| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.4 | Very low | 47.4 | Very low | 247 Ų | 247 | 163.6 Ų | 163.6 | 100% | 1.217 | 88% | 0.88 | S | S | * | * | 0 | 112.4 | 0 | -68 | -166.5 | 173.4 | 0 | 0 | 107.8 | |||||
| 2 | A | 37.6 | Very low | 48.7 | Very low | 109 Ų | 109 | 167.2 Ų | 167.2 | 90% | 0.901 | 88% | 0.881 | S | S | * | * | trans | -92.4 | 111.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G4 | A2-G4 PolarHBondContact O-N 3.09Š| ||
| 3 | E | 40.6 | Very low | 50.6 | Low | 200 Ų | 200 | 170 Ų | 170 | 94% | 0.935 | 88% | 0.881 | S | S | * | * | trans | -73.5 | 111 | 179.1 | -141 | 176.5 | 177.4 | 0 | 0 | 109.4 | D5 | E3-D5 PolarHBondContact O-N 2.85Š| ||
| 4 | G | 42.1 | Very low | 52.6 | Low | 66 Ų | 66 | 168.9 Ų | 168.9 | 68% | 0.68 | 87% | 0.87 | S | S | * | * | trans | -71.9 | 114.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2 K6 | A2-G4 PolarHBondContact O-N 3.09Å; G4-K6 PolarHBondContact O-N 3.3Å | ||
| 5 | D | 43.9 | Very low | 54.7 | Low | 160 Ų | 160 | 161.9 Ų | 161.9 | 86% | 0.856 | 86% | 0.855 | S | S | * | * | trans | -64.1 | 92.5 | 177.5 | -145.2 | -12.7 | 0 | 0 | 0 | 111.2 | E3 K7 | E3-D5 PolarHBondContact O-N 2.85Å; D5-K7 PolarHBondContact O-N 3.16Å | ||
| 6 | K | 48.2 | Very low | 56.7 | Low | 197 Ų | 197 | 158.5 Ų | 158.5 | 86% | 0.857 | 85% | 0.849 | S | S | * | * | trans | -69.5 | 89 | 176.3 | -78.1 | 179.7 | -179.2 | 170.3 | 0 | 109.8 | G4 K8 | G4-K6 PolarHBondContact O-N 3.3Å; K6-K8 PolarHBondContact O-N 3.21Å | ||
| 7 | K | 50.3 | Low | 58.6 | Low | 202 Ų | 202 | 153.5 Ų | 153.5 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -48.6 | 106 | 167.1 | -96.6 | 175.3 | 177.7 | 165 | 0 | 110.7 | D5 S9 | D5-K7 PolarHBondContact O-N 3.16Å; K7-S9 PolarHBondContact O-N 3.44Å; K7-S9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | K | 48.1 | Very low | 60.5 | Low | 207 Ų | 207 | 146.6 Ų | 146.6 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54 | 117.1 | 170.9 | -78.3 | 176.4 | 178.2 | 169.5 | 0 | 109.3 | K6 A10 | K6-K8 PolarHBondContact O-N 3.21Å; K8-A10 PolarHBondContact O-N 2.81Å |
| 9 | S | 55.2 | Low | 62.3 | Low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 127.2 | 176.2 | 70.2 | 0 | 0 | 0 | 0 | 110.1 | K7 K11 | K7-S9 PolarHBondContact O-N 3.44Å; K7-S9 VanDerWaalsContact O-N 3.12Å; S9-K11 PolarHBondContact O-N 2.91Å; S9-K11 VanDerWaalsContact O-N 3.16Å |
| 10 | A | 61.2 | Low | 63.9 | Low | 92 Ų | 92 | 140.9 Ų | 140.9 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 120.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | K8 K12 | K8-A10 PolarHBondContact O-N 2.81Å; A10-K12 PolarHBondContact O-N 2.87Å |
| 11 | K | 56 | Low | 65.4 | Low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | trans | -52.5 | 112.8 | 174.3 | -80.6 | -179.6 | 177.5 | 175.3 | 0 | 108.9 | S9 K13 | S9-K11 PolarHBondContact O-N 2.91Å; S9-K11 VanDerWaalsContact O-N 3.16Å; K11-K13 PolarHBondContact O-N 2.93Å; K11-K13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | K | 62.6 | Low | 68.1 | Low | 206 Ų | 206 | 131 Ų | 131 | 90% | 0.896 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 120.7 | 177.2 | -72.9 | -179.6 | 179.4 | 174.2 | 0 | 108.5 | A10 H14 | A10-K12 PolarHBondContact O-N 2.87Å; K12-H14 PolarHBondContact O-N 2.98Å |
| 13 | K | 73.3 | Confident | 70.7 | Confident | 204 Ų | 204 | 137.5 Ų | 137.5 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133 | 171.1 | -70.5 | -178.1 | 178.9 | 177.9 | 0 | 108.4 | K11 G15 | K11-K13 PolarHBondContact O-N 2.93Å; K11-K13 VanDerWaalsContact O-N 3.15Å; K13-G15 PolarHBondContact O-N 3.12Å |
| 14 | H | 79.6 | Confident | 73.2 | Confident | 155 Ų | 155 | 132 Ų | 132 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 128.7 | 177.9 | -93 | -60.5 | 0 | 0 | 0 | 110.7 | K12 R17 | K12-H14 PolarHBondContact O-N 2.98Å; H14-R17 PolarHBondContact CD2-NH2 3.32Å; H14-R17 PolarHBondContact NE2-NH2 2.91Å |
| 15 | G | 83.2 | Confident | 75.8 | Confident | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -70.6 | 177.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K13 R17 | K13-G15 PolarHBondContact O-N 3.12Å; G15-R17 PolarHBondContact O-N 2.97Å | ||
| 16 | S | 86.4 | Confident | 78.3 | Confident | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -59.2 | 127 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | N18 | S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact OG-N 3.48Å; S16-N18 PolarHBondContact OG-O 3.34Å | ||
| 17 | R | 89.1 | Confident | 80.6 | Confident | 74 Ų | 74 | 125.8 Ų | 125.8 | 28% | 0.279 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -84.1 | -1.4 | 174.9 | -61.8 | -176.7 | -177.5 | -170.8 | -1.3 | 113.2 | H14 G15 M33 R36 | H14-R17 PolarHBondContact CD2-NH2 3.32Å; H14-R17 PolarHBondContact NE2-NH2 2.91Å; G15-R17 PolarHBondContact O-N 2.97Å; R17-M33 HydrophobicContact CB-CE 4.06Å; R17-R36 PolarHBondContact NH1-O 3.36Å |
| 18 | N | 93.8 | Very high | 82.7 | Confident | 29 Ų | 29 | 119.2 Ų | 119.2 | 16% | 0.155 | 64% | 0.638 | C | S | . | * | S | Bend | trans | -116.3 | 108.8 | 174.6 | -157.5 | -7.3 | 0 | 0 | 0 | 109.6 | S16 R27 Y28 M33 | S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact OG-N 3.48Å; S16-N18 PolarHBondContact OG-O 3.34Å; N18-R27 PolarHBondContact OD1-N 3.49Å; N18-Y28 PolarHBondContact ND2-O 2.96Å; N18-Y28 WeakPolarHBondContact OD1-CD2 3.45Å; N18-Y28 PolarHBondContact OD1-N 3.43Å; N18-M33 HydrophobicContact CB-CE 3.89Å; N18-M33 HydrophobicContact CB-CG 4.3Å; N18-M33 HydrophobicContact CB-SD 3.6Å; N18-M33 VanDerWaalsContact CB-SD 3.6Å |
| 19 | P | 94 | Very high | 85 | Confident | 65 Ų | 65 | 112.7 Ų | 112.7 | 42% | 0.422 | 62% | 0.619 | S | S | . | * | trans | -66.7 | 152.8 | 172.7 | 28.5 | -30.7 | 0 | 0 | 0 | 110.2 | R27 Y28 | P19-R27 HydrophobicContact CG-CB 3.83Å; P19-R27 HydrophobicContact CG-CG 4.47Å; P19-R27 WeakPolarHBondContact O-CB 3.4Å; P19-R27 PolarHBondContact O-N 3.05Å; P19-Y28 VanDerWaalsContact CD-CE2 3.49Å; P19-Y28 HydrophobicContact CG-CE2 4.08Å | ||
| 20 | V | 94.8 | Very high | 86.9 | Confident | 113 Ų | 113 | 118.5 Ų | 118.5 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 127 | -177.5 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | A22 | V20-A22 WeakPolarHBondContact CG1-O 3.43Å |
| 21 | L | 94.6 | Very high | 88.6 | Confident | 132 Ų | 132 | 118.4 Ų | 118.4 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | -50.3 | 171.9 | -177.3 | 69.8 | 0 | 0 | 0 | 110 | I25 | L21-I25 PolarHBondContact N-O 3.2Å |
| 22 | A | 94.7 | Very high | 90.4 | Very high | 48 Ų | 48 | 110.1 Ų | 110.1 | 40% | 0.397 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.5 | 167.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V20 G24 I25 | V20-A22 WeakPolarHBondContact CG1-O 3.43Å; A22-G24 PolarHBondContact O-N 3.05Å; A22-I25 PolarHBondContact N-O 3.18Å; A22-I25 PolarHBondContact O-N 3.12Å |
| 23 | R | 93.4 | Very high | 92 | Very high | 247 Ų | 247 | 101.8 Ų | 101.8 | 93% | 0.932 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 113.6 | -179.1 | -178.6 | -178.2 | 174.9 | -171 | -5.3 | 110.4 | ||
| 24 | G | 93.8 | Very high | 92.9 | Very high | 85 Ų | 85 | 97.6 Ų | 97.6 | 88% | 0.876 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -7.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A22 | A22-G24 PolarHBondContact O-N 3.05Š|
| 25 | I | 95.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 92.8 Ų | 92.8 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.9 | -176.1 | -54.2 | 176.9 | 0 | 0 | 0 | 109.4 | L21 A22 | L21-I25 PolarHBondContact N-O 3.2Å; A22-I25 PolarHBondContact N-O 3.18Å; A22-I25 PolarHBondContact O-N 3.12Å |
| 26 | G | 95.8 | Very high | 94 | Very high | 33 Ų | 33 | 95.8 Ų | 95.8 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 154.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 27 | R | 96.1 | Very high | 94.2 | Very high | 157 Ų | 157 | 96.8 Ų | 96.8 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -65.4 | -40.8 | 178.8 | -173.4 | -179.1 | -172.2 | -91.1 | -0.5 | 112.9 | N18 P19 | N18-R27 PolarHBondContact OD1-N 3.49Å; P19-R27 HydrophobicContact CG-CB 3.83Å; P19-R27 HydrophobicContact CG-CG 4.47Å; P19-R27 WeakPolarHBondContact O-CB 3.4Å; P19-R27 PolarHBondContact O-N 3.05Å |
| 28 | Y | 96.4 | Very high | 94.3 | Very high | 65 Ų | 65 | 94.4 Ų | 94.4 | 26% | 0.255 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -95.5 | 141.5 | -176.5 | -60.4 | -65.4 | 0 | 0 | 0 | 111.8 | N18 P19 M33 | N18-Y28 PolarHBondContact ND2-O 2.96Å; N18-Y28 WeakPolarHBondContact OD1-CD2 3.45Å; N18-Y28 PolarHBondContact OD1-N 3.43Å; P19-Y28 VanDerWaalsContact CD-CE2 3.49Å; P19-Y28 HydrophobicContact CG-CE2 4.08Å; Y28-M33 HydrophobicContact CD2-SD 4.26Å |
| 29 | S | 95.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | trans | -67.8 | 170.1 | 172.7 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | S31 M33 | S29-S31 PolarHBondContact O-N 3.12Å; S29-S31 PolarHBondContact OG-OG 3.29Å; S29-M33 WeakPolarHBondContact O-CB 3.37Å; S29-M33 WeakPolarHBondContact O-CG 3.2Å; S29-M33 PolarHBondContact O-N 3.22Å | ||
| 30 | R | 94.8 | Very high | 93.8 | Very high | 236 Ų | 236 | 98.4 Ų | 98.4 | 89% | 0.891 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -43 | -178.1 | -172.1 | 175.1 | 177.9 | 175.1 | -1.9 | 112.8 | M33 Y34 | R30-M33 PolarHBondContact O-N 3.39Å; R30-Y34 WeakPolarHBondContact O-CB 3.48Å; R30-Y34 PolarHBondContact O-N 3.34Å |
| 31 | S | 95.8 | Very high | 93.6 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -46.4 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | S29 M33 Y34 A35 | S29-S31 PolarHBondContact O-N 3.12Å; S29-S31 PolarHBondContact OG-OG 3.29Å; S31-M33 VanDerWaalsContact C-N 3.3Å; S31-M33 PolarHBondContact O-N 3.36Å; S31-Y34 WeakPolarHBondContact O-CB 3.46Å; S31-Y34 PolarHBondContact O-N 3.07Å; S31-Y34 VanDerWaalsContact O-N 3.12Å; S31-A35 PolarHBondContact O-N 2.87Å |
| 32 | A | 95.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 101.5 Ų | 101.5 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y34 A35 R36 | A32-Y34 PolarHBondContact O-N 3.41Å; A32-A35 PolarHBondContact O-N 2.87Å; A32-R36 WeakPolarHBondContact O-CB 3.4Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 3.05Å |
| 33 | M | 94.9 | Very high | 92.4 | Very high | 30 Ų | 30 | 106.7 Ų | 106.7 | 15% | 0.148 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 176.1 | -81.1 | -60.6 | -62.1 | 0 | 0 | 113.6 | R17 N18 Y28 S29 R30 S31 R37 | R17-M33 HydrophobicContact CB-CE 4.06Å; N18-M33 HydrophobicContact CB-CE 3.89Å; N18-M33 HydrophobicContact CB-CG 4.3Å; N18-M33 HydrophobicContact CB-SD 3.6Å; N18-M33 VanDerWaalsContact CB-SD 3.6Å; Y28-M33 HydrophobicContact CD2-SD 4.26Å; S29-M33 WeakPolarHBondContact O-CB 3.37Å; S29-M33 WeakPolarHBondContact O-CG 3.2Å; S29-M33 PolarHBondContact O-N 3.22Å; R30-M33 PolarHBondContact O-N 3.39Å; S31-M33 VanDerWaalsContact C-N 3.3Å; S31-M33 PolarHBondContact O-N 3.36Å; M33-R37 HydrophobicContact CE-CG 4.14Å; M33-R37 VanDerWaalsContact O-CB 3.27Å; M33-R37 WeakPolarHBondContact O-CB 3.49Å; M33-R37 VanDerWaalsContact O-CG 3.28Å; M33-R37 WeakPolarHBondContact O-CG 3.48Å; M33-R37 PolarHBondContact O-N 2.93Å |
| 34 | Y | 93.3 | Very high | 91.5 | Very high | 116 Ų | 116 | 100 Ų | 100 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 174.8 | 178.7 | -91.9 | 0 | 0 | 0 | 111.2 | R30 S31 A32 R37 A38 M39 Y40 | R30-Y34 WeakPolarHBondContact O-CB 3.48Å; R30-Y34 PolarHBondContact O-N 3.34Å; S31-Y34 WeakPolarHBondContact O-CB 3.46Å; S31-Y34 PolarHBondContact O-N 3.07Å; S31-Y34 VanDerWaalsContact O-N 3.12Å; A32-Y34 PolarHBondContact O-N 3.41Å; Y34-R37 PolarHBondContact O-N 3.48Å; Y34-A38 PolarHBondContact O-N 2.86Å; Y34-M39 HydrophobicContact CD2-CB 3.49Å; Y34-M39 VanDerWaalsContact CD2-CB 3.49Å; Y34-M39 HydrophobicContact CD2-CG 4.11Å; Y34-M39 HydrophobicContact CE2-CB 3.38Å; Y34-M39 HydrophobicContact CE2-CG 4.39Å; Y34-M39 HydrophobicContact CG-CB 4.11Å; Y34-M39 PolarHBondContact O-N 3.46Å; Y34-M39 VanDerWaalsContact O-N 3.13Å; Y34-Y40 WeakPolarHBondContact OH-CA 3.29Å |
| 35 | A | 93.6 | Very high | 90.3 | Very high | 54 Ų | 54 | 105.3 Ų | 105.3 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S31 A32 R37 A38 | S31-A35 PolarHBondContact O-N 2.87Å; A32-A35 PolarHBondContact O-N 2.87Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.06Å; A35-A38 WeakPolarHBondContact O-CA 3.06Å; A35-A38 PolarHBondContact O-N 2.95Å |
| 36 | R | 91.3 | Very high | 88.5 | Confident | 126 Ų | 126 | 106.6 Ų | 106.6 | 48% | 0.475 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -29.1 | 178.6 | -70.3 | 173.3 | 75.3 | 81.4 | 2.8 | 113.9 | R17 A32 | R17-R36 PolarHBondContact NH1-O 3.36Å; A32-R36 WeakPolarHBondContact O-CB 3.4Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 3.05Å |
| 37 | R | 90.6 | Very high | 86.6 | Confident | 129 Ų | 129 | 109.4 Ų | 109.4 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.6 | 172.9 | -73.3 | 179.8 | 69.7 | 178.2 | 1.5 | 112.6 | M33 Y34 A35 M39 | M33-R37 HydrophobicContact CE-CG 4.14Å; M33-R37 VanDerWaalsContact O-CB 3.27Å; M33-R37 WeakPolarHBondContact O-CB 3.49Å; M33-R37 VanDerWaalsContact O-CG 3.28Å; M33-R37 WeakPolarHBondContact O-CG 3.48Å; M33-R37 PolarHBondContact O-N 2.93Å; Y34-R37 PolarHBondContact O-N 3.48Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.06Å; R37-M39 HydrophobicContact CB-CG 3.69Å; R37-M39 HydrophobicContact CB-SD 4.22Å; R37-M39 PolarHBondContact O-N 3.29Å |
| 38 | A | 91.9 | Very high | 84.7 | Confident | 24 Ų | 24 | 110.1 Ų | 110.1 | 20% | 0.198 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y34 A35 Y40 K41 R42 | Y34-A38 PolarHBondContact O-N 2.86Å; A35-A38 WeakPolarHBondContact O-CA 3.06Å; A35-A38 PolarHBondContact O-N 2.95Å; A38-Y40 HydrophobicContact CB-CE1 4.12Å; A38-Y40 PolarHBondContact O-N 3.11Å; A38-K41 PolarHBondContact O-N 3.23Å; A38-R42 WeakPolarHBondContact O-CG 3.43Å; A38-R42 PolarHBondContact O-N 3.11Å |
| 39 | M | 89.4 | Confident | 82.6 | Confident | 66 Ų | 66 | 114 Ų | 114 | 33% | 0.325 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.5 | -27.1 | -177.1 | -70.5 | -62.3 | -60.5 | 0 | 0 | 111.9 | Y34 R37 K41 R42 | Y34-M39 HydrophobicContact CD2-CB 3.49Å; Y34-M39 VanDerWaalsContact CD2-CB 3.49Å; Y34-M39 HydrophobicContact CD2-CG 4.11Å; Y34-M39 HydrophobicContact CE2-CB 3.38Å; Y34-M39 HydrophobicContact CE2-CG 4.39Å; Y34-M39 HydrophobicContact CG-CB 4.11Å; Y34-M39 PolarHBondContact O-N 3.46Å; Y34-M39 VanDerWaalsContact O-N 3.13Å; R37-M39 HydrophobicContact CB-CG 3.69Å; R37-M39 HydrophobicContact CB-SD 4.22Å; R37-M39 PolarHBondContact O-N 3.29Å; M39-K41 VanDerWaalsContact C-N 3.29Å; M39-K41 PolarHBondContact O-N 3.26Å; M39-R42 CarbonylContact O-C 3.55Å; M39-R42 PolarHBondContact O-N 2.97Å |
| 40 | Y | 88.4 | Confident | 80.7 | Confident | 113 Ų | 113 | 120 Ų | 120 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -32.1 | 174.7 | 64.1 | -85 | 0 | 0 | 0 | 113.6 | Y34 A38 | Y34-Y40 WeakPolarHBondContact OH-CA 3.29Å; A38-Y40 HydrophobicContact CB-CE1 4.12Å; A38-Y40 PolarHBondContact O-N 3.11Å |
