22-V26 VanDerWaalsContact O-N 3.07Å |
| 23 | A | 78.7 | Confident | 66.1 | Low | 56 Ų | 56 | 124.3 Ų | 124.3 | 46% | 0.463 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -60.6 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D21 L25 V26 D27 | D21-A23 PolarHBondContact O-N 3.43Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.1Å; A23-V26 PolarHBondContact O-N 2.84Å; A23-D27 PolarHBondContact O-N 3.45Å |
| 24 | A | 73.9 | Confident | 65.8 | Low | 41 Ų | 41 | 121.4 Ų | 121.4 | 34% | 0.339 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.8 | -32.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | P20 D21 M22 Q28 | P20-A24 HydrophobicContact CB-CB 4.21Å; D21-A24 WeakPolarHBondContact O-CA 3.49Å; D21-A24 WeakPolarHBondContact O-CB 3.45Å; D21-A24 PolarHBondContact O-N 3.06Å; M22-A24 PolarHBondContact O-N 3.1Å; A24-Q28 WeakPolarHBondContact O-CG 3.47Å; A24-Q28 PolarHBondContact O-N 3.33Å |
| 25 | L | 74.5 | Confident | 65.3 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 37% | 0.372 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.8 | -42.1 | 174.2 | -68.2 | 174.9 | 0 | 0 | 0 | 112 | P20 D21 M22 A23 D27 Q28 Q29 | P20-L25 HydrophobicContact CB-CD2 4.19Å; P20-L25 HydrophobicContact CB-CG 4.29Å; P20-L25 HydrophobicContact CG-CD2 3.83Å; P20-L25 HydrophobicContact CG-CG 4.22Å; D21-L25 PolarHBondContact O-N 2.87Å; D21-L25 VanDerWaalsContact O-N 3.12Å; M22-L25 PolarHBondContact O-N 3.25Å; M22-L25 HydrophobicContact SD-CD1 4.23Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.1Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-Q28 PolarHBondContact O-N 2.89Å; L25-Q29 PolarHBondContact O-N 3.46Å; L25-Q29 VanDerWaalsContact O-N 3.16Å |
| 26 | V | 76.1 | Confident | 64.7 | Low | 71 Ų | 71 | 127.6 Ų | 127.6 | 43% | 0.43 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.6 | -40.3 | 176 | 173.2 | 0 | 0 | 0 | 0 | 111 | M22 A23 Q29 R30 | M22-V26 WeakPolarHBondContact O-CG2 3.39Å; M22-V26 PolarHBondContact O-N 3.12Å; M22-V26 VanDerWaalsContact O-N 3.07Å; A23-V26 PolarHBondContact O-N 2.84Å; V26-Q29 PolarHBondContact O-N 3.12Å; V26-R30 PolarHBondContact O-N 3.19Å |
| 27 | D | 70.5 | Confident | 63.9 | Low | 96 Ų | 96 | 122 Ų | 122 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.1 | -36.1 | 176.8 | -80.4 | -12.3 | 0 | 0 | 0 | 112.6 | A23 L25 Q29 R30 L31 | A23-D27 PolarHBondContact O-N 3.45Å; L25-D27 VanDerWaalsContact C-N 3.35Å; D27-Q29 VanDerWaalsContact C-N 3.31Å; D27-Q29 PolarHBondContact O-N 2.9Å; D27-R30 PolarHBondContact O-N 3.34Å; D27-L31 PolarHBondContact O-N 3.43Å |
| 28 | Q | 67.5 | Low | 63 | Low | 114 Ų | 114 | 122.1 Ų | 122.1 | 53% | 0.533 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.8 | -39.1 | 171.8 | -79.8 | -175.9 | -10.2 | 0 | 0 | 111.8 | A24 L25 L31 F32 | A24-Q28 WeakPolarHBondContact O-CG 3.47Å; A24-Q28 PolarHBondContact O-N 3.33Å; L25-Q28 PolarHBondContact O-N 2.89Å; Q28-L31 PolarHBondContact O-N 3.32Å; Q28-F32 WeakPolarHBondContact O-CD2 3.36Å |
| 29 | Q | 62.1 | Low | 62.1 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.9 | -34.9 | 174.1 | -80.4 | 179.7 | -26.8 | 0 | 0 | 112.8 | L25 V26 D27 L31 F32 Q33 | L25-Q29 PolarHBondContact O-N 3.46Å; L25-Q29 VanDerWaalsContact O-N 3.16Å; V26-Q29 PolarHBondContact O-N 3.12Å; D27-Q29 VanDerWaalsContact C-N 3.31Å; D27-Q29 PolarHBondContact O-N 2.9Å; Q29-L31 VanDerWaalsContact C-N 3.32Å; Q29-L31 PolarHBondContact O-N 3.07Å; Q29-F32 PolarHBondContact O-N 2.96Å; Q29-Q33 PolarHBondContact O-N 2.97Å |
| 30 | R | 59.4 | Low | 60.5 | Low | 179 Ų | 179 | 120.9 Ų | 120.9 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.1 | -36.1 | 173.3 | -89.4 | -173.4 | -174.4 | -142.2 | 0.2 | 112.9 | V26 D27 F32 Q33 S34 | V26-R30 PolarHBondContact O-N 3.19Å; D27-R30 PolarHBondContact O-N 3.34Å; R30-F32 PolarHBondContact O-N 3.5Å; R30-Q33 CarbonylContact O-C 3.58Å; R30-Q33 PolarHBondContact O-N 3.26Å; R30-S34 PolarHBondContact O-N 3.16Å |
| 31 | L | 55.4 | Low | 59.1 | Low | 130 Ų | 130 | 123.9 Ų | 123.9 | 68% | 0.681 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.8 | -28.3 | 176.7 | -78.3 | 161 | 0 | 0 | 0 | 112.7 | D27 Q28 Q29 S34 | D27-L31 PolarHBondContact O-N 3.43Å; Q28-L31 PolarHBondContact O-N 3.32Å; Q29-L31 VanDerWaalsContact C-N 3.32Å; Q29-L31 PolarHBondContact O-N 3.07Å; L31-S34 WeakPolarHBondContact O-CB 3.36Å |
| 32 | F | 54.2 | Low | 57.4 | Low | 162 Ų | 162 | 126.2 Ų | 126.2 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82 | -16.6 | 171.3 | -70.6 | -73.3 | 0 | 0 | 0 | 113.9 | Q28 Q29 R30 S34 | Q28-F32 WeakPolarHBondContact O-CD2 3.36Å; Q29-F32 PolarHBondContact O-N 2.96Å; R30-F32 PolarHBondContact O-N 3.5Å; F32-S34 VanDerWaalsContact C-N 3.3Å |
| 33 | Q | 49.7 | Very low | 55.7 | Low | 155 Ų | 155 | 128 Ų | 128 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -0.2 | 171.1 | -68.6 | -177.4 | 9.7 | 0 | 0 | 113.3 | Q29 R30 | Q29-Q33 PolarHBondContact O-N 2.97Å; R30-Q33 CarbonylContact O-C 3.58Å; R30-Q33 PolarHBondContact O-N 3.26Å |
| 34 | S | 46.6 | Very low | 54.2 | Low | 65 Ų | 65 | 130.3 Ų | 130.3 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -52.5 | 125.5 | 159.5 | 170 | 0 | 0 | 0 | 0 | 107.7 | R30 L31 F32 W36 | R30-S34 PolarHBondContact O-N 3.16Å; L31-S34 WeakPolarHBondContact O-CB 3.36Å; F32-S34 VanDerWaalsContact C-N 3.3Å; S34-W36 PolarHBondContact O-N 3.15Å |
| 35 | P | 47.4 | Very low | 52.8 | Low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | trans | -63.4 | 97.6 | 172.3 | 27.2 | -29.3 | 0 | 0 | 0 | 105.2 | S37 | P35-S37 PolarHBondContact O-N 3.13Š| ||
| 36 | W | 44.5 | Very low | 51.6 | Low | 204 Ų | 204 | 137.9 Ų | 137.9 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | trans | -49.7 | 107.1 | 155.7 | -79.2 | 44.8 | 0 | 0 | 0 | 103.1 | S34 R38 | S34-W36 PolarHBondContact O-N 3.15Å; W36-R38 VanDerWaalsContact C-N 3.28Å; W36-R38 PolarHBondContact O-N 3.29Å | ||
| 37 | S | 40.6 | Very low | 50.5 | Low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -36.5 | 100 | -179 | 169.9 | 0 | 0 | 0 | 0 | 106.9 | P35 K39 | P35-S37 PolarHBondContact O-N 3.13Å; S37-K39 PolarHBondContact O-N 2.94Å | ||
| 38 | R | 43 | Very low | 49.7 | Very low | 239 Ų | 239 | 141 Ų | 141 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -66 | 88.9 | 170.1 | -82.7 | -171 | -164.4 | 170.8 | 4.6 | 102 | W36 P40 | W36-R38 VanDerWaalsContact C-N 3.28Å; W36-R38 PolarHBondContact O-N 3.29Å; R38-P40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | K | 52 | Low | 49.1 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | -44.7 | 124.1 | 155.2 | -70 | 180 | 178.2 | 178.5 | 0 | 104.1 | S37 L41 | S37-K39 PolarHBondContact O-N 2.94Å; K39-L41 PolarHBondContact O-N 3.36Å | ||
| 40 | P | 41.8 | Very low | 48.9 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | trans | -56.1 | 112.6 | -174.1 | 21 | -30.2 | 0 | 0 | 0 | 107.2 | R38 F42 | R38-P40 VanDerWaalsContact O-N 3.12Å; P40-F42 HydrophobicContact CB-CB 4.42Å; P40-F42 HydrophobicContact CB-CD2 4.4Å; P40-F42 PolarHBondContact O-N 3.16Å | ||
| 41 | L | 46 | Very low | 48.7 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -71.5 | 29.7 | 166.2 | -96.2 | 165.6 | 0 | 0 | 0 | 110.3 | K39 L44 | K39-L41 PolarHBondContact O-N 3.36Å; L41-L44 HydrophobicContact CD2-CD1 4.03Å |
| 42 | F | 43.6 | Very low | 48.8 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | trans | -122.7 | 63.4 | -177.9 | -60 | -72.4 | 0 | 0 | 0 | 108.1 | P40 | P40-F42 HydrophobicContact CB-CB 4.42Å; P40-F42 HydrophobicContact CB-CD2 4.4Å; P40-F42 PolarHBondContact O-N 3.16Å | ||
| 43 | Q | 41.8 | Very low | 48.9 | Very low | 171 Ų | 171 | 134 Ų | 134 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -142 | 21.5 | 151.5 | -114 | 178 | 2.6 | 0 | 0 | 110.6 | E45 | Q43-E45 VanDerWaalsContact C-N 3.35Š| ||