| 41 | K | 90.2 | Very high | 78.7 | Confident | 160 Ų | 160 | 114 Ų | 114 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -28.9 | 173 | -71.3 | 175.7 | -178.1 | -172.6 | 0 | 112.3 | A38 M39 K43 | A38-K41 PolarHBondContact O-N 3.23Å; M39-K41 VanDerWaalsContact C-N 3.29Å; M39-K41 PolarHBondContact O-N 3.26Å; K41-K43 VanDerWaalsContact C-N 3.28Å; K41-K43 PolarHBondContact O-N 3.21Å |
| 42 | R | 83.4 | Confident | 77 | Confident | 149 Ų | 149 | 118.2 Ų | 118.2 | 56% | 0.562 | 58% | 0.576 | S | S | * | * | trans | -93.7 | 49.7 | -178.7 | -61.6 | 176.4 | 179.7 | -169 | -4.1 | 111.3 | A38 M39 S44 | A38-R42 WeakPolarHBondContact O-CG 3.43Å; A38-R42 PolarHBondContact O-N 3.11Å; M39-R42 CarbonylContact O-C 3.55Å; M39-R42 PolarHBondContact O-N 2.97Å; R42-S44 PolarHBondContact O-N 2.85Å | ||
| 43 | K | 79.8 | Confident | 75.3 | Confident | 157 Ų | 157 | 125.8 Ų | 125.8 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | trans | -72.5 | 114.1 | 167.4 | -64.3 | -178.2 | -176.9 | -178.7 | 0 | 106.5 | K41 K45 | K41-K43 VanDerWaalsContact C-N 3.28Å; K41-K43 PolarHBondContact O-N 3.21Å; K43-K45 PolarHBondContact O-N 3.41Å; K43-K45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | S | 75 | Confident | 73.5 | Confident | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | trans | -62.1 | 113.1 | 164.1 | 47.2 | 0 | 0 | 0 | 0 | 106.2 | R42 T46 | R42-S44 PolarHBondContact O-N 2.85Å; S44-T46 PolarHBondContact O-N 2.89Å | ||
| 45 | K | 67.8 | Low | 72.1 | Confident | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -55 | 111.9 | 160.4 | -73.2 | -175.1 | 177.8 | -175.2 | 0 | 104.6 | K43 T47 | K43-K45 PolarHBondContact O-N 3.41Å; K43-K45 VanDerWaalsContact O-N 3.09Å; K45-T47 PolarHBondContact O-N 2.97Å | ||
| 46 | T | 58.5 | Low | 70.8 | Confident | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -59.6 | 99.9 | 169.3 | -34.8 | 0 | 0 | 0 | 0 | 103.8 | S44 E48 | S44-T46 PolarHBondContact O-N 2.89Å; T46-E48 PolarHBondContact O-N 2.83Å | ||
| 47 | T | 56.9 | Low | 69.8 | Low | 92 Ų | 92 | 144.1 Ų | 144.1 | 56% | 0.564 | 69% | 0.685 | S | S | * | * | trans | -52.6 | 127.7 | 164.2 | 36.4 | 0 | 0 | 0 | 0 | 106 | K45 I51 | K45-T47 PolarHBondContact O-N 2.97Å; T47-I51 VanDerWaalsContact CB-CD1 3.41Å; T47-I51 HydrophobicContact CG2-CD1 3.81Å; T47-I51 WeakPolarHBondContact OG1-CD1 3.35Å | ||
| 48 | E | 56.4 | Low | 69.2 | Low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -37 | 145.6 | 178.3 | -65.8 | 162.3 | -175.4 | 0 | 0 | 110.9 | T46 K50 I51 | T46-E48 PolarHBondContact O-N 2.83Å; E48-K50 PolarHBondContact O-N 3.03Å; E48-I51 PolarHBondContact O-N 2.79Å | ||
| 49 | T | 52.1 | Low | 68.7 | Low | 147 Ų | 147 | 151.2 Ų | 151.2 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 19.9 | -168.3 | 37.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 50 | K | 54.9 | Low | 68.5 | Low | 196 Ų | 196 | 155.2 Ų | 155.2 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 42.5 | 174 | -75.4 | -176 | 175.5 | 177.2 | 0 | 113.2 | E48 E52 | E48-K50 PolarHBondContact O-N 3.03Å; K50-E52 VanDerWaalsContact C-N 3.3Å; K50-E52 PolarHBondContact O-N 3.16Å |
| 51 | I | 52.4 | Low | 68.4 | Low | 110 Ų | 110 | 153.4 Ų | 153.4 | 56% | 0.564 | 75% | 0.753 | S | S | * | * | trans | -69.5 | 102 | 148.9 | -63.8 | -172.1 | 0 | 0 | 0 | 105.7 | T47 E48 K53 | T47-I51 VanDerWaalsContact CB-CD1 3.41Å; T47-I51 HydrophobicContact CG2-CD1 3.81Å; T47-I51 WeakPolarHBondContact OG1-CD1 3.35Å; E48-I51 PolarHBondContact O-N 2.79Å; I51-K53 PolarHBondContact O-N 2.6Å | ||
| 52 | E | 60.7 | Low | 68.5 | Low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -40.7 | 116.9 | 166.2 | -67.2 | -176.8 | 163.2 | 0 | 0 | 107.7 | K50 K54 | K50-E52 VanDerWaalsContact C-N 3.3Å; K50-E52 PolarHBondContact O-N 3.16Å; E52-K54 PolarHBondContact O-N 2.88Å | ||
| 53 | K | 59.8 | Low | 68.9 | Low | 192 Ų | 192 | 144.6 Ų | 144.6 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | trans | -44.8 | 112.1 | 179.1 | -78.5 | 172.9 | 178.6 | 166.4 | 0 | 106.3 | I51 I55 | I51-K53 PolarHBondContact O-N 2.6Å; K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 WeakPolarHBondContact O-CG1 3.35Å; K53-I55 PolarHBondContact O-N 3.49Å | ||
| 54 | K | 56.7 | Low | 69.4 | Low | 199 Ų | 199 | 141.4 Ų | 141.4 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | trans | -48 | 105.9 | 170.7 | -91.7 | -173.8 | 175.4 | -178.5 | 0 | 105.8 | E52 K56 | E52-K54 PolarHBondContact O-N 2.88Å; K54-K56 VanDerWaalsContact C-N 3.28Å; K54-K56 PolarHBondContact O-N 2.96Å | ||
| 55 | I | 63.2 | Low | 70.1 | Confident | 159 Ų | 159 | 142.1 Ų | 142.1 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | trans | -65.8 | 101 | -174.8 | -60.7 | 173.3 | 0 | 0 | 0 | 103.2 | K53 E57 | K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 WeakPolarHBondContact O-CG1 3.35Å; K53-I55 PolarHBondContact O-N 3.49Å; I55-E57 PolarHBondContact O-N 3.22Å | ||
| 56 | K | 67.4 | Low | 71 | Confident | 192 Ų | 192 | 138.6 Ų | 138.6 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | -55.2 | 116.1 | 169.3 | -95.6 | -177.6 | 173.1 | 178.5 | 0 | 105.2 | K54 K58 | K54-K56 VanDerWaalsContact C-N 3.28Å; K54-K56 PolarHBondContact O-N 2.96Å; K56-K58 PolarHBondContact O-N 2.7Å | ||
| 57 | E | 71.3 | Confident | 72.2 | Confident | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | trans | -51.2 | 109.9 | 177.7 | -165.6 | -177.9 | 171.6 | 0 | 0 | 107.3 | I55 | I55-E57 PolarHBondContact O-N 3.22Š| ||
| 58 | K | 77.1 | Confident | 73.5 | Confident | 176 Ų | 176 | 133 Ų | 133 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.4 | 179.7 | -72.2 | 178.6 | -178.7 | 173.1 | 0 | 106.1 | K56 K60 | K56-K58 PolarHBondContact O-N 2.7Å; K58-K60 PolarHBondContact O-N 2.83Å; K58-K60 VanDerWaalsContact O-N 3.14Å |
| 59 | P | 80.4 | Confident | 74.7 | Confident | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127.3 | 175 | 23.1 | -32.3 | 0 | 0 | 0 | 108.8 | A61 | P59-A61 PolarHBondContact O-N 3.07Š|
| 60 | K | 85.4 | Confident | 76 | Confident | 150 Ų | 150 | 128.4 Ų | 128.4 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 123.5 | -176.4 | -65.8 | 179.8 | -179.4 | 178.9 | 0 | 109.3 | K58 T62 L80 | K58-K60 PolarHBondContact O-N 2.83Å; K58-K60 VanDerWaalsContact O-N 3.14Å; K60-T62 VanDerWaalsContact C-N 3.31Å; K60-L80 VanDerWaalsContact O-CD1 3.29Å; K60-L80 WeakPolarHBondContact O-CD1 3.18Å |
| 61 | A | 87.3 | Confident | 77.3 | Confident | 76 Ų | 76 | 129.6 Ų | 129.6 | 63% | 0.628 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -76.9 | -23.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P59 L80 | P59-A61 PolarHBondContact O-N 3.07Å; A61-L80 PolarHBondContact O-N 3.31Å; A61-L80 VanDerWaalsContact O-N 3.1Å |
| 62 | T | 91.1 | Very high | 78.5 | Confident | 63 Ų | 63 | 127.7 Ų | 127.7 | 39% | 0.387 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.6 | -176.1 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | K60 V77 V78 K79 | K60-T62 VanDerWaalsContact C-N 3.31Å; T62-V77 HydrophobicContact CG2-CG1 3.83Å; T62-V78 CarbonylContact C-O 3.46Å; T62-V78 VanDerWaalsContact CA-O 3.3Å; T62-V78 WeakPolarHBondContact CA-O 3.34Å; T62-K79 HydrophobicContact CG2-CG 4.13Å |
| 63 | V | 91.8 | Very high | 79.4 | Confident | 60 Ų | 60 | 122.7 Ų | 122.7 | 36% | 0.364 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.3 | 172.8 | 173.1 | 0 | 0 | 0 | 0 | 107.9 | K65 V78 L80 | V63-K65 HydrophobicContact CG1-CG 4.33Å; V63-K65 PolarHBondContact O-N 3.46Å; V63-V78 PolarHBondContact N-O 3.24Å; V63-V78 PolarHBondContact O-N 3.13Å; V63-L80 HydrophobicContact CB-CD2 4.41Å; V63-L80 HydrophobicContact CG2-CD1 4.13Å; V63-L80 HydrophobicContact CG2-CD2 3.56Å; V63-L80 HydrophobicContact CG2-CG 3.85Å |
| 64 | V | 91.5 | Very high | 80.5 | Confident | 91 Ų | 91 | 115.4 Ų | 115.4 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.3 | 169.5 | -175.2 | 0 | 0 | 0 | 0 | 107.1 | T75 R76 V77 | V64-T75 HydrophobicContact CG1-CG2 3.87Å; V64-R76 WeakPolarHBondContact CA-O 3.39Å; V64-V77 HydrophobicContact CG2-CG2 4.36Å |
| 65 | K | 88.8 | Confident | 82.1 | Confident | 120 Ų | 120 | 109.7 Ų | 109.7 | 52% | 0.522 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.9 | 173.7 | -68.1 | -168.9 | 175.3 | -170 | 0 | 108.5 | V63 T75 R76 V78 | V63-K65 HydrophobicContact CG1-CG 4.33Å; V63-K65 PolarHBondContact O-N 3.46Å; K65-T75 CarbonylContact O-C 3.5Å; K65-T75 VanDerWaalsContact O-CA 3.3Å; K65-T75 WeakPolarHBondContact O-CA 3.47Å; K65-R76 PolarHBondContact N-O 3.48Å; K65-R76 PolarHBondContact O-N 3.18Å; K65-V78 HydrophobicContact CB-CG2 4.43Å; K65-V78 HydrophobicContact CD-CB 4.34Å; K65-V78 HydrophobicContact CD-CG2 4.06Å; K65-V78 HydrophobicContact CG-CB 4.5Å; K65-V78 HydrophobicContact CG-CG2 4.24Å |
| 66 | T | 88.4 | Confident | 83.2 | Confident | 124 Ų | 124 | 109 Ų | 109 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 141.1 | 168.8 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | G74 T75 | T66-G74 CarbonylContact C-O 3.56Å; T66-G74 WeakPolarHBondContact CA-O 3.5Å; T66-T75 HydrophobicContact CG2-CG2 4.15Å |
| 67 | V | 83.3 | Confident | 84.3 | Confident | 38 Ų | 38 | 104.6 Ų | 104.6 | 23% | 0.23 | 60% | 0.604 | C | S | . | * | trans | -118.9 | 128.5 | 179.6 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | G74 R76 | V67-G74 PolarHBondContact N-O 3.17Å; V67-R76 HydrophobicContact CG2-CB 3.76Å; V67-R76 HydrophobicContact CG2-CG 3.56Å | ||
| 68 | G | 82.8 | Confident | 85.2 | Confident | 66 Ų | 66 | 99 Ų | 99 | 68% | 0.68 | 58% | 0.58 | S | S | * | * | trans | -79.4 | 156 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N72 | G68-N72 PolarHBondContact O-ND2 2.97Š| ||
| 69 | G | 82.7 | Confident | 86 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 110.5 | 135.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N72 | G69-N72 WeakPolarHBondContact O-CB 3.38Å; G69-N72 PolarHBondContact O-N 3.05Å |
| 70 | D | 79.1 | Confident | 86.5 | Confident | 165 Ų | 165 | 96.7 Ų | 96.7 | 88% | 0.882 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 137.9 | 176.7 | -64 | -29 | 0 | 0 | 0 | 110.1 | N72 | D70-N72 VanDerWaalsContact C-N 3.35Å; D70-N72 PolarHBondContact O-N 2.91Å |
| 71 | K | 81.7 | Confident | 86.8 | Confident | 221 Ų | 221 | 100.4 Ų | 100.4 | 96% | 0.961 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | 12.6 | -174.5 | -48.3 | 174.9 | -178.9 | 176.8 | 0 | 116.2 | ||
| 72 | N | 77.3 | Confident | 87 | Confident | 70 Ų | 70 | 105.5 Ų | 105.5 | 37% | 0.374 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -100.1 | 14.6 | -177.3 | -146.7 | -4 | 0 | 0 | 0 | 115 | G68 G69 D70 G74 | G68-N72 PolarHBondContact O-ND2 2.97Å; G69-N72 WeakPolarHBondContact O-CB 3.38Å; G69-N72 PolarHBondContact O-N 3.05Å; D70-N72 VanDerWaalsContact C-N 3.35Å; D70-N72 PolarHBondContact O-N 2.91Å; N72-G74 VanDerWaalsContact C-N 3.26Å; N72-G74 PolarHBondContact O-N 3.43Å |
| 73 | G | 80.1 | Confident | 87.2 | Confident | 73 Ų | 73 | 109 Ų | 109 | 75% | 0.753 | 59% | 0.594 | S | S | * | * | trans | 72.2 | 5.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | T75 | G73-T75 PolarHBondContact O-N 2.87Š| ||
| 74 | G | 82.9 | Confident | 87.4 | Confident | 38 Ų | 38 | 110.5 Ų | 110.5 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | S | Bend | trans | 72.5 | -36.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | T66 V67 N72 | T66-G74 CarbonylContact C-O 3.56Å; T66-G74 WeakPolarHBondContact CA-O 3.5Å; V67-G74 PolarHBondContact N-O 3.17Å; N72-G74 VanDerWaalsContact C-N 3.26Å; N72-G74 PolarHBondContact O-N 3.43Å |
| 75 | T | 90.3 | Very high | 87.6 | Confident | 79 Ų | 79 | 118.4 Ų | 118.4 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.5 | -179.8 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | V64 K65 T66 G73 | V64-T75 HydrophobicContact CG1-CG2 3.87Å; K65-T75 CarbonylContact O-C 3.5Å; K65-T75 VanDerWaalsContact O-CA 3.3Å; K65-T75 WeakPolarHBondContact O-CA 3.47Å; T66-T75 HydrophobicContact CG2-CG2 4.15Å; G73-T75 PolarHBondContact O-N 2.87Å |
| 76 | R | 86.8 | Confident | 88 | Confident | 144 Ų | 144 | 121.2 Ų | 121.2 | 54% | 0.543 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.5 | 137 | 171.6 | -76.8 | -176.7 | -169.2 | -166.9 | 1.6 | 111.1 | V64 K65 V67 V78 | V64-R76 WeakPolarHBondContact CA-O 3.39Å; K65-R76 PolarHBondContact N-O 3.48Å; K65-R76 PolarHBondContact O-N 3.18Å; V67-R76 HydrophobicContact CG2-CB 3.76Å; V67-R76 HydrophobicContact CG2-CG 3.56Å; R76-V78 PolarHBondContact O-N 3.33Å |
| 77 | V | 90.8 | Very high | 88.3 | Confident | 100 Ų | 100 | 122 Ų | 122 | 61% | 0.606 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 115.5 | 174.3 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | T62 V64 | T62-V77 HydrophobicContact CG2-CG1 3.83Å; V64-V77 HydrophobicContact CG2-CG2 4.36Å |
| 78 | V | 90.5 | Very high | 89 | Confident | 44 Ų | 44 | 123.2 Ų | 123.2 | 27% | 0.267 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.3 | -177.1 | -177 | 0 | 0 | 0 | 0 | 110.9 | T62 V63 K65 R76 | T62-V78 CarbonylContact C-O 3.46Å; T62-V78 VanDerWaalsContact CA-O 3.3Å; T62-V78 WeakPolarHBondContact CA-O 3.34Å; V63-V78 PolarHBondContact N-O 3.24Å; V63-V78 PolarHBondContact O-N 3.13Å; K65-V78 HydrophobicContact CB-CG2 4.43Å; K65-V78 HydrophobicContact CD-CB 4.34Å; K65-V78 HydrophobicContact CD-CG2 4.06Å; K65-V78 HydrophobicContact CG-CB 4.5Å; K65-V78 HydrophobicContact CG-CG2 4.24Å; R76-V78 PolarHBondContact O-N 3.33Å |
| 79 | K | 92.6 | Very high | 89.6 | Confident | 137 Ų | 137 | 126.9 Ų | 126.9 | 60% | 0.596 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 135 | 173 | -65.3 | -179.3 | -178.6 | 177.3 | 0 | 110.8 | T62 | T62-K79 HydrophobicContact CG2-CG 4.13Å |
| 80 | L | 91 | Very high | 90.3 | Very high | 116 Ų | 116 | 132.3 Ų | 132.3 | 61% | 0.607 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -69 | -32.2 | 178 | -77 | 177 | 0 | 0 | 0 | 113.5 | K60 A61 V63 | K60-L80 VanDerWaalsContact O-CD1 3.29Å; K60-L80 WeakPolarHBondContact O-CD1 3.18Å; A61-L80 PolarHBondContact O-N 3.31Å; A61-L80 VanDerWaalsContact O-N 3.1Å; V63-L80 HydrophobicContact CB-CD2 4.41Å; V63-L80 HydrophobicContact CG2-CD1 4.13Å; V63-L80 HydrophobicContact CG2-CD2 3.56Å; V63-L80 HydrophobicContact CG2-CG 3.85Å |
| 81 | R | 91.2 | Very high | 91.1 | Very high | 229 Ų | 229 | 131 Ų | 131 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -120.4 | 112.6 | 175 | -67.9 | -177.2 | 178.4 | 177.6 | -0.6 | 108.7 | ||
| 82 | K | 92.9 | Very high | 91.8 | Very high | 183 Ų | 183 | 127 Ų | 127 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148.3 | 174 | -64 | -174.1 | 179.9 | -177.2 | 0 | 109.7 | ||
| 83 | M | 94.2 | Very high | 92.7 | Very high | 137 Ų | 137 | 129 Ų | 129 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.5 | 174.7 | -66.6 | 173.4 | 71 | 0 | 0 | 110 | ||
| 84 | P | 95.9 | Very high | 93.5 | Very high | 90 Ų | 90 | 136.6 Ų | 136.6 | 58% | 0.584 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.6 | 171.7 | -21.7 | 33.4 | 0 | 0 | 0 | 111.4 | ||
| 85 | R | 97.2 | Very high | 94.1 | Very high | 258 Ų | 258 | 144.1 Ų | 144.1 | 97% | 0.974 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -83.9 | -26.2 | 175.2 | -69.8 | -177.7 | 176.8 | 172 | -4 | 113.1 | ||
| 86 | Y | 96.6 | Very high | 94.3 | Very high | 179 Ų | 179 | 148.3 Ų | 148.3 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | -114.9 | 137.3 | -177.3 | 173.8 | -97.1 | 0 | 0 | 0 | 109.7 | ||||
| 87 | Y | 95.3 | Very high | 94.7 | Very high | 141 Ų | 141 | 153.4 Ų | 153.4 | 55% | 0.553 | 72% | 0.721 | S | S | * | * | trans | -119.7 | 137.7 | 171 | -67.4 | -91.8 | 0 | 0 | 0 | 108.4 | ||||
| 88 | P | 96.6 | Very high | 94.8 | Very high | 63 Ų | 63 | 152 Ų | 152 | 41% | 0.409 | 72% | 0.716 | S | S | . | * | trans | -67.8 | 154.9 | 171.2 | 32.3 | -35 | 0 | 0 | 0 | 110.1 | E90 D91 | P88-E90 VanDerWaalsContact C-N 3.25Å; P88-E90 PolarHBondContact O-N 3.43Å; P88-D91 WeakPolarHBondContact CG-OD1 3.49Å | ||
| 89 | T | 97.1 | Very high | 94.9 | Very high | 143 Ų | 143 | 159.1 Ų | 159.1 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -64.7 | -32.5 | 175.2 | -45.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 90 | E | 96.9 | Very high | 94.8 | Very high | 168 Ų | 168 | 155.2 Ų | 155.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -132.3 | 138.8 | 179.4 | -64.8 | -176.9 | 173.9 | 0 | 0 | 111.6 | P88 | P88-E90 VanDerWaalsContact C-N 3.25Å; P88-E90 PolarHBondContact O-N 3.43Å |
| 91 | D | 96 | Very high | 94.9 | Very high | 138 Ų | 138 | 157.9 Ų | 157.9 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 138.6 | 174.7 | -87.8 | -26.2 | 0 | 0 | 0 | 111.3 | P88 | P88-D91 WeakPolarHBondContact CG-OD1 3.49Š|
| 92 | V | 96.1 | Very high | 95.1 | Very high | 138 Ų | 138 | 153 Ų | 153 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 125.4 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 93 | P | 96.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 147.6 Ų | 147.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 146.5 | -178.6 | 24.7 | -34 | 0 | 0 | 0 | 111.8 | ||
| 94 | R | 95.8 | Very high | 95.4 | Very high | 231 Ų | 231 | 147.1 Ų | 147.1 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 141.1 | -179.7 | 70 | -178.6 | -176.2 | 179.3 | -2 | 111.4 | ||
| 95 | K | 95.4 | Very high | 95.4 | Very high | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 144.6 | 173 | -63.6 | -176.8 | -179 | -179.1 | 0 | 111.2 | ||
| 96 | L | 95.3 | Very high | 95.3 | Very high | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.3 | 171.8 | -61.2 | 177.3 | 0 | 0 | 0 | 111 | S98 | L96-S98 PolarHBondContact O-N 2.88Š|
| 97 | R | 94.3 | Very high | 95.3 | Very high | 251 Ų | 251 | 136.8 Ų | 136.8 | 95% | 0.947 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 118.7 | 178.1 | -68.2 | -176.3 | 178 | -176.3 | 0.9 | 109.3 | ||
| 98 | S | 93.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 139.2 Ų | 139.2 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | trans | -105.5 | 132 | 172.5 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | L96 K101 | L96-S98 PolarHBondContact O-N 2.88Å; S98-K101 WeakPolarHBondContact OG-CD 3.33Å | ||
| 99 | H | 93.1 | Very high | 95.4 | Very high | 193 Ų | 193 | 139.5 Ų | 139.5 | 89% | 0.894 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -84.2 | 154.1 | 174.7 | -170.3 | 60.9 | 0 | 0 | 0 | 111.2 | K101 | H99-K101 VanDerWaalsContact C-N 3.28Å; H99-K101 PolarHBondContact O-N 3.49Å |
| 100 | G | 89.8 | Confident | 95.3 | Very high | 54 Ų | 54 | 141.1 Ų | 141.1 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 81.1 | -15.7 | 171 | 0 | 0 | 0 | 0 | 0 | 116.8 | K102 | G100-K102 PolarHBondContact O-N 2.92Å; G100-K102 VanDerWaalsContact O-N 3.17Å |
| 101 | K | 93.9 | Very high | 95.4 | Very high | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | -73.6 | 107 | 174.5 | -62.4 | -170.2 | -169.5 | -179.6 | 0 | 110.2 | S98 H99 | S98-K101 WeakPolarHBondContact OG-CD 3.33Å; H99-K101 VanDerWaalsContact C-N 3.28Å; H99-K101 PolarHBondContact O-N 3.49Å | ||
| 102 | K | 95 | Very high | 95.4 | Very high | 128 Ų | 128 | 134.4 Ų | 134.4 | 56% | 0.557 | 65% | 0.648 | S | S | * | * | trans | -103.6 | 146.5 | 179 | -64.9 | -174.5 | -176.9 | -175 | 0 | 111.1 | G100 Q106 H107 | G100-K102 PolarHBondContact O-N 2.92Å; G100-K102 VanDerWaalsContact O-N 3.17Å; K102-Q106 HydrophobicContact CB-CB 4.2Å; K102-Q106 HydrophobicContact CD-CB 4.38Å; K102-H107 PolarHBondContact O-NE2 3.21Å | ||
| 103 | P | 96.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 132.6 Ų | 132.6 | 45% | 0.448 | 65% | 0.648 | S | S | . | * | trans | -63.7 | 155 | 171.7 | 29.1 | -35.4 | 0 | 0 | 0 | 110.5 | S105 Q106 H107 | P103-S105 PolarHBondContact O-N 3.42Å; P103-S105 VanDerWaalsContact O-N 3.08Å; P103-Q106 HydrophobicContact CG-CB 4.42Å; P103-Q106 HydrophobicContact CG-CG 4Å; P103-Q106 PolarHBondContact O-N 2.97Å; P103-H107 PolarHBondContact O-CD2 3.21Å | ||
| 104 | F | 96.4 | Very high | 95.5 | Very high | 127 Ų | 127 | 129.7 Ų | 129.7 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -52.6 | -35.7 | -177.1 | 177.4 | -102.3 | 0 | 0 | 0 | 113.2 | Q106 H107 R109 S141 | F104-Q106 PolarHBondContact O-N 3.39Å; F104-H107 AromaticContact CD2-ND1 3.8Å; F104-H107 WeakPolarHBondContact O-CB 3.16Å; F104-H107 PolarHBondContact O-N 3.07Å; F104-H107 VanDerWaalsContact O-N 3.16Å; F104-R109 VanDerWaalsContact CE1-NH2 3.28Å; F104-R109 PolarHBondContact O-NH1 3.27Å; F104-R109 PolarHBondContact O-NH2 3.26Å; F104-S141 WeakPolarHBondContact CZ-O 3.5Å |
| 105 | S | 95.4 | Very high | 95.6 | Very high | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -59.8 | -24.4 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | P103 | P103-S105 PolarHBondContact O-N 3.42Å; P103-S105 VanDerWaalsContact O-N 3.08Å |
| 106 | Q | 96.1 | Very high | 95.7 | Very high | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -100.5 | 1.2 | -179 | -65 | 179.9 | 8.8 | 0 | 0 | 113.5 | K102 P103 F104 | K102-Q106 HydrophobicContact CB-CB 4.2Å; K102-Q106 HydrophobicContact CD-CB 4.38Å; P103-Q106 HydrophobicContact CG-CB 4.42Å; P103-Q106 HydrophobicContact CG-CG 4Å; P103-Q106 PolarHBondContact O-N 2.97Å; F104-Q106 PolarHBondContact O-N 3.39Å |
| 107 | H | 96.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 107.8 Ų | 107.8 | 41% | 0.407 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -71.1 | 143.6 | 177.9 | -68.7 | -179.3 | 0 | 0 | 0 | 110.6 | K102 P103 F104 R109 | K102-H107 PolarHBondContact O-NE2 3.21Å; P103-H107 PolarHBondContact O-CD2 3.21Å; F104-H107 AromaticContact CD2-ND1 3.8Å; F104-H107 WeakPolarHBondContact O-CB 3.16Å; F104-H107 PolarHBondContact O-N 3.07Å; F104-H107 VanDerWaalsContact O-N 3.16Å; H107-R109 VanDerWaalsContact CB-NH1 3.32Å |
| 108 | K | 95.4 | Very high | 95.9 | Very high | 193 Ų | 193 | 95.9 Ų | 95.9 | 84% | 0.839 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 130.5 | 172.9 | -65.4 | -174.1 | 177 | -171.9 | 0 | 109.5 | ||
| 109 | R | 97 | Very high | 96.1 | Very high | 68 Ų | 68 | 92.5 Ų | 92.5 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 132.1 | 172 | -52.5 | -50.9 | 176.7 | -149.9 | -7.8 | 109.1 | F104 H107 S140 S141 | F104-R109 VanDerWaalsContact CE1-NH2 3.28Å; F104-R109 PolarHBondContact O-NH1 3.27Å; F104-R109 PolarHBondContact O-NH2 3.26Å; H107-R109 VanDerWaalsContact CB-NH1 3.32Å; R109-S140 WeakPolarHBondContact CG-O 3.19Å; R109-S140 PolarHBondContact NE-O 3.13Å; R109-S141 WeakPolarHBondContact CD-O 3.34Å; R109-S141 VanDerWaalsContact NE-C 3.25Å; R109-S141 PolarHBondContact NE-O 3.12Å; R109-S141 VanDerWaalsContact NE-O 3.08Å |
| 110 | K | 96.6 | Very high | 96.3 | Very high | 177 Ų | 177 | 83.3 Ų | 83.3 | 77% | 0.77 | 44% | 0.436 | S | S | * | . | trans | -113.3 | 148 | 173.1 | -65.4 | -175 | 177 | -174.5 | 0 | 107.9 | Q138 Q162 | K110-Q138 PolarHBondContact O-NE2 3.44Å; K110-Q162 PolarHBondContact O-OE1 2.92Å; K110-Q162 VanDerWaalsContact O-OE1 3.08Å | ||
| 111 | L | 97.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 80.7 Ų | 80.7 | 32% | 0.319 | 41% | 0.409 | S | S | . | . | trans | -121.2 | 143.2 | 172 | -168.8 | 61.2 | 0 | 0 | 0 | 107.9 | I115 F135 L144 | L111-I115 HydrophobicContact CD1-CB 4.05Å; L111-I115 HydrophobicContact CD1-CD1 4.3Å; L111-I115 HydrophobicContact CD1-CG2 3.91Å; L111-I115 HydrophobicContact CD2-CB 4.46Å; L111-I115 HydrophobicContact CD2-CG2 4.26Å; L111-I115 WeakPolarHBondContact CD2-O 3.41Å; L111-I115 HydrophobicContact CG-CB 4.12Å; L111-I115 HydrophobicContact CG-CG2 4.27Å; L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.05Å; L111-L144 HydrophobicContact CD1-CD2 3.45Å; L111-L144 VanDerWaalsContact CD1-CD2 3.45Å | ||
| 112 | R | 97.3 | Very high | 97 | Very high | 105 Ų | 105 | 72.6 Ų | 72.6 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | trans | -65.3 | 141 | 173 | -85.7 | 160.1 | 71.5 | -163.3 | 4.5 | 108.4 | S114 I115 V165 | R112-S114 PolarHBondContact O-N 2.98Å; R112-I115 HydrophobicContact CB-CD1 4.12Å; R112-I115 HydrophobicContact CB-CG1 4.26Å; R112-I115 PolarHBondContact O-N 2.99Å; R112-V165 PolarHBondContact NH1-O 3.38Å; R112-V165 VanDerWaalsContact NH1-O 3.15Å | ||
| 113 | A | 96.8 | Very high | 97.1 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I115 | A113-I115 PolarHBondContact O-N 2.91Š|
| 114 | S | 97.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19 | 176 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | R112 A167 | R112-S114 PolarHBondContact O-N 2.98Å; S114-A167 WeakPolarHBondContact OG-CB 3.1Å |
| 115 | I | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | trans | -98.2 | 101 | -178.4 | -58.6 | 171.4 | 0 | 0 | 0 | 108.3 | L111 R112 A113 L121 F135 L144 Q162 A167 | L111-I115 HydrophobicContact CD1-CB 4.05Å; L111-I115 HydrophobicContact CD1-CD1 4.3Å; L111-I115 HydrophobicContact CD1-CG2 3.91Å; L111-I115 HydrophobicContact CD2-CB 4.46Å; L111-I115 HydrophobicContact CD2-CG2 4.26Å; L111-I115 WeakPolarHBondContact CD2-O 3.41Å; L111-I115 HydrophobicContact CG-CB 4.12Å; L111-I115 HydrophobicContact CG-CG2 4.27Å; R112-I115 HydrophobicContact CB-CD1 4.12Å; R112-I115 HydrophobicContact CB-CG1 4.26Å; R112-I115 PolarHBondContact O-N 2.99Å; A113-I115 PolarHBondContact O-N 2.91Å; I115-L121 HydrophobicContact CG1-CD2 4.24Å; I115-L121 HydrophobicContact CG2-CD2 4.47Å; I115-F135 HydrophobicContact CG2-CD1 3.58Å; I115-F135 HydrophobicContact CG2-CD2 4.18Å; I115-F135 HydrophobicContact CG2-CE1 3.64Å; I115-F135 HydrophobicContact CG2-CE2 4.25Å; I115-F135 HydrophobicContact CG2-CG 3.84Å; I115-F135 HydrophobicContact CG2-CZ 3.97Å; I115-L144 HydrophobicContact CD1-CD1 4.13Å; I115-Q162 HydrophobicContact CD1-CG 3.66Å; I115-A167 HydrophobicContact CG1-CB 3.71Å | ||
| 116 | T | 97.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 61.9 Ų | 61.9 | 27% | 0.27 | 33% | 0.33 | S | S | . | . | trans | -116.4 | 148.9 | 176.4 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | G118 T119 F135 K171 | T116-G118 PolarHBondContact O-N 2.9Å; T116-G118 VanDerWaalsContact O-N 3.16Å; T116-T119 WeakPolarHBondContact CA-OG1 3.45Å; T116-T119 PolarHBondContact N-OG1 3.07Å; T116-T119 VanDerWaalsContact O-CB 3.26Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 3.27Å; T116-T119 PolarHBondContact O-OG1 3.27Å; T116-T119 PolarHBondContact OG1-OG1 3.3Å; T116-F135 VanDerWaalsContact O-CD1 3.32Å; T116-F135 WeakPolarHBondContact O-CD1 3.26Å; T116-K171 WeakPolarHBondContact OG1-CE 3.42Å | ||
| 117 | P | 97.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 125 | 177.5 | -27.6 | 35.9 | 0 | 0 | 0 | 111.3 | ||
| 118 | G | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -2.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | T116 V120 F135 I172 | T116-G118 PolarHBondContact O-N 2.9Å; T116-G118 VanDerWaalsContact O-N 3.16Å; G118-V120 PolarHBondContact O-N 2.99Å; G118-F135 WeakPolarHBondContact CA-O 3.41Å; G118-F135 PolarHBondContact N-O 3.09Å; G118-I172 WeakPolarHBondContact CA-O 3.34Å; G118-I172 PolarHBondContact O-N 2.83Å |
| 119 | T | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 136.9 | 170.7 | -48.8 | 0 | 0 | 0 | 0 | 110 | T116 F135 A167 T168 K171 | T116-T119 WeakPolarHBondContact CA-OG1 3.45Å; T116-T119 PolarHBondContact N-OG1 3.07Å; T116-T119 VanDerWaalsContact O-CB 3.26Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 3.27Å; T116-T119 PolarHBondContact O-OG1 3.27Å; T116-T119 PolarHBondContact OG1-OG1 3.3Å; T119-F135 WeakPolarHBondContact O-CB 3.42Å; T119-F135 PolarHBondContact O-N 3.48Å; T119-A167 HydrophobicContact CG2-CB 4.45Å; T119-T168 WeakPolarHBondContact CG2-O 3.45Å; T119-K171 HydrophobicContact CG2-CG 4.41Å |
| 120 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 136.6 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | G118 R132 V133 T168 T170 I172 Y241 L242 | G118-V120 PolarHBondContact O-N 2.99Å; V120-R132 HydrophobicContact CG1-CB 3.95Å; V120-V133 CarbonylContact C-O 3.46Å; V120-V133 WeakPolarHBondContact CA-O 3.43Å; V120-T168 WeakPolarHBondContact CB-OG1 3.3Å; V120-T168 PolarHBondContact O-N 3.16Å; V120-T168 PolarHBondContact O-OG1 3.48Å; V120-T170 PolarHBondContact N-O 3.27Å; V120-I172 HydrophobicContact CG2-CD1 4.42Å; V120-Y241 HydrophobicContact CG1-CE1 4.01Å; V120-L242 HydrophobicContact CG1-CD2 3.88Å; V120-L242 HydrophobicContact CG2-CD2 4.2Å |
| 121 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.5 | -172.3 | -68.7 | -174.3 | 0 | 0 | 0 | 108.2 | I115 R132 V133 F135 L144 V146 V165 I166 A167 | I115-L121 HydrophobicContact CG1-CD2 4.24Å; I115-L121 HydrophobicContact CG2-CD2 4.47Å; L121-R132 CarbonylContact O-C 3.55Å; L121-R132 WeakPolarHBondContact O-CA 3.4Å; L121-V133 HydrophobicContact CB-CG2 3.99Å; L121-V133 WeakPolarHBondContact CB-O 3.45Å; L121-V133 PolarHBondContact N-O 3.29Å; L121-V133 VanDerWaalsContact O-CG2 3.29Å; L121-V133 WeakPolarHBondContact O-CG2 3.39Å; L121-V133 PolarHBondContact O-N 3.15Å; L121-F135 HydrophobicContact CD1-CB 3.58Å; L121-F135 HydrophobicContact CD1-CD2 4.07Å; L121-F135 HydrophobicContact CD1-CG 4.11Å; L121-F135 HydrophobicContact CG-CB 3.98Å; L121-L144 HydrophobicContact CD1-CD1 3.94Å; L121-V146 HydrophobicContact CD1-CG2 3.9Å; L121-V165 HydrophobicContact CB-CG1 3.48Å; L121-V165 VanDerWaalsContact CB-CG1 3.48Å; L121-V165 HydrophobicContact CD1-CG1 3.92Å; L121-V165 HydrophobicContact CD2-CG1 3.69Å; L121-V165 HydrophobicContact CG-CG1 3.85Å; L121-I166 CarbonylContact C-O 3.35Å; L121-I166 WeakPolarHBondContact CA-O 3.45Å; L121-A167 HydrophobicContact CD2-CB 3.94Å |
| 122 | I | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.2 | 171.4 | -52.6 | 174.1 | 0 | 0 | 0 | 107.9 | L124 R132 V165 I166 T168 F246 F259 | I122-L124 PolarHBondContact O-N 3.43Å; I122-R132 HydrophobicContact CG1-CG 4.36Å; I122-V165 VanDerWaalsContact O-CA 3.3Å; I122-V165 WeakPolarHBondContact O-CA 3.45Å; I122-I166 HydrophobicContact CB-CB 4.17Å; I122-I166 HydrophobicContact CD1-CB 4.46Å; I122-I166 PolarHBondContact N-O 3.49Å; I122-I166 PolarHBondContact O-N 3.13Å; I122-T168 HydrophobicContact CD1-CG2 3.83Å; I122-T168 HydrophobicContact CG1-CG2 3.93Å; I122-F246 HydrophobicContact CD1-CB 4.16Å; I122-F246 HydrophobicContact CD1-CD1 4.38Å; I122-F246 HydrophobicContact CD1-CD2 4.08Å; I122-F246 HydrophobicContact CD1-CG 3.94Å; I122-F246 HydrophobicContact CG2-CB 3.68Å; I122-F246 HydrophobicContact CG2-CD1 3.88Å; I122-F246 HydrophobicContact CG2-CG 3.99Å; I122-F259 HydrophobicContact CD1-CD1 4.12Å; I122-F259 HydrophobicContact CD1-CE1 4.35Å |