| 44 | L | 46.7 | Very low | 49.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 54% | 0.539 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -85 | -8.2 | 173.2 | -80.1 | 160.4 | 0 | 0 | 0 | 112.8 | L41 S46 L47 | L41-L44 HydrophobicContact CD2-CD1 4.03Å; L44-S46 PolarHBondContact O-N 2.98Å; L44-S46 VanDerWaalsContact O-N 3.12Å; L44-L47 HydrophobicContact CD2-CD1 4.4Å; L44-L47 PolarHBondContact O-N 3.22Å |
| 45 | E | 45.1 | Very low | 49.6 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -64.8 | -10.4 | 169.7 | -70.4 | 168.7 | 129.8 | 0 | 0 | 112.6 | Q43 | Q43-E45 VanDerWaalsContact C-N 3.35Š|
| 46 | S | 50.5 | Low | 49.7 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -86 | -8 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 114.3 | L44 | L44-S46 PolarHBondContact O-N 2.98Å; L44-S46 VanDerWaalsContact O-N 3.12Å |
| 47 | L | 52.6 | Low | 49.5 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 71% | 0.707 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -123 | 6.2 | -171.9 | -71.5 | 170.6 | 0 | 0 | 0 | 114 | L44 P49 | L44-L47 HydrophobicContact CD2-CD1 4.4Å; L44-L47 PolarHBondContact O-N 3.22Å; L47-P49 WeakPolarHBondContact O-CD 3.39Å |
| 48 | V | 52.2 | Low | 49.7 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 60% | 0.6 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -89.7 | 114.2 | 169.5 | -176 | 0 | 0 | 0 | 0 | 107.8 | V50 | V48-V50 PolarHBondContact O-N 3.45Š|
| 49 | P | 56.4 | Low | 49.7 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | trans | -63.5 | 103 | 168.7 | 24.7 | -29.9 | 0 | 0 | 0 | 108.3 | L47 V51 | L47-P49 WeakPolarHBondContact O-CD 3.39Å; P49-V51 PolarHBondContact O-N 3.21Å; P49-V51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | V | 57.1 | Low | 49.6 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | -71.6 | 100.4 | 168.3 | 179 | 0 | 0 | 0 | 0 | 106.6 | V48 S52 | V48-V50 PolarHBondContact O-N 3.45Å; V50-S52 PolarHBondContact O-N 3.07Å | ||
| 51 | V | 55.2 | Low | 49.7 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -84.1 | 107.2 | 172 | -167.4 | 0 | 0 | 0 | 0 | 107.6 | P49 L53 | P49-V51 PolarHBondContact O-N 3.21Å; P49-V51 VanDerWaalsContact O-N 3.09Å; V51-L53 PolarHBondContact O-N 3.07Å | ||
| 52 | S | 57.2 | Low | 49.6 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 43% | 0.427 | 72% | 0.724 | S | S | . | * | trans | -69.3 | 113.5 | 172 | -85.5 | 0 | 0 | 0 | 0 | 111 | V50 H54 | V50-S52 PolarHBondContact O-N 3.07Å; S52-H54 WeakPolarHBondContact CB-CE1 3.13Å; S52-H54 WeakPolarHBondContact CB-NE2 3.32Å; S52-H54 PolarHBondContact O-N 3.2Å; S52-H54 VanDerWaalsContact O-N 3.16Å; S52-H54 PolarHBondContact OG-CE1 3.04Å; S52-H54 PolarHBondContact OG-NE2 3.22Å | ||
| 53 | L | 57.4 | Low | 50 | Low | 151 Ų | 151 | 125.8 Ų | 125.8 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -73 | 5.7 | 178.2 | -80.9 | 164.7 | 0 | 0 | 0 | 114.7 | V51 | V51-L53 PolarHBondContact O-N 3.07Š|
| 54 | H | 53.3 | Low | 50.3 | Low | 157 Ų | 157 | 125.3 Ų | 125.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -86.8 | 0.3 | -173.3 | 23.1 | -81.9 | 0 | 0 | 0 | 115.5 | S52 | S52-H54 WeakPolarHBondContact CB-CE1 3.13Å; S52-H54 WeakPolarHBondContact CB-NE2 3.32Å; S52-H54 PolarHBondContact O-N 3.2Å; S52-H54 VanDerWaalsContact O-N 3.16Å; S52-H54 PolarHBondContact OG-CE1 3.04Å; S52-H54 PolarHBondContact OG-NE2 3.22Å |
| 55 | D | 56.3 | Low | 50.3 | Low | 160 Ų | 160 | 131.4 Ų | 131.4 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -110.2 | 12.1 | 179.8 | -105.5 | -19 | 0 | 0 | 0 | 114.1 | ||
| 56 | V | 51.3 | Low | 50.3 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -117.8 | 97.3 | 179.6 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 57 | G | 38.6 | Very low | 50.1 | Low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 96.6 | 78.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 58 | S | 46.2 | Very low | 49.6 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -147 | 92.8 | 143.7 | -83.6 | 0 | 0 | 0 | 0 | 107 | P60 | S58-P60 WeakPolarHBondContact O-CD 3.4Š| ||
| 59 | H | 41.6 | Very low | 49.5 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 91% | 0.912 | 77% | 0.77 | S | S | * | * | trans | -59.6 | 115.6 | 161.5 | -89.2 | -87.4 | 0 | 0 | 0 | 108.1 | ||||
| 60 | P | 50.3 | Low | 48.8 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -90.1 | 116.5 | 157.1 | 9.7 | 12.8 | 0 | 0 | 0 | 106.3 | S58 S62 | S58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-S62 PolarHBondContact O-N 3.36Å | ||
| 61 | S | 43.5 | Very low | 48.3 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -40.7 | 126.9 | 158.7 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | S | 45.6 | Very low | 47.8 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | 56.7 | 113.5 | 141.6 | 62.1 | 0 | 0 | 0 | 0 | 118.1 | P60 | P60-S62 PolarHBondContact O-N 3.36Š| ||
| 63 | I | 51.9 | Low | 46.9 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | 161.8 | 135.2 | 111.3 | -73.4 | 147.6 | 0 | 0 | 0 | 108.8 | |||||
| 64 | E | 47.9 | Very low | 46.4 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -30.9 | 137.5 | 173.7 | -56 | 173.6 | 134.7 | 0 | 0 | 116.4 | ||||
| 65 | R | 45.4 | Very low | 46.1 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | 175.9 | 125.1 | 107.6 | -93.2 | 171.9 | 131.4 | 86.7 | 4.3 | 110.8 | |||||
| 66 | L | 45.5 | Very low | 45.6 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 132.2 | 168.5 | -65 | 159.6 | 0 | 0 | 0 | 109 | ||||
| 67 | D | 46.3 | Very low | 45.1 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | -158 | 133.8 | 128.7 | -116 | -29.9 | 0 | 0 | 0 | 112.5 | |||||
| 68 | M | 43.3 | Very low | 45.7 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -80.4 | 119.5 | -177.2 | -73.9 | -85.8 | 174.7 | 0 | 0 | 110 | ||||
| 69 | T | 49.4 | Very low | 45.7 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -143.6 | 117.1 | 154 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | S | 41.2 | Very low | 45.9 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -71.3 | 139.8 | 167.7 | 66.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 71 | S | 47.3 | Very low | 46.1 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -140.8 | 141.5 | 155.4 | -168.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 72 | V | 44.6 | Very low | 46.1 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -75.1 | 151.2 | -169.1 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 73 | A | 38.4 | Very low | 46.2 | Very low | 86 Ų | 86 | 155.8 Ų | 155.8 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -40.4 | 138.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 74 | E | 47 | Very low | 46.1 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -160 | 127.7 | 137.8 | -115.4 | 176.7 | 159.1 | 0 | 0 | 112.4 | R76 | E74-R76 PolarHBondContact O-N 3.45Š| ||
| 75 | K | 46.5 | Very low | 46.2 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -60.3 | 122.5 | 177.2 | -66.9 | 167 | 174.7 | 175 | 0 | 110.5 | ||||
| 76 | R | 45.4 | Very low | 46.2 | Very low | 214 Ų | 214 | 150 Ų | 150 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -139.8 | 119.8 | 153.6 | -69.8 | -167.1 | -179.4 | 169.5 | 3.3 | 111.3 | E74 L78 | E74-R76 PolarHBondContact O-N 3.45Å; R76-L78 HydrophobicContact CB-CD1 4.39Å; R76-L78 PolarHBondContact O-N 3.41Å | ||
| 77 | F | 42 | Very low | 46.3 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -54.8 | 116.3 | 168.9 | -74.5 | -101.7 | 0 | 0 | 0 | 110.9 | ||||
| 78 | L | 49.8 | Very low | 46.6 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | trans | -139.4 | 107 | 162.5 | -91.6 | 98.3 | 0 | 0 | 0 | 111.3 | R76 | R76-L78 HydrophobicContact CB-CD1 4.39Å; R76-L78 PolarHBondContact O-N 3.41Å | ||