| 123 | L | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.6 | 175.5 | -63.8 | -179.6 | 0 | 0 | 0 | 110 | H128 R129 G130 K131 V133 V155 A160 V165 | L123-H128 WeakPolarHBondContact CB-O 3.47Å; L123-H128 HydrophobicContact CD1-CB 3.74Å; L123-R129 CarbonylContact O-C 3.49Å; L123-R129 WeakPolarHBondContact O-CA 3.32Å; L123-G130 PolarHBondContact O-N 2.84Å; L123-K131 PolarHBondContact N-O 2.8Å; L123-V133 HydrophobicContact CD1-CG1 4.1Å; L123-V133 HydrophobicContact CD1-CG2 4.07Å; L123-V133 HydrophobicContact CD2-CG2 3.91Å; L123-V133 HydrophobicContact CG-CG1 4.43Å; L123-V133 HydrophobicContact CG-CG2 3.65Å; L123-V155 HydrophobicContact CD1-CG1 4.31Å; L123-A160 HydrophobicContact CD2-CB 3.87Å; L123-V165 HydrophobicContact CD2-CG2 3.9Å |
| 124 | L | 97.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | trans | -93.5 | -26.4 | 178.8 | -61.5 | 179.1 | 0 | 0 | 0 | 113 | I122 F164 I166 | I122-L124 PolarHBondContact O-N 3.43Å; L124-F164 WeakPolarHBondContact CB-O 3.4Å; L124-F164 PolarHBondContact N-O 3.22Å; L124-I166 HydrophobicContact CD1-CD1 4.37Å; L124-I166 HydrophobicContact CD1-CG1 3.9Å; L124-I166 HydrophobicContact CD2-CD1 3.82Å; L124-I166 HydrophobicContact CD2-CG1 3.98Å; L124-I166 HydrophobicContact CG-CG1 4.15Å | ||
| 125 | T | 96.5 | Very high | 97.5 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -124.1 | 156.6 | -170.8 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | F164 | T125-F164 HydrophobicContact CG2-CB 3.81Å; T125-F164 HydrophobicContact CG2-CD1 3.82Å; T125-F164 HydrophobicContact CG2-CG 3.83Å; T125-F164 WeakPolarHBondContact OG1-CB 3.41Å |
| 126 | G | 95 | Very high | 97.5 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 46% | 0.464 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 82.6 | -169.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H128 R129 | G126-H128 PolarHBondContact O-N 3.36Å; G126-H128 VanDerWaalsContact O-N 3.12Å; G126-R129 PolarHBondContact O-N 3.3Å |
| 127 | R | 96.1 | Very high | 97.4 | Very high | 227 Ų | 227 | 42 Ų | 42 | 86% | 0.857 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25 | -176.2 | -176.7 | 173.9 | 175.2 | 83.1 | -0.2 | 114 | ||
| 128 | H | 97.4 | Very high | 97.4 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 25.7 | -177.3 | -57.8 | -58.3 | 0 | 0 | 0 | 112.8 | L123 G126 K131 R154 V155 | L123-H128 WeakPolarHBondContact CB-O 3.47Å; L123-H128 HydrophobicContact CD1-CB 3.74Å; G126-H128 PolarHBondContact O-N 3.36Å; G126-H128 VanDerWaalsContact O-N 3.12Å; H128-K131 HydrophobicContact CB-CD 4.12Å; H128-K131 HydrophobicContact CB-CG 4.48Å; H128-K131 WeakPolarHBondContact O-CB 3.21Å; H128-K131 PolarHBondContact O-N 2.97Å; H128-R154 PolarHBondContact CE1-O 3.39Å; H128-R154 VanDerWaalsContact CE1-O 3.3Å; H128-V155 HydrophobicContact CB-CG1 4.42Å; H128-V155 HydrophobicContact CB-CG2 3.95Å |
| 129 | R | 97.1 | Very high | 97.5 | Very high | 189 Ų | 189 | 41.2 Ų | 41.2 | 71% | 0.713 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 143.7 | 175.1 | 65.3 | -178 | -175.7 | -174.8 | 1.3 | 112 | L123 G126 K131 | L123-R129 CarbonylContact O-C 3.49Å; L123-R129 WeakPolarHBondContact O-CA 3.32Å; G126-R129 PolarHBondContact O-N 3.3Å; R129-K131 PolarHBondContact O-N 2.71Å; R129-K131 VanDerWaalsContact O-N 3.14Å |
| 130 | G | 97.3 | Very high | 97.3 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | -13.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L123 F246 | L123-G130 PolarHBondContact O-N 2.84Å; G130-F246 WeakPolarHBondContact CA-O 3.49Å; G130-F246 WeakPolarHBondContact O-CB 3.3Å; G130-F246 PolarHBondContact O-N 3.07Å |
| 131 | K | 98.2 | Very high | 97.2 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 21% | 0.213 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -74.2 | 140 | -177.2 | -62.7 | -166.9 | 173.6 | -167.1 | 0 | 111.5 | L123 H128 R129 N153 V155 T245 | L123-K131 PolarHBondContact N-O 2.8Å; H128-K131 HydrophobicContact CB-CD 4.12Å; H128-K131 HydrophobicContact CB-CG 4.48Å; H128-K131 WeakPolarHBondContact O-CB 3.21Å; H128-K131 PolarHBondContact O-N 2.97Å; R129-K131 PolarHBondContact O-N 2.71Å; R129-K131 VanDerWaalsContact O-N 3.14Å; K131-N153 WeakPolarHBondContact CD-O 3.19Å; K131-N153 PolarHBondContact NZ-O 3.45Å; K131-V155 HydrophobicContact CB-CG2 4.07Å; K131-V155 HydrophobicContact CD-CG2 3.41Å; K131-V155 VanDerWaalsContact CD-CG2 3.41Å; K131-V155 HydrophobicContact CG-CG2 4.35Å; K131-T245 HydrophobicContact CG-CG2 4.3Å |
| 132 | R | 98.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.3 | 175.1 | -54.5 | -161.3 | -175.4 | 92.5 | -5.2 | 110.1 | V120 L121 I122 N153 Y241 L242 S244 | V120-R132 HydrophobicContact CG1-CB 3.95Å; L121-R132 CarbonylContact O-C 3.55Å; L121-R132 WeakPolarHBondContact O-CA 3.4Å; I122-R132 HydrophobicContact CG1-CG 4.36Å; R132-N153 PolarHBondContact O-ND2 3.01Å; R132-Y241 VanDerWaalsContact CD-CE1 3.4Å; R132-Y241 WeakPolarHBondContact CD-O 3.44Å; R132-Y241 VanDerWaalsContact CZ-CE2 3.49Å; R132-Y241 VanDerWaalsContact NE-CE2 3.32Å; R132-Y241 PolarHBondContact NH1-O 3.02Å; R132-L242 HydrophobicContact CB-CD2 4.11Å; R132-S244 PolarHBondContact NH1-O 2.76Å; R132-S244 PolarHBondContact NH1-OG 3.16Å |
| 133 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.5 | -168.8 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | V120 L121 L123 V146 V155 | V120-V133 CarbonylContact C-O 3.46Å; V120-V133 WeakPolarHBondContact CA-O 3.43Å; L121-V133 HydrophobicContact CB-CG2 3.99Å; L121-V133 WeakPolarHBondContact CB-O 3.45Å; L121-V133 PolarHBondContact N-O 3.29Å; L121-V133 VanDerWaalsContact O-CG2 3.29Å; L121-V133 WeakPolarHBondContact O-CG2 3.39Å; L121-V133 PolarHBondContact O-N 3.15Å; L123-V133 HydrophobicContact CD1-CG1 4.1Å; L123-V133 HydrophobicContact CD1-CG2 4.07Å; L123-V133 HydrophobicContact CD2-CG2 3.91Å; L123-V133 HydrophobicContact CG-CG1 4.43Å; L123-V133 HydrophobicContact CG-CG2 3.65Å; V133-V146 HydrophobicContact CB-CG1 3.44Å; V133-V146 VanDerWaalsContact CB-CG1 3.44Å; V133-V146 HydrophobicContact CG1-CG1 4.4Å; V133-V146 HydrophobicContact CG2-CG1 3.17Å; V133-V155 HydrophobicContact CG1-CB 3.95Å; V133-V155 HydrophobicContact CG1-CG1 3.92Å; V133-V155 HydrophobicContact CG1-CG2 3.95Å |
| 134 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130 | -174.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | V146 T147 I172 I174 L228 L242 | V134-V146 WeakPolarHBondContact O-CA 3.38Å; V134-V146 WeakPolarHBondContact O-CG1 3.47Å; V134-T147 WeakPolarHBondContact CA-O 3.5Å; V134-T147 PolarHBondContact N-O 2.88Å; V134-T147 PolarHBondContact O-N 3.01Å; V134-I172 HydrophobicContact CG1-CD1 4.12Å; V134-I172 HydrophobicContact CG2-CD1 3.65Å; V134-I174 HydrophobicContact CG1-CD1 3.49Å; V134-I174 VanDerWaalsContact CG1-CD1 3.49Å; V134-L228 HydrophobicContact CB-CD2 4.19Å; V134-L228 HydrophobicContact CG1-CD1 4.42Å; V134-L228 HydrophobicContact CG1-CD2 4.35Å; V134-L228 HydrophobicContact CG2-CD2 4.28Å; V134-L242 HydrophobicContact CG2-CD1 4.3Å; V134-L242 HydrophobicContact CG2-CD2 4.34Å |
| 135 | F | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131 | 173.9 | -179.9 | -120.8 | 0 | 0 | 0 | 111.6 | L111 I115 T116 G118 T119 L121 K137 Q138 L144 V146 | L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.05Å; I115-F135 HydrophobicContact CG2-CD1 3.58Å; I115-F135 HydrophobicContact CG2-CD2 4.18Å; I115-F135 HydrophobicContact CG2-CE1 3.64Å; I115-F135 HydrophobicContact CG2-CE2 4.25Å; I115-F135 HydrophobicContact CG2-CG 3.84Å; I115-F135 HydrophobicContact CG2-CZ 3.97Å; T116-F135 VanDerWaalsContact O-CD1 3.32Å; T116-F135 WeakPolarHBondContact O-CD1 3.26Å; G118-F135 WeakPolarHBondContact CA-O 3.41Å; G118-F135 PolarHBondContact N-O 3.09Å; T119-F135 WeakPolarHBondContact O-CB 3.42Å; T119-F135 PolarHBondContact O-N 3.48Å; L121-F135 HydrophobicContact CD1-CB 3.58Å; L121-F135 HydrophobicContact CD1-CD2 4.07Å; L121-F135 HydrophobicContact CD1-CG 4.11Å; L121-F135 HydrophobicContact CG-CB 3.98Å; F135-K137 VanDerWaalsContact CE2-O 3.27Å; F135-K137 WeakPolarHBondContact CE2-O 3.28Å; F135-Q138 HydrophobicContact CZ-CB 4.35Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.42Å; F135-L144 HydrophobicContact CD2-CD2 4.27Å; F135-L144 HydrophobicContact CD2-CG 4.41Å; F135-L144 HydrophobicContact CE2-CB 3.69Å; F135-L144 HydrophobicContact CE2-CD1 4.45Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.05Å; F135-L144 HydrophobicContact CZ-CD2 4.02Å; F135-V146 HydrophobicContact CD2-CG2 4.37Å |
| 136 | L | 96.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -64.2 | 179.1 | -59.2 | -171.5 | 0 | 0 | 0 | 112.1 | L145 T147 L157 I174 M177 I179 V224 | L136-L145 HydrophobicContact CB-CD2 4.42Å; L136-L145 HydrophobicContact CB-CG 4.3Å; L136-L145 HydrophobicContact CD1-CD2 4.27Å; L136-L145 HydrophobicContact CD1-CG 4.23Å; L136-L145 PolarHBondContact N-O 3.33Å; L136-T147 HydrophobicContact CD1-CG2 3.84Å; L136-T147 HydrophobicContact CD2-CG2 3.76Å; L136-T147 HydrophobicContact CG-CG2 3.94Å; L136-L157 HydrophobicContact CD1-CD2 3.59Å; L136-I174 HydrophobicContact CD2-CD1 4.25Å; L136-M177 HydrophobicContact CD2-CE 3.5Å; L136-M177 VanDerWaalsContact CD2-CE 3.5Å; L136-I179 HydrophobicContact CB-CD1 3.88Å; L136-V224 HydrophobicContact CD1-CG1 4.06Å |
| 137 | K | 96.3 | Very high | 97.3 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 159.5 | -178.8 | 62.3 | 171.4 | -176.7 | 171.5 | 0 | 111.4 | F135 L145 I179 L183 | F135-K137 VanDerWaalsContact CE2-O 3.27Å; F135-K137 WeakPolarHBondContact CE2-O 3.28Å; K137-L145 HydrophobicContact CD-CD2 4.42Å; K137-L145 HydrophobicContact CG-CB 4.07Å; K137-L145 HydrophobicContact CG-CD2 3.98Å; K137-L145 WeakPolarHBondContact O-CB 3.27Å; K137-L145 PolarHBondContact O-N 2.77Å; K137-I179 HydrophobicContact CB-CD1 4.31Å; K137-I179 HydrophobicContact CD-CD1 4.47Å; K137-I179 HydrophobicContact CD-CG2 4.05Å; K137-I179 HydrophobicContact CG-CD1 4.31Å; K137-L183 WeakPolarHBondContact CE-O 3.09Å; K137-L183 PolarHBondContact NZ-O 2.92Å |
| 138 | Q | 97.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 134.6 | 168.1 | -168.1 | 175.1 | 32.2 | 0 | 0 | 110 | K110 F135 G142 | K110-Q138 PolarHBondContact O-NE2 3.44Å; F135-Q138 HydrophobicContact CZ-CB 4.35Å; Q138-G142 PolarHBondContact NE2-O 2.76Å; Q138-G142 VanDerWaalsContact NE2-O 3.16Å |
| 139 | L | 97.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | trans | -84.4 | 167.4 | 174.3 | -59 | 179.9 | 0 | 0 | 0 | 111.2 | S141 G142 L143 L145 R159 D185 F188 | L139-S141 PolarHBondContact O-N 3.4Å; L139-G142 WeakPolarHBondContact O-CA 3.29Å; L139-G142 PolarHBondContact O-N 3.43Å; L139-L143 PolarHBondContact N-O 2.99Å; L139-L145 HydrophobicContact CD2-CB 4.11Å; L139-L145 HydrophobicContact CG-CB 4.18Å; L139-R159 VanDerWaalsContact CD1-CD 3.43Å; L139-R159 HydrophobicContact CD1-CG 3.63Å; L139-D185 WeakPolarHBondContact CB-OD2 3.39Å; L139-F188 HydrophobicContact CD1-CD2 4.4Å | ||
| 140 | S | 95.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 22.4 Ų | 22.4 | 69% | 0.685 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.6 | -177.4 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | R109 G142 D185 | R109-S140 WeakPolarHBondContact CG-O 3.19Å; R109-S140 PolarHBondContact NE-O 3.13Å; S140-G142 PolarHBondContact O-N 3.43Å; S140-D185 PolarHBondContact N-OD2 3.45Å; S140-D185 PolarHBondContact OG-OD2 2.74Å |
| 141 | S | 95.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 25 Ų | 25 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.7 | 169.3 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | F104 R109 L139 L143 D185 | F104-S141 WeakPolarHBondContact CZ-O 3.5Å; R109-S141 WeakPolarHBondContact CD-O 3.34Å; R109-S141 VanDerWaalsContact NE-C 3.25Å; R109-S141 PolarHBondContact NE-O 3.12Å; R109-S141 VanDerWaalsContact NE-O 3.08Å; L139-S141 PolarHBondContact O-N 3.4Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 WeakPolarHBondContact OG-CB 3.46Å; S141-L143 WeakPolarHBondContact OG-CG 3.27Å; S141-L143 PolarHBondContact OG-N 2.93Å; S141-D185 VanDerWaalsContact CB-CG 3.46Å; S141-D185 VanDerWaalsContact CB-OD1 3.32Å; S141-D185 WeakPolarHBondContact CB-OD1 3.45Å; S141-D185 VanDerWaalsContact CB-OD2 3.24Å; S141-D185 WeakPolarHBondContact CB-OD2 3.44Å; S141-D185 PolarHBondContact N-OD2 2.96Å; S141-D185 PolarHBondContact OG-OD1 2.96Å; S141-D185 PolarHBondContact OG-OD2 2.83Å |
| 142 | G | 96.9 | Very high | 97 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 89.4 | -5.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q138 L139 S140 | Q138-G142 PolarHBondContact NE2-O 2.76Å; Q138-G142 VanDerWaalsContact NE2-O 3.16Å; L139-G142 WeakPolarHBondContact O-CA 3.29Å; L139-G142 PolarHBondContact O-N 3.43Å; S140-G142 PolarHBondContact O-N 3.43Å |
| 143 | L | 98 | Very high | 96.9 | Very high | 39 Ų | 39 | 23.2 Ų | 23.2 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 151.1 | 172.2 | -63.9 | 173.9 | 0 | 0 | 0 | 110.8 | L139 S141 R159 H161 | L139-L143 PolarHBondContact N-O 2.99Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 WeakPolarHBondContact OG-CB 3.46Å; S141-L143 WeakPolarHBondContact OG-CG 3.27Å; S141-L143 PolarHBondContact OG-N 2.93Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.17Å; L143-H161 HydrophobicContact CD2-CB 4.08Å |
| 144 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.6 | 177.1 | -52 | -176.5 | 0 | 0 | 0 | 109 | L111 I115 L121 F135 V146 R159 A160 Q162 | L111-L144 HydrophobicContact CD1-CD2 3.45Å; L111-L144 VanDerWaalsContact CD1-CD2 3.45Å; I115-L144 HydrophobicContact CD1-CD1 4.13Å; L121-L144 HydrophobicContact CD1-CD1 3.94Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.42Å; F135-L144 HydrophobicContact CD2-CD2 4.27Å; F135-L144 HydrophobicContact CD2-CG 4.41Å; F135-L144 HydrophobicContact CE2-CB 3.69Å; F135-L144 HydrophobicContact CE2-CD1 4.45Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.05Å; F135-L144 HydrophobicContact CZ-CD2 4.02Å; L144-V146 HydrophobicContact CB-CG2 3.81Å; L144-R159 CarbonylContact O-C 3.48Å; L144-R159 VanDerWaalsContact O-CA 3.3Å; L144-R159 WeakPolarHBondContact O-CA 3.49Å; L144-A160 PolarHBondContact N-O 3.24Å; L144-A160 PolarHBondContact O-N 3.01Å; L144-Q162 HydrophobicContact CD1-CB 4.21Å; L144-Q162 HydrophobicContact CD2-CB 4.39Å; L144-Q162 HydrophobicContact CG-CB 4.29Å |
| 145 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.2 | 163.2 | -179.5 | 62.3 | 0 | 0 | 0 | 108.2 | L136 K137 L139 L157 I179 L183 F188 | L136-L145 HydrophobicContact CB-CD2 4.42Å; L136-L145 HydrophobicContact CB-CG 4.3Å; L136-L145 HydrophobicContact CD1-CD2 4.27Å; L136-L145 HydrophobicContact CD1-CG 4.23Å; L136-L145 PolarHBondContact N-O 3.33Å; K137-L145 HydrophobicContact CD-CD2 4.42Å; K137-L145 HydrophobicContact CG-CB 4.07Å; K137-L145 HydrophobicContact CG-CD2 3.98Å; K137-L145 WeakPolarHBondContact O-CB 3.27Å; K137-L145 PolarHBondContact O-N 2.77Å; L139-L145 HydrophobicContact CD2-CB 4.11Å; L139-L145 HydrophobicContact CG-CB 4.18Å; L145-L157 HydrophobicContact CD1-CD2 4.19Å; L145-L157 HydrophobicContact CG-CD2 4.47Å; L145-I179 HydrophobicContact CD2-CG2 4.3Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.29Å; L145-F188 HydrophobicContact CD1-CD2 4.47Å; L145-F188 HydrophobicContact CD1-CE1 4.46Å; L145-F188 HydrophobicContact CD1-CE2 3.56Å; L145-F188 HydrophobicContact CD1-CZ 3.55Å |