| 79 | K | 46.2 | Very low | 47 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 81% | 0.809 | 81% | 0.812 | S | S | * | * | 50.9 | 105.2 | 124 | -147.9 | 98.7 | 166.7 | -168.1 | 0 | 116.7 | |||||
| 80 | H | 46.5 | Very low | 47.3 | Very low | 175 Ų | 175 | 146 Ų | 146 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -53.4 | 128.8 | 166.8 | -21.4 | -83.1 | 0 | 0 | 0 | 111.2 | ||||
| 81 | P | 54.5 | Low | 48.2 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -87.8 | 117.2 | 161.3 | 30.9 | -25 | 0 | 0 | 0 | 109.2 | A83 | P81-A83 PolarHBondContact O-N 3.26Å; P81-A83 VanDerWaalsContact O-N 3.16Å | ||
| 82 | S | 44.5 | Very low | 48.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -64 | 108 | 168.3 | -47.3 | 0 | 0 | 0 | 0 | 108.9 | S84 | S82-S84 PolarHBondContact O-N 3.42Š| ||
| 83 | A | 46.7 | Very low | 49.2 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | -81.2 | 107.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P81 F85 | P81-A83 PolarHBondContact O-N 3.26Å; P81-A83 VanDerWaalsContact O-N 3.16Å; A83-F85 WeakPolarHBondContact O-CD1 3.25Å; A83-F85 WeakPolarHBondContact O-CE1 2.9Å; A83-F85 PolarHBondContact O-N 3.04Å | ||
| 84 | S | 49.2 | Very low | 50.1 | Low | 117 Ų | 117 | 150.2 Ų | 150.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 117.9 | 164.6 | -52.7 | 0 | 0 | 0 | 0 | 108.6 | S82 | S82-S84 PolarHBondContact O-N 3.42Š| ||
| 85 | F | 49.8 | Very low | 50.6 | Low | 195 Ų | 195 | 150.1 Ų | 150.1 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -86.8 | 108.8 | 168.9 | 12.2 | -85.1 | 0 | 0 | 0 | 107.8 | A83 S87 | A83-F85 WeakPolarHBondContact O-CD1 3.25Å; A83-F85 WeakPolarHBondContact O-CE1 2.9Å; A83-F85 PolarHBondContact O-N 3.04Å; F85-S87 PolarHBondContact O-N 3.06Å | ||
| 86 | S | 47 | Very low | 50.9 | Low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -68 | 116.9 | 162 | -76.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 87 | S | 47.2 | Very low | 51.4 | Low | 118 Ų | 118 | 143.8 Ų | 143.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 123.5 | 162.8 | 62.8 | 0 | 0 | 0 | 0 | 108.5 | F85 | F85-S87 PolarHBondContact O-N 3.06Š| ||
| 88 | S | 52.9 | Low | 51.9 | Low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -119.9 | 119.4 | 163.1 | 40.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 89 | D | 51.6 | Low | 52.4 | Low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -48.2 | 128.2 | 174.4 | -67.1 | -66.8 | 0 | 0 | 0 | 111.7 | ||||
| 90 | D | 55.7 | Low | 52.9 | Low | 169 Ų | 169 | 137.5 Ų | 137.5 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -120.2 | 113.2 | 157.4 | -123.5 | -26.7 | 0 | 0 | 0 | 106.8 | ||||
| 91 | S | 58.6 | Low | 53.5 | Low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | -86.3 | 152.2 | -173.7 | -56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 92 | D | 52.7 | Low | 53.8 | Low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 75 | 87.7 | 150.1 | -49.5 | -30.6 | 0 | 0 | 0 | 118.9 | ||||
| 93 | I | 60.5 | Low | 54.7 | Low | 167 Ų | 167 | 134.2 Ų | 134.2 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -123.5 | 99.2 | 140.3 | -64.3 | 179.7 | 0 | 0 | 0 | 108 | ||||
| 94 | I | 57 | Low | 55.6 | Low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -79.8 | 113.1 | 162.4 | -62.6 | 166.6 | 0 | 0 | 0 | 106 | ||||
| 95 | E | 58.6 | Low | 56.4 | Low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -141.8 | 131.1 | 152 | -135.9 | 173.9 | -166.5 | 0 | 0 | 111.3 | ||||
| 96 | N | 52.9 | Low | 57.3 | Low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -94.9 | 101.1 | -158.8 | -179.8 | 32.1 | 0 | 0 | 0 | 108.3 | ||||
| 97 | N | 56.6 | Low | 58.5 | Low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -118 | 88.1 | 168.7 | -80.4 | -24.5 | 0 | 0 | 0 | 109.7 | I99 | N97-I99 HydrophobicContact CB-CG1 4.27Å; N97-I99 PolarHBondContact O-N 3.43Å | ||
| 98 | N | 50.9 | Low | 59.8 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -59.2 | 96.4 | 157.5 | 175.9 | 18 | 0 | 0 | 0 | 109 | N100 | N98-N100 PolarHBondContact OD1-OD1 2.9Š| ||
| 99 | I | 60.1 | Low | 61.1 | Low | 132 Ų | 132 | 135.8 Ų | 135.8 | 68% | 0.677 | 73% | 0.726 | S | S | * | * | trans | -113.5 | 89.5 | 166 | -37.6 | 172.8 | 0 | 0 | 0 | 106.3 | N97 S101 | N97-I99 HydrophobicContact CB-CG1 4.27Å; N97-I99 PolarHBondContact O-N 3.43Å; I99-S101 PolarHBondContact O-N 3.01Å | ||
| 100 | N | 58.2 | Low | 61.7 | Low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -67.7 | 82.7 | 160.5 | -88.9 | 30.5 | 0 | 0 | 0 | 108.1 | N98 | N98-N100 PolarHBondContact OD1-OD1 2.9Š| ||
| 101 | S | 58.4 | Low | 62.2 | Low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | -93 | 102.6 | 157 | 52.1 | 0 | 0 | 0 | 0 | 106.8 | I99 D103 | I99-S101 PolarHBondContact O-N 3.01Å; S101-D103 PolarHBondContact O-N 3.49Å; S101-D103 VanDerWaalsContact O-N 3.1Å | ||
| 102 | I | 61.8 | Low | 62.5 | Low | 142 Ų | 142 | 131.3 Ų | 131.3 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | trans | -73.1 | 100.1 | 170.4 | -146.9 | 146.3 | 0 | 0 | 0 | 105.4 | E104 | I102-E104 HydrophobicContact CG1-CG 4.4Å; I102-E104 HydrophobicContact CG2-CG 3.91Å; I102-E104 PolarHBondContact O-N 3.17Å | ||
| 103 | D | 62.9 | Low | 63.2 | Low | 110 Ų | 110 | 131.7 Ų | 131.7 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | trans | -81.5 | 93.7 | 177.8 | -164.2 | -2.3 | 0 | 0 | 0 | 106.9 | S101 D105 | S101-D103 PolarHBondContact O-N 3.49Å; S101-D103 VanDerWaalsContact O-N 3.1Å; D103-D105 VanDerWaalsContact C-N 3.3Å | ||
| 104 | E | 65 | Low | 63.6 | Low | 157 Ų | 157 | 129.6 Ų | 129.6 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -90.2 | 10.3 | -176.8 | -63.7 | -114.1 | 129.3 | 0 | 0 | 112.3 | I102 | I102-E104 HydrophobicContact CG1-CG 4.4Å; I102-E104 HydrophobicContact CG2-CG 3.91Å; I102-E104 PolarHBondContact O-N 3.17Å | ||
| 105 | D | 65.8 | Low | 63.8 | Low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | trans | -97 | -2.9 | -177.7 | -85.1 | -36.7 | 0 | 0 | 0 | 114.3 | D103 D107 | D103-D105 VanDerWaalsContact C-N 3.3Å; D105-D107 PolarHBondContact O-N 3.39Å | ||
| 106 | D | 69.4 | Low | 63.9 | Low | 137 Ų | 137 | 126.5 Ų | 126.5 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -10.5 | -176.8 | -85.6 | -31.5 | 0 | 0 | 0 | 115.1 | ||
| 107 | D | 72.6 | Confident | 63.9 | Low | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 14.1 | -173.4 | -81.2 | -35.9 | 0 | 0 | 0 | 114.9 | D105 P109 | D105-D107 PolarHBondContact O-N 3.39Å; D107-P109 VanDerWaalsContact O-CD 3.27Å; D107-P109 WeakPolarHBondContact O-CD 3.36Å |
| 108 | L | 73.1 | Confident | 63.7 | Low | 100 Ų | 100 | 128 Ų | 128 | 52% | 0.524 | 69% | 0.694 | S | S | . | * | trans | -70.9 | 116.3 | -179.3 | -162.4 | 70.9 | 0 | 0 | 0 | 111.2 | L110 T112 F113 | L108-L110 PolarHBondContact O-N 2.74Å; L108-T112 HydrophobicContact CD1-CG2 4.41Å; L108-T112 HydrophobicContact CD2-CG2 4.11Å; L108-T112 HydrophobicContact CG-CG2 4.4Å; L108-F113 HydrophobicContact CD2-CE2 3.84Å; L108-F113 HydrophobicContact CD2-CZ 3.97Å | ||
| 109 | P | 79.9 | Confident | 63.6 | Low | 74 Ų | 74 | 128.5 Ų | 128.5 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | trans | -65.8 | 139.9 | -177.7 | 27.1 | -34.1 | 0 | 0 | 0 | 110.5 | D107 S111 T112 | D107-P109 VanDerWaalsContact O-CD 3.27Å; D107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-S111 PolarHBondContact O-N 2.72Å; P109-T112 WeakPolarHBondContact O-CB 3.18Å; P109-T112 PolarHBondContact O-N 3.08Å; P109-T112 PolarHBondContact O-OG1 3.15Å | ||
| 110 | L | 66 | Low | 62.7 | Low | 146 Ų | 146 | 128.5 Ų | 128.5 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -53.3 | -18.2 | 178.6 | -71 | 170.3 | 0 | 0 | 0 | 113.8 | L108 T112 F113 | L108-L110 PolarHBondContact O-N 2.74Å; L110-T112 PolarHBondContact O-N 3.03Å; L110-F113 PolarHBondContact O-N 3.24Å; L110-F113 VanDerWaalsContact O-N 3.16Å |
| 111 | S | 65.9 | Low | 61.9 | Low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -60.1 | -23.7 | 173 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | P109 F113 L114 | P109-S111 PolarHBondContact O-N 2.72Å; S111-F113 PolarHBondContact O-N 2.77Å; S111-L114 PolarHBondContact O-N 3.4Å |
| 112 | T | 64.5 | Low | 61.2 | Low | 84 Ų | 84 | 129.4 Ų | 129.4 | 52% | 0.515 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -71.8 | -21.5 | 178.4 | -38.6 | 0 | 0 | 0 | 0 | 112.1 | L108 P109 L110 | L108-T112 HydrophobicContact CD1-CG2 4.41Å; L108-T112 HydrophobicContact CD2-CG2 4.11Å; L108-T112 HydrophobicContact CG-CG2 4.4Å; P109-T112 WeakPolarHBondContact O-CB 3.18Å; P109-T112 PolarHBondContact O-N 3.08Å; P109-T112 PolarHBondContact O-OG1 3.15Å; L110-T112 PolarHBondContact O-N 3.03Å |
| 113 | F | 66.6 | Low | 60.4 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -97.3 | 4.7 | -179.2 | -64.2 | -80.8 | 0 | 0 | 0 | 113.6 | L108 L110 S111 | L108-F113 HydrophobicContact CD2-CE2 3.84Å; L108-F113 HydrophobicContact CD2-CZ 3.97Å; L110-F113 PolarHBondContact O-N 3.24Å; L110-F113 VanDerWaalsContact O-N 3.16Å; S111-F113 PolarHBondContact O-N 2.77Å |
| 114 | L | 68.8 | Low | 59.4 | Low | 123 Ų | 123 | 130.3 Ų | 130.3 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -84.1 | 126.8 | 176.6 | -65 | 179.7 | 0 | 0 | 0 | 109.9 | S111 L116 | S111-L114 PolarHBondContact O-N 3.4Å; L114-L116 PolarHBondContact O-N 2.93Å; L114-L116 VanDerWaalsContact O-N 3.13Å |
| 115 | P | 62.2 | Low | 58.3 | Low | 106 Ų | 106 | 128.2 Ų | 128.2 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 122.4 | 173.6 | -23.3 | 31.9 | 0 | 0 | 0 | 110.1 | K117 | P115-K117 PolarHBondContact O-N 2.82Å; P115-K117 VanDerWaalsContact O-N 3.15Å |
| 116 | L | 61.2 | Low | 57.3 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.5 | 172.1 | -71.7 | 165 | 0 | 0 | 0 | 107.7 | L114 S118 | L114-L116 PolarHBondContact O-N 2.93Å; L114-L116 VanDerWaalsContact O-N 3.13Å; L116-S118 PolarHBondContact O-N 3.5Å |
| 117 | K | 52.2 | Low | 56.2 | Low | 192 Ų | 192 | 126.9 Ų | 126.9 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | trans | -64.4 | 104.3 | 174.2 | -68 | 174.8 | 178.7 | 173.4 | 0 | 107.7 | P115 D119 | P115-K117 PolarHBondContact O-N 2.82Å; P115-K117 VanDerWaalsContact O-N 3.15Å; K117-D119 VanDerWaalsContact C-N 3.33Å; K117-D119 PolarHBondContact O-N 2.99Å | ||
| 118 | S | 51.5 | Low | 55 | Low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -67.4 | 92.1 | 171 | -47.3 | 0 | 0 | 0 | 0 | 109 | L116 T120 | L116-S118 PolarHBondContact O-N 3.5Å; S118-T120 PolarHBondContact O-N 2.69Å | ||
| 119 | D | 48.6 | Very low | 53.8 | Low | 142 Ų | 142 | 125 Ų | 125 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | -62.9 | 118.1 | 167.4 | -80.1 | -36.8 | 0 | 0 | 0 | 109.2 | K117 | K117-D119 VanDerWaalsContact C-N 3.33Å; K117-D119 PolarHBondContact O-N 2.99Å | ||
| 120 | T | 41.3 | Very low | 52.1 | Low | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 56.8 | 85.1 | 157 | 46.7 | 0 | 0 | 0 | 0 | 117.7 | S118 | S118-T120 PolarHBondContact O-N 2.69Š| ||
| 121 | L | 43.2 | Very low | 51.1 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | trans | -137.6 | 90.5 | 141.8 | -152 | 71.6 | 0 | 0 | 0 | 111.1 | ||||
| 122 | T | 42.6 | Very low | 50 | Low | 99 Ų | 99 | 131.1 Ų | 131.1 | 61% | 0.607 | 71% | 0.709 | S | S | * | * | trans | 10.2 | 121.6 | 141.7 | 44.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 123 | N | 45.1 | Very low | 48.9 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | S | Bend | 79.8 | 94.9 | 129.6 | -54.7 | -9.6 | 0 | 0 | 0 | 117.4 | T125 | N123-T125 PolarHBondContact O-N 2.72Š| |
| 124 | N | 41.6 | Very low | 47.7 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | 44.1 | 73.3 | 141 | 47.2 | -83.7 | 0 | 0 | 0 | 116.4 | ||||
| 125 | T | 43 | Very low | 46.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | trans | -115.6 | 102.7 | 159.6 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | N123 I127 | N123-T125 PolarHBondContact O-N 2.72Å; T125-I127 VanDerWaalsContact C-N 3.29Å; T125-I127 HydrophobicContact CG2-CD1 4.23Å; T125-I127 HydrophobicContact CG2-CG1 3.46Å; T125-I127 VanDerWaalsContact CG2-CG1 3.46Å; T125-I127 PolarHBondContact O-N 3.38Å | ||
| 126 | T | 44.5 | Very low | 45.2 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -67.3 | 91.4 | 159.9 | -52.9 | 0 | 0 | 0 | 0 | 106.9 | I128 | T126-I128 HydrophobicContact CG2-CG1 3.94Å; T126-I128 PolarHBondContact O-N 3.5Å; T126-I128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | I | 46.1 | Very low | 44.2 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 64% | 0.641 | 73% | 0.73 | S | S | * | * | trans | -79.2 | 97 | 169.6 | -58.2 | -174.4 | 0 | 0 | 0 | 106.6 | T125 T129 | T125-I127 VanDerWaalsContact C-N 3.29Å; T125-I127 HydrophobicContact CG2-CD1 4.23Å; T125-I127 HydrophobicContact CG2-CG1 3.46Å; T125-I127 VanDerWaalsContact CG2-CG1 3.46Å; T125-I127 PolarHBondContact O-N 3.38Å; I127-T129 VanDerWaalsContact C-N 3.29Å; I127-T129 HydrophobicContact CG2-CG2 4.03Å; I127-T129 PolarHBondContact O-N 3.04Å; I127-T129 VanDerWaalsContact O-N 3.08Å | ||
| 128 | I | 48.1 | Very low | 43.8 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | trans | -72.5 | 89 | 164.8 | -55.5 | 174.8 | 0 | 0 | 0 | 106.1 | T126 N130 | T126-I128 HydrophobicContact CG2-CG1 3.94Å; T126-I128 PolarHBondContact O-N 3.5Å; T126-I128 VanDerWaalsContact O-N 3.15Å; I128-N130 PolarHBondContact O-N 2.82Å | ||
| 129 | T | 47.5 | Very low | 43.4 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 54% | 0.54 | 72% | 0.721 | S | S | . | * | trans | -78.7 | 78.4 | 166.8 | 18 | 0 | 0 | 0 | 0 | 108.9 | I127 H131 | I127-T129 VanDerWaalsContact C-N 3.29Å; I127-T129 HydrophobicContact CG2-CG2 4.03Å; I127-T129 PolarHBondContact O-N 3.04Å; I127-T129 VanDerWaalsContact O-N 3.08Å; T129-H131 VanDerWaalsContact C-N 3.26Å; T129-H131 PolarHBondContact O-N 3.11Å | ||
| 130 | N | 43 | Very low | 43.2 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -68.1 | 92.6 | 154.9 | -80.7 | -17.1 | 0 | 0 | 0 | 106.9 | I128 H132 | I128-N130 PolarHBondContact O-N 2.82Å; N130-H132 PolarHBondContact O-N 3.02Å | ||
| 131 | H | 45.9 | Very low | 42.9 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | trans | -71.7 | 73.1 | 161.4 | -67.7 | -71.5 | 0 | 0 | 0 | 108.4 | T129 Y133 | T129-H131 VanDerWaalsContact C-N 3.26Å; T129-H131 PolarHBondContact O-N 3.11Å; H131-Y133 VanDerWaalsContact C-N 3.32Å; H131-Y133 HydrophobicContact CB-CE2 4.45Å; H131-Y133 PolarHBondContact O-N 2.06Å | ||
| 132 | H | 42 | Very low | 42.8 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -66.3 | 93.9 | 161.7 | -100.7 | 66.8 | 0 | 0 | 0 | 107.2 | N130 | N130-H132 PolarHBondContact O-N 3.02Š| ||
| 133 | Y | 42.4 | Very low | 42.5 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | trans | -71 | 131.7 | 158.2 | -81.2 | -83.6 | 0 | 0 | 0 | 108.1 | H131 N135 | H131-Y133 VanDerWaalsContact C-N 3.32Å; H131-Y133 HydrophobicContact CB-CE2 4.45Å; H131-Y133 PolarHBondContact O-N 2.06Å; Y133-N135 PolarHBondContact O-N 3.48Å; Y133-N135 VanDerWaalsContact O-N 3.11Å | ||
| 134 | P | 41.2 | Very low | 42.5 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -65.3 | 115.4 | -175.8 | 24.2 | -31.1 | 0 | 0 | 0 | 110.3 | N136 | P134-N136 VanDerWaalsContact C-N 3.34Å; P134-N136 PolarHBondContact O-N 3.39Å | ||
| 135 | N | 38.8 | Very low | 42.4 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -63 | 94.4 | 162.4 | 179.9 | 11 | 0 | 0 | 0 | 108 | Y133 N137 | Y133-N135 PolarHBondContact O-N 3.48Å; Y133-N135 VanDerWaalsContact O-N 3.11Å; N135-N137 VanDerWaalsContact C-N 3.31Å; N135-N137 PolarHBondContact O-N 3.35Å | ||