| 146 | V | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.5 | -171.3 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | L121 V133 V134 F135 L144 L157 R158 A160 | L121-V146 HydrophobicContact CD1-CG2 3.9Å; V133-V146 HydrophobicContact CB-CG1 3.44Å; V133-V146 VanDerWaalsContact CB-CG1 3.44Å; V133-V146 HydrophobicContact CG1-CG1 4.4Å; V133-V146 HydrophobicContact CG2-CG1 3.17Å; V134-V146 WeakPolarHBondContact O-CA 3.38Å; V134-V146 WeakPolarHBondContact O-CG1 3.47Å; F135-V146 HydrophobicContact CD2-CG2 4.37Å; L144-V146 HydrophobicContact CB-CG2 3.81Å; V146-L157 WeakPolarHBondContact O-CA 3.35Å; V146-R158 PolarHBondContact N-O 2.9Å; V146-R158 PolarHBondContact O-N 3.49Å; V146-A160 HydrophobicContact CG2-CB 4.05Å |
| 147 | T | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.3 | 170.3 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | V134 L136 Q221 V224 D225 L228 | V134-T147 WeakPolarHBondContact CA-O 3.5Å; V134-T147 PolarHBondContact N-O 2.88Å; V134-T147 PolarHBondContact O-N 3.01Å; L136-T147 HydrophobicContact CD1-CG2 3.84Å; L136-T147 HydrophobicContact CD2-CG2 3.76Å; L136-T147 HydrophobicContact CG-CG2 3.94Å; T147-Q221 PolarHBondContact OG1-NE2 3.07Å; T147-V224 HydrophobicContact CG2-CG1 4.38Å; T147-D225 PolarHBondContact OG1-OD1 3.15Å; T147-L228 HydrophobicContact CG2-CD2 3.45Å; T147-L228 VanDerWaalsContact CG2-CD2 3.45Å |
| 148 | G | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 108.1 | 160 | 0 | 0 | 0 | 0 | 0 | 106 | L150 N153 V155 | G148-L150 WeakPolarHBondContact O-CA 3.41Å; G148-L150 PolarHBondContact O-N 2.91Å; G148-N153 WeakPolarHBondContact CA-ND2 3.41Å; G148-N153 VanDerWaalsContact CA-OD1 3.25Å; G148-N153 WeakPolarHBondContact CA-OD1 3.48Å; G148-N153 PolarHBondContact O-OD1 3.18Å; G148-V155 CarbonylContact C-O 3.55Å; G148-V155 PolarHBondContact N-O 2.94Å; G148-V155 VanDerWaalsContact N-O 3.07Å; G148-V155 CarbonylContact O-C 3.53Å |
| 149 | P | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -40.7 | 119.9 | -168.5 | -27.2 | 26.7 | 0 | 0 | 0 | 110.9 | A151 L152 N153 L228 L229 I232 | P149-A151 PolarHBondContact O-N 3.47Å; P149-L152 HydrophobicContact CB-CD1 4.11Å; P149-L152 HydrophobicContact CB-CG 4.21Å; P149-L152 HydrophobicContact CG-CD1 4.16Å; P149-L152 PolarHBondContact O-N 3.29Å; P149-N153 PolarHBondContact O-N 2.98Å; P149-L228 HydrophobicContact CG-CD2 3.97Å; P149-L228 HydrophobicContact CG-CG 4.45Å; P149-L229 HydrophobicContact CB-CD2 3.8Å; P149-L229 HydrophobicContact CB-CG 4.4Å; P149-L229 HydrophobicContact CG-CD2 4.46Å; P149-I232 HydrophobicContact CG-CD1 3.37Å | ||
| 150 | L | 96.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.9 | -31.1 | -158.7 | -174.5 | 70.6 | 0 | 0 | 0 | 111.1 | G148 L152 R154 P156 Q221 D225 | G148-L150 WeakPolarHBondContact O-CA 3.41Å; G148-L150 PolarHBondContact O-N 2.91Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.89Å; L150-R154 WeakPolarHBondContact O-CA 3.49Å; L150-R154 WeakPolarHBondContact O-CD 3.38Å; L150-R154 PolarHBondContact O-N 2.88Å; L150-P156 HydrophobicContact CD1-CB 4.15Å; L150-Q221 HydrophobicContact CB-CG 4.1Å; L150-Q221 HydrophobicContact CD2-CG 4.17Å; L150-D225 WeakPolarHBondContact CB-OD2 3.31Å; L150-D225 PolarHBondContact N-OD2 3.4Å |
| 151 | A | 94.5 | Very high | 96.8 | Very high | 68 Ų | 68 | 36 Ų | 36 | 56% | 0.562 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -63.9 | -30.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P149 | P149-A151 PolarHBondContact O-N 3.47Å |
| 152 | L | 95.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 18% | 0.183 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -88.8 | -55 | -176 | -63 | -178.7 | 0 | 0 | 0 | 112.5 | P149 L150 L229 I232 L242 | P149-L152 HydrophobicContact CB-CD1 4.11Å; P149-L152 HydrophobicContact CB-CG 4.21Å; P149-L152 HydrophobicContact CG-CD1 4.16Å; P149-L152 PolarHBondContact O-N 3.29Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.89Å; L152-L229 HydrophobicContact CD1-CD2 4.25Å; L152-L229 HydrophobicContact CG-CD2 4.27Å; L152-I232 HydrophobicContact CD1-CD1 4.5Å; L152-I232 HydrophobicContact CD1-CG2 4.24Å; L152-L242 HydrophobicContact CD1-CB 4.36Å; L152-L242 HydrophobicContact CD1-CD1 4.3Å |
| 153 | N | 95.6 | Very high | 97 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -127.3 | 6.9 | -167.4 | 67.9 | 13.2 | 0 | 0 | 0 | 114.2 | K131 R132 G148 P149 V155 L242 | K131-N153 WeakPolarHBondContact CD-O 3.19Å; K131-N153 PolarHBondContact NZ-O 3.45Å; R132-N153 PolarHBondContact O-ND2 3.01Å; G148-N153 WeakPolarHBondContact CA-ND2 3.41Å; G148-N153 VanDerWaalsContact CA-OD1 3.25Å; G148-N153 WeakPolarHBondContact CA-OD1 3.48Å; G148-N153 PolarHBondContact O-OD1 3.18Å; P149-N153 PolarHBondContact O-N 2.98Å; N153-V155 VanDerWaalsContact C-N 3.26Å; N153-V155 PolarHBondContact O-N 2.87Å; N153-V155 PolarHBondContact OD1-N 3.12Å; N153-V155 VanDerWaalsContact OD1-N 3.15Å; N153-L242 WeakPolarHBondContact CB-O 3.29Å; N153-L242 PolarHBondContact ND2-O 2.82Å |
| 154 | R | 96.8 | Very high | 96.9 | Very high | 170 Ų | 170 | 46.9 Ų | 46.9 | 64% | 0.642 | 22% | 0.221 | S | C | * | . | trans | 59.4 | 29.9 | 177.3 | -50 | -64.5 | -176.9 | -169.6 | 4 | 113.9 | H128 L150 | H128-R154 PolarHBondContact CE1-O 3.39Å; H128-R154 VanDerWaalsContact CE1-O 3.3Å; L150-R154 WeakPolarHBondContact O-CA 3.49Å; L150-R154 WeakPolarHBondContact O-CD 3.38Å; L150-R154 PolarHBondContact O-N 2.88Å | ||
| 155 | V | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 100.6 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | L123 H128 K131 V133 G148 N153 | L123-V155 HydrophobicContact CD1-CG1 4.31Å; H128-V155 HydrophobicContact CB-CG1 4.42Å; H128-V155 HydrophobicContact CB-CG2 3.95Å; K131-V155 HydrophobicContact CB-CG2 4.07Å; K131-V155 HydrophobicContact CD-CG2 3.41Å; K131-V155 VanDerWaalsContact CD-CG2 3.41Å; K131-V155 HydrophobicContact CG-CG2 4.35Å; V133-V155 HydrophobicContact CG1-CB 3.95Å; V133-V155 HydrophobicContact CG1-CG1 3.92Å; V133-V155 HydrophobicContact CG1-CG2 3.95Å; G148-V155 CarbonylContact C-O 3.55Å; G148-V155 PolarHBondContact N-O 2.94Å; G148-V155 VanDerWaalsContact N-O 3.07Å; G148-V155 CarbonylContact O-C 3.53Å; N153-V155 VanDerWaalsContact C-N 3.26Å; N153-V155 PolarHBondContact O-N 2.87Å; N153-V155 PolarHBondContact OD1-N 3.12Å; N153-V155 VanDerWaalsContact OD1-N 3.15Å |
| 156 | P | 96.9 | Very high | 97 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 171.5 | 179.8 | 31 | -36.6 | 0 | 0 | 0 | 111.7 | L150 R158 | L150-P156 HydrophobicContact CD1-CB 4.15Å; P156-R158 VanDerWaalsContact O-CB 3.31Å; P156-R158 WeakPolarHBondContact O-CB 3.25Å; P156-R158 PolarHBondContact O-N 3.32Å |
| 157 | L | 96.9 | Very high | 97 | Very high | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.5 | 113 | 164.6 | -79.1 | 165.4 | 0 | 0 | 0 | 109.1 | L136 L145 V146 L183 F188 V224 | L136-L157 HydrophobicContact CD1-CD2 3.59Å; L145-L157 HydrophobicContact CD1-CD2 4.19Å; L145-L157 HydrophobicContact CG-CD2 4.47Å; V146-L157 WeakPolarHBondContact O-CA 3.35Å; L157-L183 HydrophobicContact CD1-CD1 4.15Å; L157-F188 HydrophobicContact CB-CE1 4.16Å; L157-F188 HydrophobicContact CB-CZ 4.18Å; L157-F188 WeakPolarHBondContact O-CE1 3.34Å; L157-V224 HydrophobicContact CD1-CB 4.34Å; L157-V224 HydrophobicContact CD1-CG2 4.09Å; L157-V224 HydrophobicContact CD2-CG1 4.35Å |
| 158 | R | 96.2 | Very high | 97 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.7 | -171.1 | -170.7 | 175.1 | -176.6 | -90.3 | 1.6 | 110.6 | V146 P156 | V146-R158 PolarHBondContact N-O 2.9Å; V146-R158 PolarHBondContact O-N 3.49Å; P156-R158 VanDerWaalsContact O-CB 3.31Å; P156-R158 WeakPolarHBondContact O-CB 3.25Å; P156-R158 PolarHBondContact O-N 3.32Å |
| 159 | R | 97.6 | Very high | 97 | Very high | 66 Ų | 66 | 54 Ų | 54 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131 | 169 | -61.9 | -170.8 | -65 | 176.8 | -6.3 | 110.7 | L139 L143 L144 D185 F188 | L139-R159 VanDerWaalsContact CD1-CD 3.43Å; L139-R159 HydrophobicContact CD1-CG 3.63Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.17Å; L144-R159 CarbonylContact O-C 3.48Å; L144-R159 VanDerWaalsContact O-CA 3.3Å; L144-R159 WeakPolarHBondContact O-CA 3.49Å; R159-D185 IonicContact CZ-OD1 3.9Å; R159-D185 PolarHBondContact NH1-O 3.49Å; R159-D185 IonicContact NH1-OD1 2.85Å; R159-D185 PolarHBondContact NH1-OD1 3.03Å; R159-F188 HydrophobicContact CG-CB 3.81Å; R159-F188 HydrophobicContact CG-CD2 4.01Å; R159-F188 HydrophobicContact CG-CG 3.92Å; R159-F188 VanDerWaalsContact NE-CB 3.28Å; R159-F188 PolarHBondContact NH2-O 3.34Å |
| 160 | A | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L123 L144 V146 V165 | L123-A160 HydrophobicContact CD2-CB 3.87Å; L144-A160 PolarHBondContact N-O 3.24Å; L144-A160 PolarHBondContact O-N 3.01Å; V146-A160 HydrophobicContact CG2-CB 4.05Å; A160-V165 HydrophobicContact CB-CG2 4.15Å |
| 161 | H | 97.9 | Very high | 97 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | trans | -91.5 | 132.7 | 175.6 | -169.9 | -83.9 | 0 | 0 | 0 | 109.6 | L143 K163 F164 | L143-H161 HydrophobicContact CD2-CB 4.08Å; H161-K163 VanDerWaalsContact C-N 3.25Å; H161-K163 PolarHBondContact ND1-N 3.2Å; H161-K163 PolarHBondContact O-N 3.29Å; H161-K163 VanDerWaalsContact O-N 3.13Å; H161-F164 HydrophobicContact CB-CD2 3.77Å; H161-F164 HydrophobicContact CB-CE2 4.35Å; H161-F164 PolarHBondContact O-N 3.27Å | ||
| 162 | Q | 97.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.4 | -33.9 | -174.7 | -177.2 | -176.6 | -32.8 | 0 | 0 | 115 | K110 I115 L144 F164 | K110-Q162 PolarHBondContact O-OE1 2.92Å; K110-Q162 VanDerWaalsContact O-OE1 3.08Å; I115-Q162 HydrophobicContact CD1-CG 3.66Å; L144-Q162 HydrophobicContact CD1-CB 4.21Å; L144-Q162 HydrophobicContact CD2-CB 4.39Å; L144-Q162 HydrophobicContact CG-CB 4.29Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.09Å |
| 163 | K | 97.7 | Very high | 97.1 | Very high | 170 Ų | 170 | 60.8 Ų | 60.8 | 74% | 0.739 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -69.9 | -24.2 | 178.1 | -68.4 | -174.6 | 176.8 | -171.9 | 0 | 113.9 | H161 V165 | H161-K163 VanDerWaalsContact C-N 3.25Å; H161-K163 PolarHBondContact ND1-N 3.2Å; H161-K163 PolarHBondContact O-N 3.29Å; H161-K163 VanDerWaalsContact O-N 3.13Å; K163-V165 VanDerWaalsContact C-N 3.3Å; K163-V165 PolarHBondContact O-N 3.08Å |
| 164 | F | 97.9 | Very high | 97 | Very high | 104 Ų | 104 | 61 Ų | 61 | 46% | 0.456 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -101.5 | 30.1 | -174.6 | -59.6 | -50.6 | 0 | 0 | 0 | 112.1 | L124 T125 H161 Q162 | L124-F164 WeakPolarHBondContact CB-O 3.4Å; L124-F164 PolarHBondContact N-O 3.22Å; T125-F164 HydrophobicContact CG2-CB 3.81Å; T125-F164 HydrophobicContact CG2-CD1 3.82Å; T125-F164 HydrophobicContact CG2-CG 3.83Å; T125-F164 WeakPolarHBondContact OG1-CB 3.41Å; H161-F164 HydrophobicContact CB-CD2 3.77Å; H161-F164 HydrophobicContact CB-CE2 4.35Å; H161-F164 PolarHBondContact O-N 3.27Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.09Å |
| 165 | V | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 135 | -175 | 177 | 0 | 0 | 0 | 0 | 109.4 | R112 L121 I122 L123 A160 K163 | R112-V165 PolarHBondContact NH1-O 3.38Å; R112-V165 VanDerWaalsContact NH1-O 3.15Å; L121-V165 HydrophobicContact CB-CG1 3.48Å; L121-V165 VanDerWaalsContact CB-CG1 3.48Å; L121-V165 HydrophobicContact CD1-CG1 3.92Å; L121-V165 HydrophobicContact CD2-CG1 3.69Å; L121-V165 HydrophobicContact CG-CG1 3.85Å; I122-V165 VanDerWaalsContact O-CA 3.3Å; I122-V165 WeakPolarHBondContact O-CA 3.45Å; L123-V165 HydrophobicContact CD2-CG2 3.9Å; A160-V165 HydrophobicContact CB-CG2 4.15Å; K163-V165 VanDerWaalsContact C-N 3.3Å; K163-V165 PolarHBondContact O-N 3.08Å |
| 166 | I | 98.1 | Very high | 96.3 | Very high | 34 Ų | 34 | 61 Ų | 61 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.7 | 166.1 | -53.9 | 178.1 | 0 | 0 | 0 | 107.5 | L121 I122 L124 F259 | L121-I166 CarbonylContact C-O 3.35Å; L121-I166 WeakPolarHBondContact CA-O 3.45Å; I122-I166 HydrophobicContact CB-CB 4.17Å; I122-I166 HydrophobicContact CD1-CB 4.46Å; I122-I166 PolarHBondContact N-O 3.49Å; I122-I166 PolarHBondContact O-N 3.13Å; L124-I166 HydrophobicContact CD1-CD1 4.37Å; L124-I166 HydrophobicContact CD1-CG1 3.9Å; L124-I166 HydrophobicContact CD2-CD1 3.82Å; L124-I166 HydrophobicContact CD2-CG1 3.98Å; L124-I166 HydrophobicContact CG-CG1 4.15Å; I166-F259 HydrophobicContact CD1-CD1 4.47Å; I166-F259 HydrophobicContact CD1-CE1 4.06Å; I166-F259 HydrophobicContact CD1-CZ 4.1Å; I166-F259 HydrophobicContact CG2-CB 3.67Å; I166-F259 HydrophobicContact CG2-CD1 3.74Å; I166-F259 HydrophobicContact CG2-CD2 4.08Å; I166-F259 HydrophobicContact CG2-CE1 4.36Å; I166-F259 HydrophobicContact CG2-CG 3.56Å |
| 167 | A | 98.3 | Very high | 96 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | S114 I115 T119 L121 | S114-A167 WeakPolarHBondContact OG-CB 3.1Å; I115-A167 HydrophobicContact CG1-CB 3.71Å; T119-A167 HydrophobicContact CG2-CB 4.45Å; L121-A167 HydrophobicContact CD2-CB 3.94Å |
| 168 | T | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 165.9 | 175.7 | 59 | 0 | 0 | 0 | 0 | 110.7 | T119 V120 I122 T170 F259 | T119-T168 WeakPolarHBondContact CG2-O 3.45Å; V120-T168 WeakPolarHBondContact CB-OG1 3.3Å; V120-T168 PolarHBondContact O-N 3.16Å; V120-T168 PolarHBondContact O-OG1 3.48Å; I122-T168 HydrophobicContact CD1-CG2 3.83Å; I122-T168 HydrophobicContact CG1-CG2 3.93Å; T168-T170 VanDerWaalsContact C-N 3.26Å; T168-T170 WeakPolarHBondContact CB-OG1 3.48Å; T168-T170 PolarHBondContact OG1-OG1 2.98Å; T168-F259 WeakPolarHBondContact CA-OXT 3.22Å; T168-F259 WeakPolarHBondContact CB-OXT 3.34Å |
| 169 | T | 97.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 64.3 Ų | 64.3 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | -25.3 | 172.6 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | K171 F259 | T169-K171 PolarHBondContact O-N 3.5Å; T169-F259 WeakPolarHBondContact CG2-O 3.3Å; T169-F259 PolarHBondContact N-O 3.28Å; T169-F259 PolarHBondContact N-OXT 3.01Å; T169-F259 PolarHBondContact OG1-OXT 3.15Å |
| 170 | T | 96.4 | Very high | 95.3 | Very high | 52 Ų | 52 | 63 Ų | 63 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 126 | 178.9 | 21.6 | 0 | 0 | 0 | 0 | 112 | V120 T168 | V120-T170 PolarHBondContact N-O 3.27Å; T168-T170 VanDerWaalsContact C-N 3.26Å; T168-T170 WeakPolarHBondContact CB-OG1 3.48Å; T168-T170 PolarHBondContact OG1-OG1 2.98Å |
| 171 | K | 96.1 | Very high | 95 | Very high | 127 Ų | 127 | 72.1 Ų | 72.1 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.9 | -179 | -65.9 | 176.4 | -172.4 | 178.5 | 0 | 110.5 | T116 T119 T169 | T116-K171 WeakPolarHBondContact OG1-CE 3.42Å; T119-K171 HydrophobicContact CG2-CG 4.41Å; T169-K171 PolarHBondContact O-N 3.5Å |
| 172 | I | 95.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 71.7 Ų | 71.7 | 7% | 0.072 | 38% | 0.381 | C | S | . | . | trans | -107.1 | 135.1 | 169.9 | -58.4 | 162.5 | 0 | 0 | 0 | 106.5 | G118 V120 V134 I174 L228 L231 I232 L238 | G118-I172 WeakPolarHBondContact CA-O 3.34Å; G118-I172 PolarHBondContact O-N 2.83Å; V120-I172 HydrophobicContact CG2-CD1 4.42Å; V134-I172 HydrophobicContact CG1-CD1 4.12Å; V134-I172 HydrophobicContact CG2-CD1 3.65Å; I172-I174 HydrophobicContact CB-CG1 4.38Å; I172-I174 HydrophobicContact CG2-CG1 4.15Å; I172-I174 PolarHBondContact O-N 2.88Å; I172-L228 HydrophobicContact CG2-CD1 4.47Å; I172-L231 HydrophobicContact CG2-CB 3.96Å; I172-I232 HydrophobicContact CD1-CD1 4.41Å; I172-I232 HydrophobicContact CD1-CG1 3.8Å; I172-L238 HydrophobicContact CD1-CD2 3.85Å; I172-L238 HydrophobicContact CG1-CD2 3.71Å | ||
| 173 | D | 94.8 | Very high | 94.6 | Very high | 117 Ų | 117 | 70.1 Ų | 70.1 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | trans | -73 | 119.2 | 171.9 | -176.7 | 17.1 | 0 | 0 | 0 | 110.3 | S175 L231 | D173-S175 WeakPolarHBondContact OD1-CB 3.38Å; D173-S175 PolarHBondContact OD1-N 3.14Å; D173-S175 PolarHBondContact OD1-OG 2.73Å; D173-S175 PolarHBondContact OD2-OG 2.84Å; D173-S175 VanDerWaalsContact OD2-OG 3.09Å; D173-L231 WeakPolarHBondContact O-CD1 3.32Å | ||
| 174 | I | 93.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.062 | 35% | 0.354 | C | S | . | . | trans | -117.7 | 8.5 | -177.7 | -60.1 | -171.3 | 0 | 0 | 0 | 110.9 | V134 L136 I172 G176 M177 L228 | V134-I174 HydrophobicContact CG1-CD1 3.49Å; V134-I174 VanDerWaalsContact CG1-CD1 3.49Å; L136-I174 HydrophobicContact CD2-CD1 4.25Å; I172-I174 HydrophobicContact CB-CG1 4.38Å; I172-I174 HydrophobicContact CG2-CG1 4.15Å; I172-I174 PolarHBondContact O-N 2.88Å; I174-G176 PolarHBondContact O-N 2.81Å; I174-G176 VanDerWaalsContact O-N 3.12Å; I174-M177 HydrophobicContact CG2-CB 3.59Å; I174-M177 HydrophobicContact CG2-CE 3.2Å; I174-M177 HydrophobicContact CG2-CG 4.34Å; I174-M177 HydrophobicContact CG2-SD 4.05Å; I174-M177 WeakPolarHBondContact O-CB 3.3Å; I174-M177 PolarHBondContact O-N 3.19Å; I174-L228 HydrophobicContact CD1-CD1 3.82Å; I174-L228 HydrophobicContact CG1-CD1 4.29Å | ||
| 175 | S | 91.7 | Very high | 94.4 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -38 | -177.9 | 60 | 0 | 0 | 0 | 0 | 113.8 | D173 | D173-S175 WeakPolarHBondContact OD1-CB 3.38Å; D173-S175 PolarHBondContact OD1-N 3.14Å; D173-S175 PolarHBondContact OD1-OG 2.73Å; D173-S175 PolarHBondContact OD2-OG 2.84Å; D173-S175 VanDerWaalsContact OD2-OG 3.09Å |
| 176 | G | 88.4 | Confident | 94.2 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | I174 | I174-G176 PolarHBondContact O-N 2.81Å; I174-G176 VanDerWaalsContact O-N 3.12Å |
| 177 | M | 91.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 66 Ų | 66 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | trans | -84.6 | 130.6 | -173.5 | -169.9 | 176 | 69.4 | 0 | 0 | 112.2 | L136 I174 I179 V224 Q227 L228 | L136-M177 HydrophobicContact CD2-CE 3.5Å; L136-M177 VanDerWaalsContact CD2-CE 3.5Å; I174-M177 HydrophobicContact CG2-CB 3.59Å; I174-M177 HydrophobicContact CG2-CE 3.2Å; I174-M177 HydrophobicContact CG2-CG 4.34Å; I174-M177 HydrophobicContact CG2-SD 4.05Å; I174-M177 WeakPolarHBondContact O-CB 3.3Å; I174-M177 PolarHBondContact O-N 3.19Å; M177-I179 HydrophobicContact CE-CD1 4.12Å; M177-I179 HydrophobicContact CE-CG1 3.74Å; M177-I179 PolarHBondContact O-N 2.84Å; M177-V224 HydrophobicContact SD-CG1 4.42Å; M177-Q227 HydrophobicContact CG-CB 3.89Å; M177-Q227 VanDerWaalsContact CG-OE1 3.28Å; M177-Q227 HydrophobicContact SD-CB 4.11Å; M177-L228 HydrophobicContact SD-CB 4.39Å | ||
| 178 | K | 91.7 | Very high | 94 | Very high | 174 Ų | 174 | 66.6 Ų | 66.6 | 76% | 0.757 | 37% | 0.367 | S | S | * | . | trans | -91.7 | 103.1 | 177.5 | -66.9 | 179.2 | -175.6 | 173.2 | 0 | 110.1 | P180 Q227 | K178-P180 WeakPolarHBondContact O-CD 3.41Å; K178-Q227 VanDerWaalsContact N-OE1 3.08Å | ||
| 179 | I | 91.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | trans | -82.1 | 122.8 | 174.2 | -58.4 | 163.8 | 0 | 0 | 0 | 109.3 | L136 K137 L145 M177 K181 L183 | L136-I179 HydrophobicContact CB-CD1 3.88Å; K137-I179 HydrophobicContact CB-CD1 4.31Å; K137-I179 HydrophobicContact CD-CD1 4.47Å; K137-I179 HydrophobicContact CD-CG2 4.05Å; K137-I179 HydrophobicContact CG-CD1 4.31Å; L145-I179 HydrophobicContact CD2-CG2 4.3Å; M177-I179 HydrophobicContact CE-CD1 4.12Å; M177-I179 HydrophobicContact CE-CG1 3.74Å; M177-I179 PolarHBondContact O-N 2.84Å; I179-K181 PolarHBondContact O-N 2.98Å; I179-L183 HydrophobicContact CG2-CD1 4.26Å | ||
| 180 | P | 92 | Very high | 93.4 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 25% | 0.253 | 41% | 0.406 | S | S | . | . | trans | -56.6 | 136.1 | 179 | -25 | 33 | 0 | 0 | 0 | 112.7 | K178 T182 L183 | K178-P180 WeakPolarHBondContact O-CD 3.41Å; P180-T182 WeakPolarHBondContact CB-OG1 3.37Å; P180-T182 PolarHBondContact O-N 2.99Å; P180-L183 HydrophobicContact CB-CD1 4.49Å; P180-L183 HydrophobicContact CB-CG 4.25Å; P180-L183 HydrophobicContact CG-CD1 4.36Å; P180-L183 PolarHBondContact O-N 3.33Å | ||
| 181 | K | 91.1 | Very high | 93 | Very high | 199 Ų | 199 | 84.1 Ų | 84.1 | 87% | 0.865 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23 | 177.2 | -67.2 | 178.6 | -176.9 | 172.5 | 0 | 112.3 | I179 L183 | I179-K181 PolarHBondContact O-N 2.98Å; K181-L183 PolarHBondContact O-N 2.93Å |
| 182 | T | 92.5 | Very high | 92.4 | Very high | 77 Ų | 77 | 89 Ų | 89 | 47% | 0.472 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.9 | 174.8 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | P180 N184 | P180-T182 WeakPolarHBondContact CB-OG1 3.37Å; P180-T182 PolarHBondContact O-N 2.99Å; T182-N184 VanDerWaalsContact C-N 3.33Å; T182-N184 PolarHBondContact O-N 3.35Å; T182-N184 PolarHBondContact O-OD1 2.7Å |
| 183 | L | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 94.2 Ų | 94.2 | 0% | 0 | 47% | 0.472 | C | S | . | . | trans | -74.1 | 83.3 | 177.2 | -60.8 | -179 | 0 | 0 | 0 | 110.9 | K137 L145 L157 I179 P180 K181 Y187 F188 D220 V224 | K137-L183 WeakPolarHBondContact CE-O 3.09Å; K137-L183 PolarHBondContact NZ-O 2.92Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.29Å; L157-L183 HydrophobicContact CD1-CD1 4.15Å; I179-L183 HydrophobicContact CG2-CD1 4.26Å; P180-L183 HydrophobicContact CB-CD1 4.49Å; P180-L183 HydrophobicContact CB-CG 4.25Å; P180-L183 HydrophobicContact CG-CD1 4.36Å; P180-L183 PolarHBondContact O-N 3.33Å; K181-L183 PolarHBondContact O-N 2.93Å; L183-Y187 HydrophobicContact CD2-CD1 3.98Å; L183-Y187 HydrophobicContact CD2-CE1 3.71Å; L183-Y187 HydrophobicContact CD2-CE2 4.23Å; L183-Y187 HydrophobicContact CD2-CG 4.37Å; L183-F188 HydrophobicContact CB-CE2 4.26Å; L183-F188 HydrophobicContact CD2-CE2 4.36Å; L183-F188 HydrophobicContact CD2-CZ 4.04Å; L183-D220 HydrophobicContact CD2-CB 4.46Å; L183-V224 HydrophobicContact CD1-CG2 4.41Å | ||
| 184 | N | 95.8 | Very high | 90.6 | Very high | 64 Ų | 64 | 99.7 Ų | 99.7 | 34% | 0.342 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -123.7 | 177.9 | -179 | 65.8 | 15.4 | 0 | 0 | 0 | 111.8 | T182 T186 Y187 F188 | T182-N184 VanDerWaalsContact C-N 3.33Å; T182-N184 PolarHBondContact O-N 3.35Å; T182-N184 PolarHBondContact O-OD1 2.7Å; N184-T186 PolarHBondContact ND2-OG1 3.24Å; N184-T186 VanDerWaalsContact ND2-OG1 3.14Å; N184-T186 PolarHBondContact O-N 3.25Å; N184-T186 PolarHBondContact OD1-N 2.71Å; N184-T186 PolarHBondContact OD1-OG1 2.6Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 3.29Å; N184-Y187 WeakPolarHBondContact OD1-CB 3.45Å; N184-Y187 PolarHBondContact OD1-N 3.19Å; N184-F188 VanDerWaalsContact O-CD2 3.28Å; N184-F188 WeakPolarHBondContact O-CD2 3.4Å; N184-F188 PolarHBondContact O-N 3.3Å |
| 185 | D | 95.7 | Very high | 89.7 | Confident | 22 Ų | 22 | 108.1 Ų | 108.1 | 12% | 0.118 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30 | -179 | -82.5 | -66.9 | 0 | 0 | 0 | 114.3 | L139 S140 S141 R159 K189 | L139-D185 WeakPolarHBondContact CB-OD2 3.39Å; S140-D185 PolarHBondContact N-OD2 3.45Å; S140-D185 PolarHBondContact OG-OD2 2.74Å; S141-D185 VanDerWaalsContact CB-CG 3.46Å; S141-D185 VanDerWaalsContact CB-OD1 3.32Å; S141-D185 WeakPolarHBondContact CB-OD1 3.45Å; S141-D185 VanDerWaalsContact CB-OD2 3.24Å; S141-D185 WeakPolarHBondContact CB-OD2 3.44Å; S141-D185 PolarHBondContact N-OD2 2.96Å; S141-D185 PolarHBondContact OG-OD1 2.96Å; S141-D185 PolarHBondContact OG-OD2 2.83Å; R159-D185 IonicContact CZ-OD1 3.9Å; R159-D185 PolarHBondContact NH1-O 3.49Å; R159-D185 IonicContact NH1-OD1 2.85Å; R159-D185 PolarHBondContact NH1-OD1 3.03Å; D185-K189 PolarHBondContact O-N 3.26Å |
| 186 | T | 95.1 | Very high | 88.9 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -38.8 | 177.7 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | N184 F188 K189 | N184-T186 PolarHBondContact ND2-OG1 3.24Å; N184-T186 VanDerWaalsContact ND2-OG1 3.14Å; N184-T186 PolarHBondContact O-N 3.25Å; N184-T186 PolarHBondContact OD1-N 2.71Å; N184-T186 PolarHBondContact OD1-OG1 2.6Å; T186-F188 VanDerWaalsContact C-N 3.28Å; T186-F188 PolarHBondContact O-N 2.89Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.08Å; T186-K189 VanDerWaalsContact O-N 3.15Å |
| 187 | Y | 95.5 | Very high | 88.1 | Confident | 38 Ų | 38 | 115.5 Ų | 115.5 | 15% | 0.149 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -39.2 | 176.1 | -179.4 | -85.6 | 0 | 0 | 0 | 112.6 | L183 N184 R217 D220 | L183-Y187 HydrophobicContact CD2-CD1 3.98Å; L183-Y187 HydrophobicContact CD2-CE1 3.71Å; L183-Y187 HydrophobicContact CD2-CE2 4.23Å; L183-Y187 HydrophobicContact CD2-CG 4.37Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 3.29Å; N184-Y187 WeakPolarHBondContact OD1-CB 3.45Å; N184-Y187 PolarHBondContact OD1-N 3.19Å; Y187-R217 HydrophobicContact CE1-CG 4.01Å; Y187-R217 PolarHBondContact O-NH2 3.14Å; Y187-R217 WeakPolarHBondContact OH-CA 3.34Å; Y187-R217 WeakPolarHBondContact OH-CG 3.31Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.47Å; Y187-D220 VanDerWaalsContact CZ-OD2 3.26Å; Y187-D220 PolarHBondContact OH-OD2 3.08Å |
| 188 | F | 94.9 | Very high | 87.4 | Confident | 21 Ų | 21 | 122.3 Ų | 122.3 | 9% | 0.092 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | 4.8 | -179.5 | -64 | -72.9 | 0 | 0 | 0 | 114.1 | L139 L145 L157 R159 L183 N184 T186 | L139-F188 HydrophobicContact CD1-CD2 4.4Å; L145-F188 HydrophobicContact CD1-CD2 4.47Å; L145-F188 HydrophobicContact CD1-CE1 4.46Å; L145-F188 HydrophobicContact CD1-CE2 3.56Å; L145-F188 HydrophobicContact CD1-CZ 3.55Å; L157-F188 HydrophobicContact CB-CE1 4.16Å; L157-F188 HydrophobicContact CB-CZ 4.18Å; L157-F188 WeakPolarHBondContact O-CE1 3.34Å; R159-F188 HydrophobicContact CG-CB 3.81Å; R159-F188 HydrophobicContact CG-CD2 4.01Å; R159-F188 HydrophobicContact CG-CG 3.92Å; R159-F188 VanDerWaalsContact NE-CB 3.28Å; R159-F188 PolarHBondContact NH2-O 3.34Å; L183-F188 HydrophobicContact CB-CE2 4.26Å; L183-F188 HydrophobicContact CD2-CE2 4.36Å; L183-F188 HydrophobicContact CD2-CZ 4.04Å; N184-F188 VanDerWaalsContact O-CD2 3.28Å; N184-F188 WeakPolarHBondContact O-CD2 3.4Å; N184-F188 PolarHBondContact O-N 3.3Å; T186-F188 VanDerWaalsContact C-N 3.28Å; T186-F188 PolarHBondContact O-N 2.89Å |
| 189 | K | 93.8 | Very high | 86.2 | Confident | 151 Ų | 151 | 123 Ų | 123 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -70.3 | 133.8 | 176.2 | -168.1 | 175.1 | 178.6 | -177.2 | 0 | 108.8 | D185 T186 K191 | D185-K189 PolarHBondContact O-N 3.26Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.08Å; T186-K189 VanDerWaalsContact O-N 3.15Å; K189-K191 PolarHBondContact O-N 3.48Å |
| 190 | K | 90.3 | Very high | 84.9 | Confident | 187 Ų | 187 | 129.6 Ų | 129.6 | 81% | 0.813 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.9 | 173.9 | -69 | -173.9 | 175.8 | -172.6 | 0 | 108.7 | ||
| 191 | K | 87.1 | Confident | 83.4 | Confident | 189 Ų | 189 | 131.1 Ų | 131.1 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 135.7 | 167.1 | -63.3 | -175.1 | 179.1 | -177.3 | 0 | 107.4 | K189 | K189-K191 PolarHBondContact O-N 3.48Š|
| 192 | R | 83.1 | Confident | 82 | Confident | 229 Ų | 229 | 128.2 Ų | 128.2 | 86% | 0.864 | 60% | 0.602 | S | S | * | * | trans | -117.2 | 122.1 | 171.7 | -69.1 | -175.4 | 175.1 | -176.2 | -3.7 | 105.9 | ||||
| 193 | L | 77.8 | Confident | 80.7 | Confident | 124 Ų | 124 | 130.3 Ų | 130.3 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 156.2 | 171.7 | -62.9 | 173.7 | 0 | 0 | 0 | 109.1 | E209 | L193-E209 HydrophobicContact CD1-CG 4.4Š|
| 194 | R | 75.4 | Confident | 79.4 | Confident | 231 Ų | 231 | 139.3 Ų | 139.3 | 87% | 0.872 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 137.5 | 173.6 | -72.4 | -177.2 | 174.1 | 178.5 | -1.4 | 107.6 | ||
| 195 | K | 74 | Confident | 77.6 | Confident | 190 Ų | 190 | 142.4 Ų | 142.4 | 83% | 0.826 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 138.7 | 169.8 | -65.7 | -173 | 174.7 | -169 | 0 | 108.9 | ||
| 196 | P | 74.8 | Confident | 76.2 | Confident | 91 Ų | 91 | 145.2 Ų | 145.2 | 59% | 0.591 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 149.6 | 170.3 | 24.3 | -31.2 | 0 | 0 | 0 | 109.6 | H198 T206 | P196-H198 VanDerWaalsContact C-N 3.29Å; P196-H198 PolarHBondContact O-N 3.04Å; P196-T206 HydrophobicContact CG-CG2 4.2Å |
| 197 | R | 73.3 | Confident | 74.9 | Confident | 235 Ų | 235 | 149.1 Ų | 149.1 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -80.4 | -7.5 | -172 | -76.7 | -177.7 | 173.6 | 177.1 | -2.8 | 113.8 | ||
| 198 | H | 75.2 | Confident | 73.7 | Confident | 163 Ų | 163 | 156.5 Ų | 156.5 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -75.7 | 130.7 | -177.8 | -65.3 | -66.1 | 0 | 0 | 0 | 110.8 | P196 | P196-H198 VanDerWaalsContact C-N 3.29Å; P196-H198 PolarHBondContact O-N 3.04Å | ||
| 199 | Q | 67.3 | Low | 72.5 | Confident | 189 Ų | 189 | 162.3 Ų | 162.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -92.4 | -17.4 | -169.6 | -90.7 | 176 | -20.5 | 0 | 0 | 113.8 | ||||
| 200 | E | 64.3 | Low | 71.9 | Confident | 180 Ų | 180 | 164 Ų | 164 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -143.1 | 141 | -174.8 | -67.5 | -178.2 | 163.8 | 0 | 0 | 111.4 | ||
| 201 | G | 61 | Low | 71.5 | Confident | 71 Ų | 71 | 162 Ų | 162 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 109.9 | -56.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | I203 | G201-I203 PolarHBondContact O-N 3.21Š|
| 202 | E | 61 | Low | 71.5 | Confident | 138 Ų | 138 | 161 Ų | 161 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | trans | -102.1 | 41.5 | -167 | -63.9 | 179.6 | 169.8 | 0 | 0 | 113.6 | F204 | E202-F204 PolarHBondContact O-N 3.03Š| ||
| 203 | I | 65.3 | Low | 71.8 | Confident | 121 Ų | 121 | 154.7 Ų | 154.7 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -24.5 | -174.8 | -64.2 | 170.3 | 0 | 0 | 0 | 112 | G201 | G201-I203 PolarHBondContact O-N 3.21Š|
| 204 | F | 66.7 | Low | 72.6 | Confident | 189 Ų | 189 | 151.5 Ų | 151.5 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -14.7 | -173.9 | -63.1 | -75.1 | 0 | 0 | 0 | 114.6 | E202 | E202-F204 PolarHBondContact O-N 3.03Š|
| 205 | D | 57.9 | Low | 73.5 | Confident | 130 Ų | 130 | 147.4 Ų | 147.4 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -5.5 | 180 | -67.3 | -35.8 | 0 | 0 | 0 | 113.8 | E207 | D205-E207 PolarHBondContact O-N 3.31Š|
| 206 | T | 66.7 | Low | 74.4 | Confident | 81 Ų | 81 | 143.6 Ų | 143.6 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -67.7 | 105.4 | 168.4 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | P196 K208 | P196-T206 HydrophobicContact CG-CG2 4.2Å; T206-K208 PolarHBondContact O-N 2.87Å; T206-K208 VanDerWaalsContact O-N 3.14Å |