| 136 | N | 39.7 | Very low | 42.4 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | -78.8 | 87.1 | 177.6 | -163.4 | 7.7 | 0 | 0 | 0 | 109.1 | P134 N138 | P134-N136 VanDerWaalsContact C-N 3.34Å; P134-N136 PolarHBondContact O-N 3.39Å; N136-N138 PolarHBondContact O-N 2.89Å; N136-N138 PolarHBondContact OD1-ND2 3.09Å | ||
| 137 | N | 39.5 | Very low | 42.4 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -78.4 | 98.2 | 170.9 | -158.3 | 9.6 | 0 | 0 | 0 | 108 | N135 | N135-N137 VanDerWaalsContact C-N 3.31Å; N135-N137 PolarHBondContact O-N 3.35Å | ||
| 138 | N | 44.8 | Very low | 42.5 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -137.5 | 97.2 | 167.1 | -89.8 | -34.6 | 0 | 0 | 0 | 110.9 | N136 S140 | N136-N138 PolarHBondContact O-N 2.89Å; N136-N138 PolarHBondContact OD1-ND2 3.09Å; N138-S140 PolarHBondContact O-N 2.93Å | ||
| 139 | N | 42.1 | Very low | 42.6 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -21.9 | 117.8 | 151.5 | 179.2 | 14.8 | 0 | 0 | 0 | 114.4 | ||||
| 140 | S | 44.4 | Very low | 42.8 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -170.9 | 96.5 | 138 | -81.9 | 0 | 0 | 0 | 0 | 111.1 | N138 S142 | N138-S140 PolarHBondContact O-N 2.93Å; S140-S142 PolarHBondContact O-N 3.34Å | ||
| 141 | N | 35.7 | Very low | 43.3 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 21.8 | 97.2 | 138.9 | -155.6 | 20.6 | 0 | 0 | 0 | 117.3 | ||||
| 142 | S | 41.7 | Very low | 43.9 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -158.3 | 114.2 | 148.7 | -83.5 | 0 | 0 | 0 | 0 | 110 | S140 N144 | S140-S142 PolarHBondContact O-N 3.34Å; S142-N144 PolarHBondContact O-N 3.17Å | ||
| 143 | N | 36.3 | Very low | 44.7 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | -56.8 | 115.1 | 176 | -54.4 | -44 | 0 | 0 | 0 | 109.8 | ||||
| 144 | N | 43.7 | Very low | 45.5 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | trans | -172.7 | 90.8 | 154.7 | -84.1 | -25.3 | 0 | 0 | 0 | 107.7 | S142 N146 | S142-N144 PolarHBondContact O-N 3.17Å; N144-N146 VanDerWaalsContact C-N 3.35Å; N144-N146 PolarHBondContact O-N 3.23Å | ||
| 145 | S | 39.5 | Very low | 46.6 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -73 | 83.4 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 146 | N | 43.5 | Very low | 48 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | trans | -111.4 | 87.8 | 166.8 | -81.2 | -19.2 | 0 | 0 | 0 | 108.8 | N144 D148 | N144-N146 VanDerWaalsContact C-N 3.35Å; N144-N146 PolarHBondContact O-N 3.23Å; N146-D148 PolarHBondContact O-N 3.07Å | ||
| 147 | H | 45 | Very low | 49.3 | Very low | 176 Ų | 176 | 121.2 Ų | 121.2 | 82% | 0.815 | 67% | 0.673 | S | S | * | * | trans | 33 | 86.1 | 151.6 | -136.6 | -15.9 | 0 | 0 | 0 | 115.5 | Q149 | H147-Q149 VanDerWaalsContact C-N 3.33Å; H147-Q149 PolarHBondContact O-N 3.28Å | ||
| 148 | D | 47.2 | Very low | 50.6 | Low | 150 Ų | 150 | 116.4 Ų | 116.4 | 80% | 0.802 | 65% | 0.649 | S | S | * | * | trans | -56.1 | 100.4 | 165.5 | -76.2 | -44.5 | 0 | 0 | 0 | 108.6 | N146 N150 | N146-D148 PolarHBondContact O-N 3.07Å; D148-N150 VanDerWaalsContact C-N 3.25Å; D148-N150 PolarHBondContact O-N 3.42Å | ||
| 149 | Q | 49.9 | Very low | 51.8 | Low | 171 Ų | 171 | 117.2 Ų | 117.2 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | trans | -62.4 | 97.5 | 164.1 | -66.6 | -176.1 | 10.6 | 0 | 0 | 105.2 | H147 N151 | H147-Q149 VanDerWaalsContact C-N 3.33Å; H147-Q149 PolarHBondContact O-N 3.28Å; Q149-N151 PolarHBondContact O-N 3.16Å | ||
| 150 | N | 52 | Low | 52.9 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | trans | -43.2 | 105.9 | 169.5 | -83.8 | -34.3 | 0 | 0 | 0 | 108.2 | D148 F152 | D148-N150 VanDerWaalsContact C-N 3.25Å; D148-N150 PolarHBondContact O-N 3.42Å; N150-F152 PolarHBondContact O-N 3.12Å | ||
| 151 | N | 54.4 | Low | 54.1 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -56.6 | 90.5 | 173.6 | -116.7 | 9.8 | 0 | 0 | 0 | 107 | Q149 I153 | Q149-N151 PolarHBondContact O-N 3.16Å; N151-I153 PolarHBondContact O-N 3.37Å | ||
| 152 | F | 57.6 | Low | 55.6 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 36% | 0.36 | 63% | 0.629 | S | S | . | * | trans | -73.6 | 98.6 | 176.7 | -176.1 | -97.2 | 0 | 0 | 0 | 105.4 | N150 P154 T182 A186 | N150-F152 PolarHBondContact O-N 3.12Å; F152-P154 HydrophobicContact CD1-CB 4.48Å; F152-P154 HydrophobicContact CE1-CB 4.26Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å; F152-T182 HydrophobicContact CE1-CG2 4.17Å; F152-A186 HydrophobicContact CD1-CB 4.28Å; F152-A186 HydrophobicContact CE1-CB 4.24Å | ||
| 153 | I | 59.2 | Low | 56.8 | Low | 130 Ų | 130 | 109.4 Ų | 109.4 | 67% | 0.667 | 61% | 0.605 | S | S | * | * | trans | -79.2 | 110.6 | 171 | -59.1 | 176.5 | 0 | 0 | 0 | 105.8 | N151 S155 | N151-I153 PolarHBondContact O-N 3.37Å; I153-S155 PolarHBondContact O-N 2.11Å | ||
| 154 | P | 60.6 | Low | 58.2 | Low | 51 Ų | 51 | 109.7 Ų | 109.7 | 33% | 0.331 | 61% | 0.606 | S | S | . | * | trans | -66.1 | 99.2 | 179.9 | 26.6 | -33.1 | 0 | 0 | 0 | 109.5 | F152 F173 T182 | F152-P154 HydrophobicContact CD1-CB 4.48Å; F152-P154 HydrophobicContact CE1-CB 4.26Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å; P154-F173 HydrophobicContact CB-CZ 4.15Å; P154-F173 HydrophobicContact CG-CZ 4.4Å; P154-T182 HydrophobicContact CB-CG2 3.13Å | ||
| 155 | S | 64 | Low | 59.5 | Low | 86 Ų | 86 | 109.1 Ų | 109.1 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | trans | -92.1 | 143.8 | 173.8 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | I153 P157 | I153-S155 PolarHBondContact O-N 2.11Å; S155-P157 WeakPolarHBondContact O-CD 3.42Å | ||
| 156 | C | 66.9 | Low | 61 | Low | 25 Ų | 25 | 104.6 Ų | 104.6 | 17% | 0.169 | 57% | 0.569 | C | S | . | * | trans | -53.3 | 122.6 | 174.1 | -164.3 | 0 | 0 | 0 | 0 | 110.8 | C158 F173 C178 | C156-C158 HydrophobicContact CB-CB 4.48Å; C156-C158 WeakPolarHBondContact CB-SG 3.22Å; C156-C158 PolarHBondContact O-N 3.46Å; C156-C158 WeakPolarHBondContact SG-CB 3.4Å; C156-C158 CovalentContact SG-SG 2.06Å; C156-C158 PolarHBondContact SG-SG 3.42Å; C156-F173 HydrophobicContact CB-CD1 4.43Å; C156-C178 WeakPolarHBondContact SG-CB 3.47Å; C156-C178 PolarHBondContact SG-SG 3.05Å | ||
| 157 | P | 67.1 | Low | 62.6 | Low | 53 Ų | 53 | 102.7 Ų | 102.7 | 34% | 0.344 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -81.8 | 31.9 | -179.9 | 5.7 | 10.3 | 0 | 0 | 0 | 111.1 | S155 R181 T182 | S155-P157 WeakPolarHBondContact O-CD 3.42Å; P157-R181 PolarHBondContact O-NH2 3.32Å; P157-T182 WeakPolarHBondContact CD-OG1 3.4Å |
| 158 | C | 67.2 | Low | 64.2 | Low | 34 Ų | 34 | 103.1 Ų | 103.1 | 23% | 0.23 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -129.1 | 146.1 | -168.5 | 72.4 | 0 | 0 | 0 | 0 | 108.5 | C156 K160 C174 C178 | C156-C158 HydrophobicContact CB-CB 4.48Å; C156-C158 WeakPolarHBondContact CB-SG 3.22Å; C156-C158 PolarHBondContact O-N 3.46Å; C156-C158 WeakPolarHBondContact SG-CB 3.4Å; C156-C158 CovalentContact SG-SG 2.06Å; C156-C158 PolarHBondContact SG-SG 3.42Å; C158-K160 PolarHBondContact O-N 2.92Å; C158-K160 PolarHBondContact SG-O 2.85Å; C158-C174 HydrophobicContact CB-CB 4.49Å; C158-C174 WeakPolarHBondContact SG-CB 3.44Å; C158-C178 VanDerWaalsContact CB-SG 3.51Å; C158-C178 PolarHBondContact SG-SG 2.99Å |
| 159 | T | 69.7 | Low | 65.5 | Low | 154 Ų | 154 | 96.3 Ų | 96.3 | 95% | 0.945 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -81 | 3.1 | 173.6 | 47.9 | 0 | 0 | 0 | 0 | 113 | ||
| 160 | K | 65.9 | Low | 66.6 | Low | 147 Ų | 147 | 94.4 Ų | 94.4 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -84 | 139.7 | -178.2 | -69.8 | -177.5 | -178.3 | 178 | 0 | 109.7 | C158 C174 | C158-K160 PolarHBondContact O-N 2.92Å; C158-K160 PolarHBondContact SG-O 2.85Å; K160-C174 HydrophobicContact CB-CB 3.73Å |