| 207 | E | 68.1 | Low | 75.4 | Confident | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | trans | -45.1 | 122.6 | 173.3 | -70 | -170.7 | 159.4 | 0 | 0 | 110.4 | D205 E209 | D205-E207 PolarHBondContact O-N 3.31Å; E207-E209 PolarHBondContact O-N 2.65Å | ||
| 208 | K | 69 | Low | 76.4 | Confident | 193 Ų | 193 | 136 Ų | 136 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | trans | -55.9 | 117.9 | 178.7 | -76.2 | -178.7 | -178.8 | 170.2 | 0 | 109.2 | T206 K210 | T206-K208 PolarHBondContact O-N 2.87Å; T206-K208 VanDerWaalsContact O-N 3.14Å; K208-K210 PolarHBondContact O-N 2.85Å | ||
| 209 | E | 71.4 | Confident | 77.4 | Confident | 142 Ų | 142 | 134.1 Ų | 134.1 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | trans | -53.5 | 98.9 | -178.4 | -63.6 | -178.8 | 179.1 | 0 | 0 | 111.6 | L193 E207 | L193-E209 HydrophobicContact CD1-CG 4.4Å; E207-E209 PolarHBondContact O-N 2.65Å | ||
| 210 | K | 79.7 | Confident | 78.7 | Confident | 186 Ų | 186 | 126.4 Ų | 126.4 | 81% | 0.809 | 61% | 0.611 | S | S | * | * | trans | -87.5 | 125.7 | 170.7 | -70.2 | 177.5 | -172.7 | 170.3 | 0 | 108.5 | K208 Q212 | K208-K210 PolarHBondContact O-N 2.85Å; K210-Q212 PolarHBondContact O-N 3.3Å; K210-Q212 VanDerWaalsContact O-N 3.13Å | ||
| 211 | Y | 83.1 | Confident | 80.2 | Confident | 147 Ų | 147 | 118.3 Ų | 118.3 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | trans | -64.3 | 115.6 | 174.9 | 172.8 | -102.1 | 0 | 0 | 0 | 110.3 | L213 R217 | Y211-L213 HydrophobicContact CE1-CB 4.48Å; Y211-L213 HydrophobicContact CE1-CD1 4.25Å; Y211-R217 WeakPolarHBondContact OH-CD 3.42Å; Y211-R217 PolarHBondContact OH-NH1 3.49Å | ||
| 212 | Q | 85.6 | Confident | 81.8 | Confident | 167 Ų | 167 | 122.1 Ų | 122.1 | 78% | 0.78 | 57% | 0.57 | S | S | * | * | trans | -89.6 | 135.6 | 170.6 | -66.6 | -177.5 | -5.5 | 0 | 0 | 110.7 | K210 T214 | K210-Q212 PolarHBondContact O-N 3.3Å; K210-Q212 VanDerWaalsContact O-N 3.13Å; Q212-T214 PolarHBondContact O-N 3.18Å | ||
| 213 | L | 90.1 | Very high | 83.5 | Confident | 97 Ų | 97 | 117.9 Ų | 117.9 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | trans | -79.6 | 114.4 | -179.7 | -177.7 | 63 | 0 | 0 | 0 | 110.3 | Y211 R217 K218 | Y211-L213 HydrophobicContact CE1-CB 4.48Å; Y211-L213 HydrophobicContact CE1-CD1 4.25Å; L213-R217 HydrophobicContact CD1-CB 3.79Å; L213-K218 HydrophobicContact CD2-CD 4.26Å; L213-K218 HydrophobicContact CD2-CG 3.65Å; L213-K218 HydrophobicContact CG-CG 3.93Å | ||
| 214 | T | 93.8 | Very high | 84.9 | Confident | 56 Ų | 56 | 112.2 Ų | 112.2 | 34% | 0.344 | 53% | 0.529 | S | S | . | . | trans | -68 | 143.6 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | Q212 Q216 R217 K218 | Q212-T214 PolarHBondContact O-N 3.18Å; T214-Q216 VanDerWaalsContact C-N 3.32Å; T214-Q216 PolarHBondContact O-N 3.12Å; T214-R217 WeakPolarHBondContact O-CB 3.29Å; T214-R217 PolarHBondContact O-N 3.26Å; T214-R217 WeakPolarHBondContact OG1-CG 3.41Å; T214-K218 PolarHBondContact O-N 3.42Å | ||
| 215 | E | 95.2 | Very high | 86.3 | Confident | 145 Ų | 145 | 103.8 Ų | 103.8 | 68% | 0.678 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.3 | -43.1 | 178.6 | -65.9 | 179 | 161.2 | 0 | 0 | 112.6 | R217 K218 E219 | E215-R217 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact O-N 3.08Å; E215-K218 WeakPolarHBondContact O-CA 3.47Å; E215-K218 VanDerWaalsContact O-CB 3.31Å; E215-K218 WeakPolarHBondContact O-CB 3.48Å; E215-K218 PolarHBondContact O-N 2.91Å; E215-E219 PolarHBondContact O-N 2.65Å |
| 216 | Q | 94 | Very high | 88.1 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -49.8 | -39.5 | 173.6 | -173.8 | -179.3 | 14.6 | 0 | 0 | 113.2 | T214 E219 D220 | T214-Q216 VanDerWaalsContact C-N 3.32Å; T214-Q216 PolarHBondContact O-N 3.12Å; Q216-E219 PolarHBondContact O-N 2.88Å; Q216-D220 WeakPolarHBondContact O-CB 3.45Å; Q216-D220 VanDerWaalsContact O-CG 3.28Å; Q216-D220 PolarHBondContact O-N 3.32Å |
| 217 | R | 94.3 | Very high | 89.5 | Confident | 66 Ų | 66 | 100.3 Ų | 100.3 | 25% | 0.249 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -72 | -30.7 | 178.6 | -85.5 | 177.3 | 174.7 | -159.8 | 2.7 | 112.6 | Y187 Y211 L213 T214 E215 Q221 | Y187-R217 HydrophobicContact CE1-CG 4.01Å; Y187-R217 PolarHBondContact O-NH2 3.14Å; Y187-R217 WeakPolarHBondContact OH-CA 3.34Å; Y187-R217 WeakPolarHBondContact OH-CG 3.31Å; Y211-R217 WeakPolarHBondContact OH-CD 3.42Å; Y211-R217 PolarHBondContact OH-NH1 3.49Å; L213-R217 HydrophobicContact CD1-CB 3.79Å; T214-R217 WeakPolarHBondContact O-CB 3.29Å; T214-R217 PolarHBondContact O-N 3.26Å; T214-R217 WeakPolarHBondContact OG1-CG 3.41Å; E215-R217 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact O-N 3.08Å; R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.49Å; R217-Q221 PolarHBondContact O-N 3.02Å |
| 218 | K | 95 | Very high | 90.7 | Very high | 101 Ų | 101 | 91.6 Ų | 91.6 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 175 | -61.7 | 176.1 | -177.8 | 171.5 | 0 | 109.9 | L213 T214 E215 Q221 K222 | L213-K218 HydrophobicContact CD2-CD 4.26Å; L213-K218 HydrophobicContact CD2-CG 3.65Å; L213-K218 HydrophobicContact CG-CG 3.93Å; T214-K218 PolarHBondContact O-N 3.42Å; E215-K218 WeakPolarHBondContact O-CA 3.47Å; E215-K218 VanDerWaalsContact O-CB 3.31Å; E215-K218 WeakPolarHBondContact O-CB 3.48Å; E215-K218 PolarHBondContact O-N 2.91Å; K218-Q221 PolarHBondContact O-N 3.35Å; K218-K222 VanDerWaalsContact O-CG 3.3Å; K218-K222 WeakPolarHBondContact O-CG 3.24Å; K218-K222 PolarHBondContact O-N 3.17Å |
| 219 | E | 95.4 | Very high | 92 | Very high | 124 Ų | 124 | 84.6 Ų | 84.6 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.2 | -50 | 178.9 | -68.2 | 172.7 | 179.7 | 0 | 0 | 112.2 | E215 Q216 Q221 K222 A223 | E215-E219 PolarHBondContact O-N 2.65Å; Q216-E219 PolarHBondContact O-N 2.88Å; E219-Q221 PolarHBondContact O-N 2.85Å; E219-K222 PolarHBondContact O-N 2.83Å; E219-K222 VanDerWaalsContact O-N 3.12Å; E219-A223 WeakPolarHBondContact O-CB 3.32Å; E219-A223 PolarHBondContact O-N 3.21Å |
| 220 | D | 95.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 80.8 Ų | 80.8 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.8 | -39.1 | 177.4 | -75 | -36.4 | 0 | 0 | 0 | 111.4 | L183 Y187 Q216 V224 | L183-D220 HydrophobicContact CD2-CB 4.46Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.47Å; Y187-D220 VanDerWaalsContact CZ-OD2 3.26Å; Y187-D220 PolarHBondContact OH-OD2 3.08Å; Q216-D220 WeakPolarHBondContact O-CB 3.45Å; Q216-D220 VanDerWaalsContact O-CG 3.28Å; Q216-D220 PolarHBondContact O-N 3.32Å; D220-V224 WeakPolarHBondContact O-CG2 3.39Å; D220-V224 PolarHBondContact O-N 3.16Å |
| 221 | Q | 96.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 74.1 Ų | 74.1 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -49.3 | 175.5 | -174.8 | 69.3 | 42.9 | 0 | 0 | 111.7 | T147 L150 R217 K218 E219 A223 V224 D225 | T147-Q221 PolarHBondContact OG1-NE2 3.07Å; L150-Q221 HydrophobicContact CB-CG 4.1Å; L150-Q221 HydrophobicContact CD2-CG 4.17Å; R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.49Å; R217-Q221 PolarHBondContact O-N 3.02Å; K218-Q221 PolarHBondContact O-N 3.35Å; E219-Q221 PolarHBondContact O-N 2.85Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.43Å; Q221-V224 PolarHBondContact O-N 2.94Å; Q221-D225 PolarHBondContact NE2-OD1 3.2Å; Q221-D225 PolarHBondContact NE2-OD2 3.19Å; Q221-D225 WeakPolarHBondContact O-CB 3.45Å; Q221-D225 PolarHBondContact O-N 3.18Å |
| 222 | K | 95.3 | Very high | 94.4 | Very high | 152 Ų | 152 | 67.2 Ų | 67.2 | 66% | 0.661 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 179 | -75.7 | 175 | -179.8 | -176.4 | 0 | 110.9 | K218 E219 V224 D225 A226 | K218-K222 VanDerWaalsContact O-CG 3.3Å; K218-K222 WeakPolarHBondContact O-CG 3.24Å; K218-K222 PolarHBondContact O-N 3.17Å; E219-K222 PolarHBondContact O-N 2.83Å; E219-K222 VanDerWaalsContact O-N 3.12Å; K222-V224 PolarHBondContact O-N 3.08Å; K222-D225 PolarHBondContact O-N 3.25Å; K222-A226 WeakPolarHBondContact O-CB 3.44Å; K222-A226 PolarHBondContact O-N 3.15Å |
| 223 | A | 95.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E219 Q221 Q227 | E219-A223 WeakPolarHBondContact O-CB 3.32Å; E219-A223 PolarHBondContact O-N 3.21Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.43Å; A223-Q227 PolarHBondContact O-NE2 2.82Å |
| 224 | V | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.9 | -45.3 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L136 T147 L157 M177 L183 D220 Q221 K222 A226 Q227 L228 | L136-V224 HydrophobicContact CD1-CG1 4.06Å; T147-V224 HydrophobicContact CG2-CG1 4.38Å; L157-V224 HydrophobicContact CD1-CB 4.34Å; L157-V224 HydrophobicContact CD1-CG2 4.09Å; L157-V224 HydrophobicContact CD2-CG1 4.35Å; M177-V224 HydrophobicContact SD-CG1 4.42Å; L183-V224 HydrophobicContact CD1-CG2 4.41Å; D220-V224 WeakPolarHBondContact O-CG2 3.39Å; D220-V224 PolarHBondContact O-N 3.16Å; Q221-V224 PolarHBondContact O-N 2.94Å; K222-V224 PolarHBondContact O-N 3.08Å; V224-A226 VanDerWaalsContact C-N 3.32Å; V224-A226 PolarHBondContact O-N 2.89Å; V224-Q227 PolarHBondContact O-N 2.89Å; V224-L228 PolarHBondContact O-N 3.39Å; V224-L228 VanDerWaalsContact O-N 3.13Å |
| 225 | D | 95.5 | Very high | 95 | Very high | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.064 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.8 | -34.4 | -178.8 | -74.1 | -10 | 0 | 0 | 0 | 112 | T147 L150 Q221 K222 Q227 L228 L229 | T147-D225 PolarHBondContact OG1-OD1 3.15Å; L150-D225 WeakPolarHBondContact CB-OD2 3.31Å; L150-D225 PolarHBondContact N-OD2 3.4Å; Q221-D225 PolarHBondContact NE2-OD1 3.2Å; Q221-D225 PolarHBondContact NE2-OD2 3.19Å; Q221-D225 WeakPolarHBondContact O-CB 3.45Å; Q221-D225 PolarHBondContact O-N 3.18Å; K222-D225 PolarHBondContact O-N 3.25Å; D225-Q227 VanDerWaalsContact C-N 3.26Å; D225-Q227 PolarHBondContact O-N 3.35Å; D225-L228 PolarHBondContact O-N 3.17Å; D225-L229 HydrophobicContact CB-CD1 4.36Å; D225-L229 WeakPolarHBondContact O-CB 3.38Å; D225-L229 WeakPolarHBondContact O-CG 3.28Å; D225-L229 PolarHBondContact O-N 2.67Å |
| 226 | A | 95.7 | Very high | 95 | Very high | 65 Ų | 65 | 69.8 Ų | 69.8 | 54% | 0.537 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -35.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K222 V224 P230 | K222-A226 WeakPolarHBondContact O-CB 3.44Å; K222-A226 PolarHBondContact O-N 3.15Å; V224-A226 VanDerWaalsContact C-N 3.32Å; V224-A226 PolarHBondContact O-N 2.89Å; A226-P230 WeakPolarHBondContact O-CD 3.48Å; A226-P230 WeakPolarHBondContact O-CG 3.48Å |
| 227 | Q | 95.6 | Very high | 95 | Very high | 74 Ų | 74 | 73.1 Ų | 73.1 | 35% | 0.346 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -78.3 | -34.7 | 176.1 | -68.3 | 173.3 | 63.4 | 0 | 0 | 112.1 | M177 K178 A223 V224 D225 | M177-Q227 HydrophobicContact CG-CB 3.89Å; M177-Q227 VanDerWaalsContact CG-OE1 3.28Å; M177-Q227 HydrophobicContact SD-CB 4.11Å; K178-Q227 VanDerWaalsContact N-OE1 3.08Å; A223-Q227 PolarHBondContact O-NE2 2.82Å; V224-Q227 PolarHBondContact O-N 2.89Å; D225-Q227 VanDerWaalsContact C-N 3.26Å; D225-Q227 PolarHBondContact O-N 3.35Å |
| 228 | L | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -85 | -34.4 | -172.5 | -172.9 | 60.3 | 0 | 0 | 0 | 113.6 | V134 T147 P149 I172 I174 M177 V224 D225 L231 I232 | V134-L228 HydrophobicContact CB-CD2 4.19Å; V134-L228 HydrophobicContact CG1-CD1 4.42Å; V134-L228 HydrophobicContact CG1-CD2 4.35Å; V134-L228 HydrophobicContact CG2-CD2 4.28Å; T147-L228 HydrophobicContact CG2-CD2 3.45Å; T147-L228 VanDerWaalsContact CG2-CD2 3.45Å; P149-L228 HydrophobicContact CG-CD2 3.97Å; P149-L228 HydrophobicContact CG-CG 4.45Å; I172-L228 HydrophobicContact CG2-CD1 4.47Å; I174-L228 HydrophobicContact CD1-CD1 3.82Å; I174-L228 HydrophobicContact CG1-CD1 4.29Å; M177-L228 HydrophobicContact SD-CB 4.39Å; V224-L228 PolarHBondContact O-N 3.39Å; V224-L228 VanDerWaalsContact O-N 3.13Å; D225-L228 PolarHBondContact O-N 3.17Å; L228-L231 HydrophobicContact CD1-CD1 4.49Å; L228-L231 WeakPolarHBondContact O-CB 3.09Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-I232 HydrophobicContact CD1-CD1 4.4Å; L228-I232 HydrophobicContact CD2-CD1 4.27Å; L228-I232 HydrophobicContact CG-CD1 3.78Å; L228-I232 HydrophobicContact CG-CG1 4.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.35Å; L228-I232 PolarHBondContact O-N 3.39Å |
| 229 | L | 95.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | -178.1 | -75.1 | 169.6 | 0 | 0 | 0 | 113.9 | P149 L152 D225 L231 I232 K233 | P149-L229 HydrophobicContact CB-CD2 3.8Å; P149-L229 HydrophobicContact CB-CG 4.4Å; P149-L229 HydrophobicContact CG-CD2 4.46Å; L152-L229 HydrophobicContact CD1-CD2 4.25Å; L152-L229 HydrophobicContact CG-CD2 4.27Å; D225-L229 HydrophobicContact CB-CD1 4.36Å; D225-L229 WeakPolarHBondContact O-CB 3.38Å; D225-L229 WeakPolarHBondContact O-CG 3.28Å; D225-L229 PolarHBondContact O-N 2.67Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.3Å; L229-I232 PolarHBondContact O-N 3.05Å; L229-K233 WeakPolarHBondContact O-CB 3.45Å; L229-K233 VanDerWaalsContact O-CG 3.29Å; L229-K233 WeakPolarHBondContact O-CG 3.01Å; L229-K233 PolarHBondContact O-N 2.99Å |
| 230 | P | 95.2 | Very high | 95.3 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 172.9 | -24.5 | 35.1 | 0 | 0 | 0 | 112.7 | A226 K233 K234 | A226-P230 WeakPolarHBondContact O-CD 3.48Å; A226-P230 WeakPolarHBondContact O-CG 3.48Å; P230-K233 WeakPolarHBondContact O-CB 3.11Å; P230-K233 PolarHBondContact O-N 2.81Å; P230-K234 WeakPolarHBondContact O-CG 3.38Å; P230-K234 PolarHBondContact O-N 2.97Å; P230-K234 VanDerWaalsContact O-N 3.16Å |
| 231 | L | 95.2 | Very high | 95.4 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 178.3 | -56.1 | 174.7 | 0 | 0 | 0 | 111.1 | I172 D173 L228 L229 K233 K234 | I172-L231 HydrophobicContact CG2-CB 3.96Å; D173-L231 WeakPolarHBondContact O-CD1 3.32Å; L228-L231 HydrophobicContact CD1-CD1 4.49Å; L228-L231 WeakPolarHBondContact O-CB 3.09Å; L228-L231 PolarHBondContact O-N 3.13Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.3Å; L231-K233 VanDerWaalsContact C-N 3.29Å; L231-K233 PolarHBondContact O-N 2.71Å; L231-K234 PolarHBondContact O-N 2.79Å |
| 232 | I | 95.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -31.3 | 175.6 | -67.4 | 165.9 | 0 | 0 | 0 | 112 | P149 L152 I172 L228 L229 K234 L238 K239 L242 | P149-I232 HydrophobicContact CG-CD1 3.37Å; L152-I232 HydrophobicContact CD1-CD1 4.5Å; L152-I232 HydrophobicContact CD1-CG2 4.24Å; I172-I232 HydrophobicContact CD1-CD1 4.41Å; I172-I232 HydrophobicContact CD1-CG1 3.8Å; L228-I232 HydrophobicContact CD1-CD1 4.4Å; L228-I232 HydrophobicContact CD2-CD1 4.27Å; L228-I232 HydrophobicContact CG-CD1 3.78Å; L228-I232 HydrophobicContact CG-CG1 4.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.35Å; L228-I232 PolarHBondContact O-N 3.39Å; L229-I232 PolarHBondContact O-N 3.05Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-L238 HydrophobicContact CB-CD2 4.47Å; I232-L238 HydrophobicContact CG1-CD2 4.35Å; I232-L238 HydrophobicContact CG2-CB 4.38Å; I232-L238 HydrophobicContact CG2-CD2 4.23Å; I232-L238 HydrophobicContact CG2-CG 4.18Å; I232-K239 HydrophobicContact CG2-CG 3.89Å; I232-L242 HydrophobicContact CD1-CD1 3.58Å; I232-L242 HydrophobicContact CG1-CD1 4.02Å; I232-L242 HydrophobicContact CG2-CD1 3.95Å |