| 161 | P | 68.2 | Low | 67.6 | Low | 111 Ų | 111 | 89.8 Ų | 89.8 | 72% | 0.721 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 145.7 | 173.8 | 27.6 | -33.9 | 0 | 0 | 0 | 109.3 | ||
| 162 | A | 68.1 | Low | 68.6 | Low | 29 Ų | 29 | 87.1 Ų | 87.1 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L164 G171 F173 | A162-L164 PolarHBondContact O-N 3.16Å; A162-L164 VanDerWaalsContact O-N 3.17Å; A162-G171 WeakPolarHBondContact CB-O 3.29Å; A162-F173 WeakPolarHBondContact CA-O 3.3Å |
| 163 | V | 66.4 | Low | 69.7 | Low | 52 Ų | 52 | 83.8 Ų | 83.8 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | trans | -77.9 | 105.1 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | D165 D166 L169 F173 C174 | V163-D165 HydrophobicContact CG1-CB 4.35Å; V163-D165 PolarHBondContact O-N 3.05Å; V163-D166 HydrophobicContact CB-CB 4.42Å; V163-D166 HydrophobicContact CG1-CB 3.86Å; V163-L169 HydrophobicContact CB-CD1 4.26Å; V163-F173 PolarHBondContact N-O 3.02Å; V163-C174 WeakPolarHBondContact CG2-O 3.13Å | ||
| 164 | L | 66.2 | Low | 70.9 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 78% | 0.78 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.6 | 176.8 | -78.8 | 148.7 | 0 | 0 | 0 | 112.4 | A162 | A162-L164 PolarHBondContact O-N 3.16Å; A162-L164 VanDerWaalsContact O-N 3.17Å |
| 165 | D | 71.1 | Confident | 71.9 | Confident | 144 Ų | 144 | 78 Ų | 78 | 77% | 0.77 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7.9 | -175.1 | -56.2 | -39.8 | 0 | 0 | 0 | 113.3 | V163 P167 | V163-D165 HydrophobicContact CG1-CB 4.35Å; V163-D165 PolarHBondContact O-N 3.05Å; D165-P167 WeakPolarHBondContact O-CD 3.3Å |
| 166 | D | 71.6 | Confident | 72.8 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.144 | 43% | 0.434 | C | S | . | . | trans | -106.7 | 100.7 | 178 | -165.4 | -21.9 | 0 | 0 | 0 | 109.8 | V163 R168 L169 | V163-D166 HydrophobicContact CB-CB 4.42Å; V163-D166 HydrophobicContact CG1-CB 3.86Å; D166-R168 PolarHBondContact O-N 3.4Å; D166-R168 VanDerWaalsContact OD1-CB 3.25Å; D166-R168 WeakPolarHBondContact OD1-CB 3.3Å; D166-R168 WeakPolarHBondContact OD1-CG 3.46Å; D166-R168 IonicContact OD1-CZ 3.39Å; D166-R168 PolarHBondContact OD1-N 3.3Å; D166-R168 IonicContact OD1-NE 2.74Å; D166-R168 PolarHBondContact OD1-NE 2.88Å; D166-R168 IonicContact OD1-NH2 3.49Å; D166-R168 IonicContact OD2-CZ 3.68Å; D166-R168 IonicContact OD2-NE 3.73Å; D166-R168 PolarHBondContact OD2-NE 2.95Å; D166-R168 IonicContact OD2-NH2 2.9Å; D166-R168 PolarHBondContact OD2-NH2 3.15Å; D166-L169 HydrophobicContact CB-CB 4.46Å; D166-L169 HydrophobicContact CB-CD1 4.13Å; D166-L169 HydrophobicContact CB-CG 4.15Å; D166-L169 PolarHBondContact O-N 2.91Å | ||
| 167 | P | 75.8 | Confident | 73.7 | Confident | 108 Ų | 108 | 82.7 Ų | 82.7 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -61.9 | -17.9 | -179.2 | 24.1 | -32.6 | 0 | 0 | 0 | 112.7 | D165 L169 | D165-P167 WeakPolarHBondContact O-CD 3.3Å; P167-L169 VanDerWaalsContact C-N 3.25Å; P167-L169 PolarHBondContact O-N 2.91Å |
| 168 | R | 78.1 | Confident | 74.5 | Confident | 185 Ų | 185 | 80.6 Ų | 80.6 | 70% | 0.698 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -74.2 | -18.4 | 177 | -55.4 | 172.5 | -64.2 | 177 | 3.4 | 113 | D166 | D166-R168 PolarHBondContact O-N 3.4Å; D166-R168 VanDerWaalsContact OD1-CB 3.25Å; D166-R168 WeakPolarHBondContact OD1-CB 3.3Å; D166-R168 WeakPolarHBondContact OD1-CG 3.46Å; D166-R168 IonicContact OD1-CZ 3.39Å; D166-R168 PolarHBondContact OD1-N 3.3Å; D166-R168 IonicContact OD1-NE 2.74Å; D166-R168 PolarHBondContact OD1-NE 2.88Å; D166-R168 IonicContact OD1-NH2 3.49Å; D166-R168 IonicContact OD2-CZ 3.68Å; D166-R168 IonicContact OD2-NE 3.73Å; D166-R168 PolarHBondContact OD2-NE 2.95Å; D166-R168 IonicContact OD2-NH2 2.9Å; D166-R168 PolarHBondContact OD2-NH2 3.15Å |
| 169 | L | 76.2 | Confident | 75.4 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -99.9 | -0.2 | -178.6 | -59.8 | -177.6 | 0 | 0 | 0 | 112.2 | V163 D166 P167 G171 L172 F173 L179 | V163-L169 HydrophobicContact CB-CD1 4.26Å; D166-L169 HydrophobicContact CB-CB 4.46Å; D166-L169 HydrophobicContact CB-CD1 4.13Å; D166-L169 HydrophobicContact CB-CG 4.15Å; D166-L169 PolarHBondContact O-N 2.91Å; P167-L169 VanDerWaalsContact C-N 3.25Å; P167-L169 PolarHBondContact O-N 2.91Å; L169-G171 PolarHBondContact O-N 2.93Å; L169-L172 PolarHBondContact O-N 3.36Å; L169-F173 HydrophobicContact CB-CB 4.34Å; L169-F173 HydrophobicContact CD2-CB 4.27Å; L169-L179 HydrophobicContact CD2-CB 4.17Å; L169-L179 HydrophobicContact CD2-CD2 3.89Å |
| 170 | D | 72.7 | Confident | 76.2 | Confident | 131 Ų | 131 | 77.5 Ų | 77.5 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 19.5 | -178.6 | -72.9 | -32.3 | 0 | 0 | 0 | 114.8 | L172 | D170-L172 HydrophobicContact CB-CD1 4.15Å; D170-L172 HydrophobicContact CB-CG 4.26Å; D170-L172 PolarHBondContact O-N 3.35Å |
| 171 | G | 73.5 | Confident | 77.2 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A162 L169 | A162-G171 WeakPolarHBondContact CB-O 3.29Å; L169-G171 PolarHBondContact O-N 2.93Å |
| 172 | L | 74.8 | Confident | 78 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -24.6 | 177.4 | -67.9 | 173.8 | 0 | 0 | 0 | 112.9 | L169 D170 | L169-L172 PolarHBondContact O-N 3.36Å; D170-L172 HydrophobicContact CB-CD1 4.15Å; D170-L172 HydrophobicContact CB-CG 4.26Å; D170-L172 PolarHBondContact O-N 3.35Å |
| 173 | F | 81.3 | Confident | 78.9 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 6% | 0.057 | 39% | 0.386 | C | S | . | . | trans | -123.5 | 146.1 | -174 | -56.7 | -82.5 | 0 | 0 | 0 | 112.9 | P154 C156 A162 V163 L169 S175 C178 L179 T182 | P154-F173 HydrophobicContact CB-CZ 4.15Å; P154-F173 HydrophobicContact CG-CZ 4.4Å; C156-F173 HydrophobicContact CB-CD1 4.43Å; A162-F173 WeakPolarHBondContact CA-O 3.3Å; V163-F173 PolarHBondContact N-O 3.02Å; L169-F173 HydrophobicContact CB-CB 4.34Å; L169-F173 HydrophobicContact CD2-CB 4.27Å; F173-S175 VanDerWaalsContact C-N 3.31Å; F173-S175 PolarHBondContact O-N 2.9Å; F173-C178 HydrophobicContact CB-CB 4.27Å; F173-L179 HydrophobicContact CB-CB 4.23Å; F173-L179 HydrophobicContact CD1-CB 4.16Å; F173-L179 HydrophobicContact CD1-CD1 4.5Å; F173-L179 HydrophobicContact CD2-CB 4.14Å; F173-L179 HydrophobicContact CD2-CD1 3.77Å; F173-L179 HydrophobicContact CD2-CG 4.48Å; F173-L179 HydrophobicContact CE1-CD1 4.25Å; F173-L179 HydrophobicContact CE2-CD1 3.48Å; F173-L179 VanDerWaalsContact CE2-CD1 3.48Å; F173-L179 HydrophobicContact CG-CB 3.9Å; F173-L179 HydrophobicContact CG-CD1 4.27Å; F173-L179 HydrophobicContact CZ-CD1 3.75Å; F173-T182 HydrophobicContact CE1-CG2 4.26Å | ||
| 174 | C | 82.7 | Confident | 80 | Confident | 18 Ų | 18 | 75.7 Ų | 75.7 | 12% | 0.122 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -76.3 | -17.8 | -179.5 | 87.4 | 0 | 0 | 0 | 0 | 114.9 | C158 K160 V163 C178 | C158-C174 HydrophobicContact CB-CB 4.49Å; C158-C174 WeakPolarHBondContact SG-CB 3.44Å; K160-C174 HydrophobicContact CB-CB 3.73Å; V163-C174 WeakPolarHBondContact CG2-O 3.13Å; C174-C178 HydrophobicContact CB-CB 4.23Å; C174-C178 WeakPolarHBondContact CB-SG 3.35Å; C174-C178 WeakPolarHBondContact SG-CB 3.24Å; C174-C178 CovalentContact SG-SG 2.11Å; C174-C178 PolarHBondContact SG-SG 3.1Å |
| 175 | S | 81.9 | Confident | 80.9 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -174.9 | 165.3 | -173 | 66.1 | 0 | 0 | 0 | 0 | 109 | F173 E177 C178 L179 | F173-S175 VanDerWaalsContact C-N 3.31Å; F173-S175 PolarHBondContact O-N 2.9Å; S175-E177 VanDerWaalsContact C-N 3.25Å; S175-E177 PolarHBondContact O-N 3.19Å; S175-E177 PolarHBondContact OG-N 3.22Å; S175-C178 VanDerWaalsContact O-CB 3.3Å; S175-C178 WeakPolarHBondContact O-CB 3.37Å; S175-C178 PolarHBondContact O-N 3.39Å; S175-C178 VanDerWaalsContact O-N 3.16Å; S175-C178 PolarHBondContact OG-N 2.98Å; S175-C178 VanDerWaalsContact OG-N 3.12Å; S175-L179 PolarHBondContact O-N 3.16Å; S175-L179 VanDerWaalsContact O-N 3.17Å |
| 176 | T | 83.9 | Confident | 81.5 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 170.7 | -44.1 | 0 | 0 | 0 | 0 | 112.1 | C178 L179 I180 | T176-C178 VanDerWaalsContact C-N 3.32Å; T176-C178 PolarHBondContact O-N 3.01Å; T176-L179 WeakPolarHBondContact O-CB 3.42Å; T176-L179 PolarHBondContact O-N 3.19Å; T176-I180 HydrophobicContact CG2-CD1 3.96Å; T176-I180 HydrophobicContact CG2-CG1 4.41Å; T176-I180 VanDerWaalsContact O-CG1 3.3Å; T176-I180 WeakPolarHBondContact O-CG1 3.46Å; T176-I180 PolarHBondContact O-N 2.82Å |
| 177 | E | 85.3 | Confident | 82.3 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 175.1 | -62 | -60.6 | 139.3 | 0 | 0 | 112.3 | S175 R181 | S175-E177 VanDerWaalsContact C-N 3.25Å; S175-E177 PolarHBondContact O-N 3.19Å; S175-E177 PolarHBondContact OG-N 3.22Å; E177-R181 WeakPolarHBondContact O-CB 3.38Å; E177-R181 PolarHBondContact O-N 3.12Å |
| 178 | C | 84.1 | Confident | 82.6 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176 | -84.2 | 0 | 0 | 0 | 0 | 110.6 | C156 C158 F173 C174 S175 T176 T182 | C156-C178 WeakPolarHBondContact SG-CB 3.47Å; C156-C178 PolarHBondContact SG-SG 3.05Å; C158-C178 VanDerWaalsContact CB-SG 3.51Å; C158-C178 PolarHBondContact SG-SG 2.99Å; F173-C178 HydrophobicContact CB-CB 4.27Å; C174-C178 HydrophobicContact CB-CB 4.23Å; C174-C178 WeakPolarHBondContact CB-SG 3.35Å; C174-C178 WeakPolarHBondContact SG-CB 3.24Å; C174-C178 CovalentContact SG-SG 2.11Å; C174-C178 PolarHBondContact SG-SG 3.1Å; S175-C178 VanDerWaalsContact O-CB 3.3Å; S175-C178 WeakPolarHBondContact O-CB 3.37Å; S175-C178 PolarHBondContact O-N 3.39Å; S175-C178 VanDerWaalsContact O-N 3.16Å; S175-C178 PolarHBondContact OG-N 2.98Å; S175-C178 VanDerWaalsContact OG-N 3.12Å; T176-C178 VanDerWaalsContact C-N 3.32Å; T176-C178 PolarHBondContact O-N 3.01Å; C178-T182 PolarHBondContact O-N 3.11Å; C178-T182 PolarHBondContact O-OG1 2.73Å; C178-T182 VanDerWaalsContact O-OG1 3.07Å |
| 179 | L | 85.7 | Confident | 82.7 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 175.5 | 171.9 | 64.4 | 0 | 0 | 0 | 112.1 | L169 F173 S175 T176 R181 T182 C183 | L169-L179 HydrophobicContact CD2-CB 4.17Å; L169-L179 HydrophobicContact CD2-CD2 3.89Å; F173-L179 HydrophobicContact CB-CB 4.23Å; F173-L179 HydrophobicContact CD1-CB 4.16Å; F173-L179 HydrophobicContact CD1-CD1 4.5Å; F173-L179 HydrophobicContact CD2-CB 4.14Å; F173-L179 HydrophobicContact CD2-CD1 3.77Å; F173-L179 HydrophobicContact CD2-CG 4.48Å; F173-L179 HydrophobicContact CE1-CD1 4.25Å; F173-L179 HydrophobicContact CE2-CD1 3.48Å; F173-L179 VanDerWaalsContact CE2-CD1 3.48Å; F173-L179 HydrophobicContact CG-CB 3.9Å; F173-L179 HydrophobicContact CG-CD1 4.27Å; F173-L179 HydrophobicContact CZ-CD1 3.75Å; S175-L179 PolarHBondContact O-N 3.16Å; S175-L179 VanDerWaalsContact O-N 3.17Å; T176-L179 WeakPolarHBondContact O-CB 3.42Å; T176-L179 PolarHBondContact O-N 3.19Å; L179-R181 VanDerWaalsContact C-N 3.32Å; L179-R181 PolarHBondContact O-N 2.89Å; L179-T182 PolarHBondContact O-N 2.86Å; L179-T182 VanDerWaalsContact O-N 3.09Å; L179-C183 PolarHBondContact O-N 3.34Å; L179-C183 PolarHBondContact O-SG 2.91Å; L179-C183 VanDerWaalsContact O-SG 3.39Å |
| 180 | I | 87.7 | Confident | 83.1 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.7 | -47.9 | -178.7 | -70.9 | 165.8 | 0 | 0 | 0 | 110.5 | T176 T182 C183 H184 | T176-I180 HydrophobicContact CG2-CD1 3.96Å; T176-I180 HydrophobicContact CG2-CG1 4.41Å; T176-I180 VanDerWaalsContact O-CG1 3.3Å; T176-I180 WeakPolarHBondContact O-CG1 3.46Å; T176-I180 PolarHBondContact O-N 2.82Å; I180-T182 VanDerWaalsContact C-N 3.31Å; I180-T182 PolarHBondContact O-N 3.43Å; I180-C183 WeakPolarHBondContact O-CB 3.42Å; I180-C183 PolarHBondContact O-N 3.16Å; I180-C183 VanDerWaalsContact O-N 3.15Å; I180-H184 PolarHBondContact O-CD2 3.36Å; I180-H184 PolarHBondContact O-N 2.87Å |
| 181 | R | 85.6 | Confident | 83.5 | Confident | 109 Ų | 109 | 67.1 Ų | 67.1 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 178.4 | -178.4 | 169.6 | 58.2 | 153 | 4.5 | 112.1 | P157 E177 L179 H184 E185 | P157-R181 PolarHBondContact O-NH2 3.32Å; E177-R181 WeakPolarHBondContact O-CB 3.38Å; E177-R181 PolarHBondContact O-N 3.12Å; L179-R181 VanDerWaalsContact C-N 3.32Å; L179-R181 PolarHBondContact O-N 2.89Å; R181-H184 WeakPolarHBondContact O-CB 3.48Å; R181-H184 PolarHBondContact O-N 2.9Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 3.25Å |
| 182 | T | 84.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 178.7 | -50 | 0 | 0 | 0 | 0 | 112.4 | F152 P154 P157 F173 C178 L179 I180 E185 A186 | F152-T182 HydrophobicContact CE1-CG2 4.17Å; P154-T182 HydrophobicContact CB-CG2 3.13Å; P157-T182 WeakPolarHBondContact CD-OG1 3.4Å; F173-T182 HydrophobicContact CE1-CG2 4.26Å; C178-T182 PolarHBondContact O-N 3.11Å; C178-T182 PolarHBondContact O-OG1 2.73Å; C178-T182 VanDerWaalsContact O-OG1 3.07Å; L179-T182 PolarHBondContact O-N 2.86Å; L179-T182 VanDerWaalsContact O-N 3.09Å; I180-T182 VanDerWaalsContact C-N 3.31Å; I180-T182 PolarHBondContact O-N 3.43Å; T182-E185 PolarHBondContact O-N 3Å; T182-A186 WeakPolarHBondContact O-CB 3.36Å; T182-A186 PolarHBondContact O-N 3.09Å |
| 183 | C | 88.5 | Confident | 83.9 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 49% | 0.493 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 170.9 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | L179 I180 A186 F187 | L179-C183 PolarHBondContact O-N 3.34Å; L179-C183 PolarHBondContact O-SG 2.91Å; L179-C183 VanDerWaalsContact O-SG 3.39Å; I180-C183 WeakPolarHBondContact O-CB 3.42Å; I180-C183 PolarHBondContact O-N 3.16Å; I180-C183 VanDerWaalsContact O-N 3.15Å; C183-A186 PolarHBondContact O-N 3.32Å; C183-F187 WeakPolarHBondContact O-CB 3.44Å; C183-F187 PolarHBondContact O-N 3.41Å |
| 184 | H | 88.4 | Confident | 83.5 | Confident | 117 Ų | 117 | 76.9 Ų | 76.9 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 174 | -81.8 | -79.9 | 0 | 0 | 0 | 111.8 | I180 R181 A186 F187 D188 | I180-H184 PolarHBondContact O-CD2 3.36Å; I180-H184 PolarHBondContact O-N 2.87Å; R181-H184 WeakPolarHBondContact O-CB 3.48Å; R181-H184 PolarHBondContact O-N 2.9Å; H184-A186 VanDerWaalsContact C-N 3.35Å; H184-A186 PolarHBondContact O-N 3.29Å; H184-F187 PolarHBondContact O-N 2.81Å; H184-D188 PolarHBondContact O-N 3.41Å |
| 185 | E | 85.1 | Confident | 82.5 | Confident | 78 Ų | 78 | 82.7 Ų | 82.7 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.9 | -72.1 | 174.2 | -167.3 | 0 | 0 | 112.7 | R181 T182 R189 | R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 3.25Å; T182-E185 PolarHBondContact O-N 3Å; E185-R189 WeakPolarHBondContact O-CB 3.34Å; E185-R189 PolarHBondContact O-N 3.44Å |
| 186 | A | 84.7 | Confident | 81.1 | Confident | 38 Ų | 38 | 86 Ų | 86 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F152 T182 C183 H184 R189 W190 | F152-A186 HydrophobicContact CD1-CB 4.28Å; F152-A186 HydrophobicContact CE1-CB 4.24Å; T182-A186 WeakPolarHBondContact O-CB 3.36Å; T182-A186 PolarHBondContact O-N 3.09Å; C183-A186 PolarHBondContact O-N 3.32Å; H184-A186 VanDerWaalsContact C-N 3.35Å; H184-A186 PolarHBondContact O-N 3.29Å; A186-R189 PolarHBondContact O-N 2.81Å; A186-W190 WeakPolarHBondContact O-CB 3.17Å; A186-W190 PolarHBondContact O-N 2.77Å |