| 233 | K | 94.6 | Very high | 95.5 | Very high | 134 Ų | 134 | 70 Ų | 70 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.5 | -31.1 | 176.9 | -83.9 | 170.5 | 179 | -169.3 | 0 | 112.8 | L229 P230 L231 E235 | L229-K233 WeakPolarHBondContact O-CB 3.45Å; L229-K233 VanDerWaalsContact O-CG 3.29Å; L229-K233 WeakPolarHBondContact O-CG 3.01Å; L229-K233 PolarHBondContact O-N 2.99Å; P230-K233 WeakPolarHBondContact O-CB 3.11Å; P230-K233 PolarHBondContact O-N 2.81Å; L231-K233 VanDerWaalsContact C-N 3.29Å; L231-K233 PolarHBondContact O-N 2.71Å; K233-E235 VanDerWaalsContact C-N 3.34Å |
| 234 | K | 94.5 | Very high | 95.6 | Very high | 166 Ų | 166 | 70.1 Ų | 70.1 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -37.1 | 179.1 | -71.4 | 175 | -179.7 | -171.9 | 0 | 111.8 | P230 L231 I232 | P230-K234 WeakPolarHBondContact O-CG 3.38Å; P230-K234 PolarHBondContact O-N 2.97Å; P230-K234 VanDerWaalsContact O-N 3.16Å; L231-K234 PolarHBondContact O-N 2.79Å; I232-K234 VanDerWaalsContact C-N 3.33Å |
| 235 | E | 92.9 | Very high | 95.7 | Very high | 116 Ų | 116 | 74.4 Ų | 74.4 | 54% | 0.542 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -82.1 | 124 | -179.9 | -159.4 | 67.9 | -161.7 | 0 | 0 | 110.9 | K233 L238 | K233-E235 VanDerWaalsContact C-N 3.34Å; E235-L238 HydrophobicContact CB-CB 3.87Å; E235-L238 HydrophobicContact CB-CD2 3.73Å; E235-L238 HydrophobicContact CB-CG 4.44Å; E235-L238 HydrophobicContact CG-CB 4.17Å; E235-L238 HydrophobicContact CG-CD2 4.12Å |
| 236 | P | 94.6 | Very high | 95.7 | Very high | 104 Ų | 104 | 75.9 Ų | 75.9 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 141.4 | -178.6 | 25.3 | -32.8 | 0 | 0 | 0 | 111 | L238 | P236-L238 PolarHBondContact O-N 2.84Š|
| 237 | Q | 94.5 | Very high | 95.8 | Very high | 179 Ų | 179 | 76.3 Ų | 76.3 | 84% | 0.836 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -4.7 | 176.7 | -55.4 | 179.8 | -11 | 0 | 0 | 117 | K239 G240 Y241 | Q237-K239 VanDerWaalsContact C-N 3.27Å; Q237-K239 PolarHBondContact O-N 3.01Å; Q237-G240 PolarHBondContact O-N 2.88Å; Q237-Y241 PolarHBondContact O-N 3.14Å; Q237-Y241 VanDerWaalsContact O-N 3.12Å |
| 238 | L | 96.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.9 | -30.3 | -175.7 | -172.8 | 62.5 | 0 | 0 | 0 | 113.2 | I172 I232 E235 P236 G240 Y241 L242 | I172-L238 HydrophobicContact CD1-CD2 3.85Å; I172-L238 HydrophobicContact CG1-CD2 3.71Å; I232-L238 HydrophobicContact CB-CD2 4.47Å; I232-L238 HydrophobicContact CG1-CD2 4.35Å; I232-L238 HydrophobicContact CG2-CB 4.38Å; I232-L238 HydrophobicContact CG2-CD2 4.23Å; I232-L238 HydrophobicContact CG2-CG 4.18Å; E235-L238 HydrophobicContact CB-CB 3.87Å; E235-L238 HydrophobicContact CB-CD2 3.73Å; E235-L238 HydrophobicContact CB-CG 4.44Å; E235-L238 HydrophobicContact CG-CB 4.17Å; E235-L238 HydrophobicContact CG-CD2 4.12Å; P236-L238 PolarHBondContact O-N 2.84Å; L238-G240 PolarHBondContact O-N 2.99Å; L238-Y241 HydrophobicContact CD1-CD1 3.91Å; L238-Y241 PolarHBondContact O-N 3.14Å; L238-L242 HydrophobicContact CD1-CG 4.44Å; L238-L242 HydrophobicContact CG-CD1 4.31Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CG 3.47Å; L238-L242 PolarHBondContact O-N 3.22Å |
| 239 | K | 96.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 81.4 Ų | 81.4 | 43% | 0.426 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 172.3 | -69.5 | 178.8 | -174.3 | 163.3 | 0 | 112.4 | I232 Q237 L242 R243 | I232-K239 HydrophobicContact CG2-CG 3.89Å; Q237-K239 VanDerWaalsContact C-N 3.27Å; Q237-K239 PolarHBondContact O-N 3.01Å; K239-L242 PolarHBondContact O-N 3.32Å; K239-R243 WeakPolarHBondContact O-CB 3.42Å; K239-R243 PolarHBondContact O-N 3.41Å; K239-R243 VanDerWaalsContact O-N 3.07Å |
| 240 | G | 97.1 | Very high | 96 | Very high | 46 Ų | 46 | 87.4 Ų | 87.4 | 47% | 0.474 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q237 L238 L242 R243 S244 | Q237-G240 PolarHBondContact O-N 2.88Å; L238-G240 PolarHBondContact O-N 2.99Å; G240-L242 PolarHBondContact O-N 3.1Å; G240-R243 PolarHBondContact O-N 2.81Å; G240-S244 PolarHBondContact O-N 3.38Å; G240-S244 PolarHBondContact O-OG 3.43Å |
| 241 | Y | 97.7 | Very high | 96 | Very high | 68 Ų | 68 | 87.4 Ų | 87.4 | 27% | 0.267 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.2 | -175.7 | -109.9 | 0 | 0 | 0 | 112.8 | V120 R132 Q237 L238 S244 | V120-Y241 HydrophobicContact CG1-CE1 4.01Å; R132-Y241 VanDerWaalsContact CD-CE1 3.4Å; R132-Y241 WeakPolarHBondContact CD-O 3.44Å; R132-Y241 VanDerWaalsContact CZ-CE2 3.49Å; R132-Y241 VanDerWaalsContact NE-CE2 3.32Å; R132-Y241 PolarHBondContact NH1-O 3.02Å; Q237-Y241 PolarHBondContact O-N 3.14Å; Q237-Y241 VanDerWaalsContact O-N 3.12Å; L238-Y241 HydrophobicContact CD1-CD1 3.91Å; L238-Y241 PolarHBondContact O-N 3.14Å; Y241-S244 PolarHBondContact O-OG 3.46Å; Y241-S244 VanDerWaalsContact O-OG 3.05Å |
| 242 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73 | -27.5 | 178.3 | -70.8 | 176.8 | 0 | 0 | 0 | 113.7 | V120 R132 V134 L152 N153 I232 L238 K239 G240 | V120-L242 HydrophobicContact CG1-CD2 3.88Å; V120-L242 HydrophobicContact CG2-CD2 4.2Å; R132-L242 HydrophobicContact CB-CD2 4.11Å; V134-L242 HydrophobicContact CG2-CD1 4.3Å; V134-L242 HydrophobicContact CG2-CD2 4.34Å; L152-L242 HydrophobicContact CD1-CB 4.36Å; L152-L242 HydrophobicContact CD1-CD1 4.3Å; N153-L242 WeakPolarHBondContact CB-O 3.29Å; N153-L242 PolarHBondContact ND2-O 2.82Å; I232-L242 HydrophobicContact CD1-CD1 3.58Å; I232-L242 HydrophobicContact CG1-CD1 4.02Å; I232-L242 HydrophobicContact CG2-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CG 4.44Å; L238-L242 HydrophobicContact CG-CD1 4.31Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CG 3.47Å; L238-L242 PolarHBondContact O-N 3.22Å; K239-L242 PolarHBondContact O-N 3.32Å; G240-L242 PolarHBondContact O-N 3.1Å |
| 243 | R | 97.1 | Very high | 96.1 | Very high | 189 Ų | 189 | 92.9 Ų | 92.9 | 71% | 0.713 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -76.8 | -33.9 | 176.5 | -174 | 171.8 | 177.8 | -178.1 | -1.3 | 112.2 | K239 G240 | K239-R243 WeakPolarHBondContact O-CB 3.42Å; K239-R243 PolarHBondContact O-N 3.41Å; K239-R243 VanDerWaalsContact O-N 3.07Å; G240-R243 PolarHBondContact O-N 2.81Å |
| 244 | S | 96.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 89.5 Ų | 89.5 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -73.3 | 150.8 | 179.1 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | R132 G240 Y241 | R132-S244 PolarHBondContact NH1-O 2.76Å; R132-S244 PolarHBondContact NH1-OG 3.16Å; G240-S244 PolarHBondContact O-N 3.38Å; G240-S244 PolarHBondContact O-OG 3.43Å; Y241-S244 PolarHBondContact O-OG 3.46Å; Y241-S244 VanDerWaalsContact O-OG 3.05Å |
| 245 | T | 96.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 88.7 Ų | 88.7 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | B | Isolated β-bridge | trans | -97.4 | 136.8 | 178.2 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | K131 | K131-T245 HydrophobicContact CG-CG2 4.3Å |
| 246 | F | 97.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 90.5 Ų | 90.5 | 19% | 0.193 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -73 | 130.1 | 168 | 177.1 | -105.1 | 0 | 0 | 0 | 110.6 | I122 G130 L248 L257 F259 | I122-F246 HydrophobicContact CD1-CB 4.16Å; I122-F246 HydrophobicContact CD1-CD1 4.38Å; I122-F246 HydrophobicContact CD1-CD2 4.08Å; I122-F246 HydrophobicContact CD1-CG 3.94Å; I122-F246 HydrophobicContact CG2-CB 3.68Å; I122-F246 HydrophobicContact CG2-CD1 3.88Å; I122-F246 HydrophobicContact CG2-CG 3.99Å; G130-F246 WeakPolarHBondContact CA-O 3.49Å; G130-F246 WeakPolarHBondContact O-CB 3.3Å; G130-F246 PolarHBondContact O-N 3.07Å; F246-L248 HydrophobicContact CE1-CD2 4.42Å; F246-L248 HydrophobicContact CE1-CG 4.45Å; F246-L248 HydrophobicContact CE2-CD2 4.36Å; F246-L248 HydrophobicContact CZ-CD2 3.67Å; F246-L248 HydrophobicContact CZ-CG 4.15Å; F246-L257 HydrophobicContact CE2-CD1 4.42Å; F246-L257 HydrophobicContact CZ-CD1 4.45Å; F246-F259 HydrophobicContact CE1-CE1 4.39Å; F246-F259 AromaticContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CZ 4.33Å; F246-F259 AromaticContact CZ-CE1 3.57Å; F246-F259 HydrophobicContact CZ-CE1 3.57Å; F246-F259 AromaticContact CZ-CZ 3.88Å; F246-F259 HydrophobicContact CZ-CZ 3.88Å |
| 247 | A | 96.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 88.5 Ų | 88.5 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | trans | -143.8 | 157.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 248 | L | 96.4 | Very high | 96.5 | Very high | 88 Ų | 88 | 86.3 Ų | 86.3 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 132.5 | 168.7 | -63.5 | 170.2 | 0 | 0 | 0 | 107.8 | F246 V252 P254 L257 | F246-L248 HydrophobicContact CE1-CD2 4.42Å; F246-L248 HydrophobicContact CE1-CG 4.45Å; F246-L248 HydrophobicContact CE2-CD2 4.36Å; F246-L248 HydrophobicContact CZ-CD2 3.67Å; F246-L248 HydrophobicContact CZ-CG 4.15Å; L248-V252 HydrophobicContact CD2-CG1 4.31Å; L248-P254 HydrophobicContact CD1-CG 3.48Å; L248-P254 VanDerWaalsContact CD1-CG 3.48Å; L248-P254 HydrophobicContact CD2-CG 3.97Å; L248-P254 HydrophobicContact CG-CG 4.39Å; L248-L257 HydrophobicContact CD2-CD1 3.87Å |
| 249 | T | 96.2 | Very high | 96.4 | Very high | 94 Ų | 94 | 88.6 Ų | 88.6 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 165.3 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | G251 V252 | T249-G251 PolarHBondContact O-N 3.49Å; T249-V252 PolarHBondContact O-N 2.82Å; T249-V252 VanDerWaalsContact O-N 3.11Å; T249-V252 WeakPolarHBondContact OG1-CG2 3.42Å |
| 250 | N | 96.6 | Very high | 96.5 | Very high | 171 Ų | 171 | 88.2 Ų | 88.2 | 91% | 0.914 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138.6 | 175.4 | -66.2 | -13.1 | 0 | 0 | 0 | 110.3 | V252 | N250-V252 VanDerWaalsContact C-N 3.29Å; N250-V252 PolarHBondContact O-N 2.77Å |
| 251 | G | 95.4 | Very high | 96.4 | Very high | 63 Ų | 63 | 90.4 Ų | 90.4 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -9.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T249 | T249-G251 PolarHBondContact O-N 3.49Š|
| 252 | V | 96.2 | Very high | 96.4 | Very high | 55 Ų | 55 | 91.6 Ų | 91.6 | 33% | 0.333 | 50% | 0.5 | S | S | . | . | trans | -100.4 | 110.1 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | L248 T249 N250 L257 | L248-V252 HydrophobicContact CD2-CG1 4.31Å; T249-V252 PolarHBondContact O-N 2.82Å; T249-V252 VanDerWaalsContact O-N 3.11Å; T249-V252 WeakPolarHBondContact OG1-CG2 3.42Å; N250-V252 VanDerWaalsContact C-N 3.29Å; N250-V252 PolarHBondContact O-N 2.77Å; V252-L257 HydrophobicContact CG1-CD1 3.72Å; V252-L257 HydrophobicContact CG1-CD2 3.64Å; V252-L257 HydrophobicContact CG1-CG 3.86Å | ||
| 253 | F | 96.6 | Very high | 96.3 | Very high | 107 Ų | 107 | 97 Ų | 97 | 47% | 0.469 | 53% | 0.529 | S | S | . | . | trans | -103 | 127.6 | -177.5 | -58.2 | -77.7 | 0 | 0 | 0 | 112.4 | H255 K256 L257 | F253-H255 WeakPolarHBondContact CB-CE1 3.3Å; F253-H255 AromaticContact CG-CE1 3.93Å; F253-H255 PolarHBondContact O-N 2.83Å; F253-H255 VanDerWaalsContact O-N 3.11Å; F253-K256 HydrophobicContact CB-CG 4.42Å; F253-K256 PolarHBondContact O-N 3.48Å; F253-L257 PolarHBondContact O-N 3.33Å | ||
| 254 | P | 95 | Very high | 96.3 | Very high | 64 Ų | 64 | 91.3 Ų | 91.3 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.2 | -176.1 | -28.6 | 35.5 | 0 | 0 | 0 | 115.8 | L248 K256 L257 | L248-P254 HydrophobicContact CD1-CG 3.48Å; L248-P254 VanDerWaalsContact CD1-CG 3.48Å; L248-P254 HydrophobicContact CD2-CG 3.97Å; L248-P254 HydrophobicContact CG-CG 4.39Å; P254-K256 VanDerWaalsContact C-N 3.26Å; P254-K256 PolarHBondContact O-N 2.84Å; P254-L257 PolarHBondContact O-N 3.18Å |
| 255 | H | 96.7 | Very high | 96.2 | Very high | 149 Ų | 149 | 93.9 Ų | 93.9 | 69% | 0.69 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19.2 | 178.8 | 65 | -94.1 | 0 | 0 | 0 | 113 | F253 | F253-H255 WeakPolarHBondContact CB-CE1 3.3Å; F253-H255 AromaticContact CG-CE1 3.93Å; F253-H255 PolarHBondContact O-N 2.83Å; F253-H255 VanDerWaalsContact O-N 3.11Å |
| 256 | K | 96.8 | Very high | 96.2 | Very high | 154 Ų | 154 | 94.2 Ų | 94.2 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -16.3 | 173.7 | -57.2 | -170.8 | 178.3 | -179.7 | 0 | 112.4 | F253 P254 | F253-K256 HydrophobicContact CB-CG 4.42Å; F253-K256 PolarHBondContact O-N 3.48Å; P254-K256 VanDerWaalsContact C-N 3.26Å; P254-K256 PolarHBondContact O-N 2.84Å |
| 257 | L | 96.3 | Very high | 96.1 | Very high | 61 Ų | 61 | 98.1 Ų | 98.1 | 32% | 0.319 | 55% | 0.553 | S | S | . | * | trans | -75.4 | 134.8 | 179.6 | -72.1 | -177.1 | 0 | 0 | 0 | 111.1 | F246 L248 V252 F253 P254 F259 | F246-L257 HydrophobicContact CE2-CD1 4.42Å; F246-L257 HydrophobicContact CZ-CD1 4.45Å; L248-L257 HydrophobicContact CD2-CD1 3.87Å; V252-L257 HydrophobicContact CG1-CD1 3.72Å; V252-L257 HydrophobicContact CG1-CD2 3.64Å; V252-L257 HydrophobicContact CG1-CG 3.86Å; F253-L257 PolarHBondContact O-N 3.33Å; P254-L257 PolarHBondContact O-N 3.18Å; L257-F259 HydrophobicContact CB-CD2 4.24Å; L257-F259 HydrophobicContact CB-CE2 3.7Å; L257-F259 HydrophobicContact CB-CZ 3.87Å; L257-F259 HydrophobicContact CD1-CE1 4.07Å; L257-F259 HydrophobicContact CD1-CE2 4.28Å; L257-F259 HydrophobicContact CD1-CZ 3.6Å; L257-F259 HydrophobicContact CG-CZ 4.42Å | ||
| 258 | V | 96 | Very high | 96 | Very high | 134 Ų | 134 | 100.2 Ų | 100.2 | 81% | 0.812 | 55% | 0.549 | S | S | * | . | trans | -97.5 | 117.3 | 165.1 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 259 | F | 94.2 | Very high | 96 | Very high | 62 Ų | 62 | 101.3 Ų | 101.3 | 27% | 0.272 | 56% | 0.557 | S | S | . | * | trans | -94 | 0 | -180 | -69 | -80.6 | 0 | 0 | 0 | 110.8 | I122 I166 T168 T169 F246 L257 | I122-F259 HydrophobicContact CD1-CD1 4.12Å; I122-F259 HydrophobicContact CD1-CE1 4.35Å; I166-F259 HydrophobicContact CD1-CD1 4.47Å; I166-F259 HydrophobicContact CD1-CE1 4.06Å; I166-F259 HydrophobicContact CD1-CZ 4.1Å; I166-F259 HydrophobicContact CG2-CB 3.67Å; I166-F259 HydrophobicContact CG2-CD1 3.74Å; I166-F259 HydrophobicContact CG2-CD2 4.08Å; I166-F259 HydrophobicContact CG2-CE1 4.36Å; I166-F259 HydrophobicContact CG2-CG 3.56Å; T168-F259 WeakPolarHBondContact CA-OXT 3.22Å; T168-F259 WeakPolarHBondContact CB-OXT 3.34Å; T169-F259 WeakPolarHBondContact CG2-O 3.3Å; T169-F259 PolarHBondContact N-O 3.28Å; T169-F259 PolarHBondContact N-OXT 3.01Å; T169-F259 PolarHBondContact OG1-OXT 3.15Å; F246-F259 HydrophobicContact CE1-CE1 4.39Å; F246-F259 AromaticContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CZ 4.33Å; F246-F259 AromaticContact CZ-CE1 3.57Å; F246-F259 HydrophobicContact CZ-CE1 3.57Å; F246-F259 AromaticContact CZ-CZ 3.88Å; F246-F259 HydrophobicContact CZ-CZ 3.88Å; L257-F259 HydrophobicContact CB-CD2 4.24Å; L257-F259 HydrophobicContact CB-CE2 3.7Å; L257-F259 HydrophobicContact CB-CZ 3.87Å; L257-F259 HydrophobicContact CD1-CE1 4.07Å; L257-F259 HydrophobicContact CD1-CE2 4.28Å; L257-F259 HydrophobicContact CD1-CZ 3.6Å; L257-F259 HydrophobicContact CG-CZ 4.42Å |
Retrieved 259 of 259 residues in 432.1 ms
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