| 187 | F | 87.1 | Confident | 79.7 | Confident | 111 Ų | 111 | 88.7 Ų | 88.7 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -45 | 176.3 | -175.4 | -105 | 0 | 0 | 0 | 111.9 | C183 H184 R189 W190 L191 | C183-F187 WeakPolarHBondContact O-CB 3.44Å; C183-F187 PolarHBondContact O-N 3.41Å; H184-F187 PolarHBondContact O-N 2.81Å; F187-R189 VanDerWaalsContact C-N 3.27Å; F187-R189 PolarHBondContact O-N 2.88Å; F187-W190 HydrophobicContact CD2-CE3 4.19Å; F187-W190 AromaticContact CE2-CE3 3.95Å; F187-W190 HydrophobicContact CE2-CE3 3.95Å; F187-W190 HydrophobicContact CE2-CZ3 4.01Å; F187-W190 WeakPolarHBondContact O-CB 3.49Å; F187-W190 PolarHBondContact O-N 3.38Å; F187-L191 HydrophobicContact CD1-CD1 3.8Å; F187-L191 HydrophobicContact CD1-CG 4.19Å; F187-L191 HydrophobicContact CE1-CD1 3.39Å; F187-L191 HydrophobicContact CE1-CD2 4.33Å; F187-L191 HydrophobicContact CE1-CG 3.88Å; F187-L191 HydrophobicContact CZ-CD1 4.02Å; F187-L191 HydrophobicContact CZ-CD2 4.11Å; F187-L191 HydrophobicContact CZ-CG 4.08Å; F187-L191 WeakPolarHBondContact O-CG 3.12Å; F187-L191 PolarHBondContact O-N 3.2Å |
| 188 | D | 82.9 | Confident | 77.9 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 176.4 | -73.2 | -20 | 0 | 0 | 0 | 112 | H184 R192 | H184-D188 PolarHBondContact O-N 3.41Å; D188-R192 WeakPolarHBondContact O-CG 3.36Å; D188-R192 PolarHBondContact O-N 3.32Å; D188-R192 PolarHBondContact O-NH1 3.41Å |
| 189 | R | 79.9 | Confident | 76.4 | Confident | 90 Ų | 90 | 97.6 Ų | 97.6 | 34% | 0.34 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 175.7 | -168.5 | 176.6 | -121 | -116.6 | 1 | 111.3 | E185 A186 F187 R192 N193 | E185-R189 WeakPolarHBondContact O-CB 3.34Å; E185-R189 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-N 2.81Å; F187-R189 VanDerWaalsContact C-N 3.27Å; F187-R189 PolarHBondContact O-N 2.88Å; R189-R192 PolarHBondContact O-N 3.16Å; R189-N193 WeakPolarHBondContact O-CB 3.1Å; R189-N193 PolarHBondContact O-N 3.38Å; R189-N193 PolarHBondContact O-OD1 3.41Å |
| 190 | W | 84.8 | Confident | 74.5 | Confident | 134 Ų | 134 | 103.4 Ų | 103.4 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 172.7 | 178.7 | 82 | 0 | 0 | 0 | 110.9 | A186 F187 R192 N193 H194 | A186-W190 WeakPolarHBondContact O-CB 3.17Å; A186-W190 PolarHBondContact O-N 2.77Å; F187-W190 HydrophobicContact CD2-CE3 4.19Å; F187-W190 AromaticContact CE2-CE3 3.95Å; F187-W190 HydrophobicContact CE2-CE3 3.95Å; F187-W190 HydrophobicContact CE2-CZ3 4.01Å; F187-W190 WeakPolarHBondContact O-CB 3.49Å; F187-W190 PolarHBondContact O-N 3.38Å; W190-R192 PolarHBondContact O-N 3Å; W190-N193 PolarHBondContact O-N 2.96Å; W190-N193 VanDerWaalsContact O-N 3.16Å; W190-H194 AromaticContact CD1-CD2 3.29Å; W190-H194 AromaticContact CD1-NE2 3.44Å; W190-H194 AromaticContact CD2-CD2 3.91Å; W190-H194 AromaticContact CE2-CD2 3.51Å; W190-H194 AromaticContact CE2-NE2 3.99Å; W190-H194 AromaticContact CG-CD2 3.78Å; W190-H194 AromaticContact NE1-CD2 3.1Å; W190-H194 PolarHBondContact NE1-CD2 3.41Å; W190-H194 AromaticContact NE1-NE2 3.16Å; W190-H194 PolarHBondContact NE1-NE2 3.21Å; W190-H194 VanDerWaalsContact NE1-NE2 3.16Å; W190-H194 PolarHBondContact O-CD2 3.37Å; W190-H194 PolarHBondContact O-N 3.47Å |
| 191 | L | 81.4 | Confident | 72.5 | Confident | 45 Ų | 45 | 105.1 Ų | 105.1 | 24% | 0.236 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -55.1 | -50.8 | 174.5 | -75.5 | -179.1 | 0 | 0 | 0 | 111.3 | F187 N193 H194 H195 | F187-L191 HydrophobicContact CD1-CD1 3.8Å; F187-L191 HydrophobicContact CD1-CG 4.19Å; F187-L191 HydrophobicContact CE1-CD1 3.39Å; F187-L191 HydrophobicContact CE1-CD2 4.33Å; F187-L191 HydrophobicContact CE1-CG 3.88Å; F187-L191 HydrophobicContact CZ-CD1 4.02Å; F187-L191 HydrophobicContact CZ-CD2 4.11Å; F187-L191 HydrophobicContact CZ-CG 4.08Å; F187-L191 WeakPolarHBondContact O-CG 3.12Å; F187-L191 PolarHBondContact O-N 3.2Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.11Å; L191-H194 PolarHBondContact O-N 3.24Å; L191-H195 WeakPolarHBondContact O-CB 3.22Å; L191-H195 PolarHBondContact O-CD2 2.97Å; L191-H195 PolarHBondContact O-N 3.31Å |
| 192 | R | 78.8 | Confident | 70.6 | Confident | 146 Ų | 146 | 107.7 Ų | 107.7 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | 178.5 | -74.7 | -172.9 | -60.3 | -87.9 | -1 | 113 | D188 R189 W190 C196 | D188-R192 WeakPolarHBondContact O-CG 3.36Å; D188-R192 PolarHBondContact O-N 3.32Å; D188-R192 PolarHBondContact O-NH1 3.41Å; R189-R192 PolarHBondContact O-N 3.16Å; W190-R192 PolarHBondContact O-N 3Å; R192-C196 PolarHBondContact O-SG 3.27Å |
| 193 | N | 78.1 | Confident | 68.4 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.3 | -33.8 | 179.7 | -69.1 | -7.6 | 0 | 0 | 0 | 112.5 | R189 W190 L191 | R189-N193 WeakPolarHBondContact O-CB 3.1Å; R189-N193 PolarHBondContact O-N 3.38Å; R189-N193 PolarHBondContact O-OD1 3.41Å; W190-N193 PolarHBondContact O-N 2.96Å; W190-N193 VanDerWaalsContact O-N 3.16Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.11Å |
| 194 | H | 72.1 | Confident | 67.4 | Low | 92 Ų | 92 | 121.2 Ų | 121.2 | 43% | 0.426 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -94.8 | -18.6 | -177.8 | -70.7 | -74.4 | 0 | 0 | 0 | 114.1 | W190 L191 C196 I197 | W190-H194 AromaticContact CD1-CD2 3.29Å; W190-H194 AromaticContact CD1-NE2 3.44Å; W190-H194 AromaticContact CD2-CD2 3.91Å; W190-H194 AromaticContact CE2-CD2 3.51Å; W190-H194 AromaticContact CE2-NE2 3.99Å; W190-H194 AromaticContact CG-CD2 3.78Å; W190-H194 AromaticContact NE1-CD2 3.1Å; W190-H194 PolarHBondContact NE1-CD2 3.41Å; W190-H194 AromaticContact NE1-NE2 3.16Å; W190-H194 PolarHBondContact NE1-NE2 3.21Å; W190-H194 VanDerWaalsContact NE1-NE2 3.16Å; W190-H194 PolarHBondContact O-CD2 3.37Å; W190-H194 PolarHBondContact O-N 3.47Å; L191-H194 PolarHBondContact O-N 3.24Å; H194-C196 PolarHBondContact O-N 2.95Å; H194-I197 PolarHBondContact O-N 3.45Å |
| 195 | H | 61.3 | Low | 66.3 | Low | 140 Ų | 140 | 121.4 Ų | 121.4 | 65% | 0.648 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -1.1 | 173.4 | -81.7 | -70.7 | 0 | 0 | 0 | 114 | L191 I197 | L191-H195 WeakPolarHBondContact O-CB 3.22Å; L191-H195 PolarHBondContact O-CD2 2.97Å; L191-H195 PolarHBondContact O-N 3.31Å; H195-I197 PolarHBondContact O-N 3.44Å |
| 196 | C | 53.3 | Low | 65.2 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -0.7 | 165.6 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | R192 H194 | R192-C196 PolarHBondContact O-SG 3.27Å; H194-C196 PolarHBondContact O-N 2.95Å |
| 197 | I | 53.5 | Low | 64.1 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 65% | 0.646 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -106.9 | 73.3 | 179.7 | -47.1 | 173.1 | 0 | 0 | 0 | 109.4 | H194 H195 | H194-I197 PolarHBondContact O-N 3.45Å; H195-I197 PolarHBondContact O-N 3.44Å |
| 198 | K | 48.6 | Very low | 62.6 | Low | 183 Ų | 183 | 130 Ų | 130 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 165.6 | 90.9 | 158.3 | -95.4 | 159 | -176.7 | -176.8 | 0 | 107.6 | ||
| 199 | N | 51.8 | Low | 61.3 | Low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -173 | -7.3 | 152.7 | -86.4 | -19.3 | 0 | 0 | 0 | 113.3 | ||
| 200 | D | 46.4 | Very low | 59.9 | Low | 172 Ų | 172 | 136.9 Ų | 136.9 | 92% | 0.92 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -105.5 | 30.3 | -178.9 | -73.6 | -23.5 | 0 | 0 | 0 | 115.4 | ||
| 201 | S | 45.2 | Very low | 58 | Low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -145 | 64.4 | 173.6 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 202 | I | 45.9 | Very low | 56.1 | Low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -115.6 | 106.3 | 156 | -61.5 | 175.4 | 0 | 0 | 0 | 105.3 | ||||
| 203 | I | 38 | Very low | 54 | Low | 237 Ų | 237 | 144.6 Ų | 144.6 | 100% | 1.215 | 76% | 0.761 | S | S | * | * | trans | -78.6 | 0 | 160.2 | -63.7 | 172.9 | 0 | 0 | 0 | 107.2 |
Retrieved 203 of 203 residues in 30.8 ms
(Link to these results)