| 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 | 53.8 | Low | 56.5 | Low | 218 Ų | 218 | 153.9 Ų | 153.9 | 100% | 1.074 | 83% | 0.827 | S | S | * | * | 0 | 121.3 | 0 | -84.9 | 72.7 | 172.7 | 0 | 0 | 108.6 | F3 | M1-F3 WeakPolarHBondContact O-CD2 3.21Š| |||
| 2 | D | 47.4 | Very low | 56.8 | Low | 134 Ų | 134 | 148 Ų | 148 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | trans | -71.2 | 127.1 | -177.8 | -120.6 | -71.9 | 0 | 0 | 0 | 112.2 | ||||
| 3 | F | 56.7 | Low | 56.9 | Low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 18.1 | -179.9 | -80.3 | -86.8 | 0 | 0 | 0 | 113 | M1 | M1-F3 WeakPolarHBondContact O-CD2 3.21Š| ||
| 4 | Q | 65.3 | Low | 57.4 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -2.9 | -168.2 | -73.2 | 179.7 | -9.6 | 0 | 0 | 116.2 | ||
| 5 | H | 54 | Low | 58.1 | Low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 33.5 | -175 | -75.9 | -74.4 | 0 | 0 | 0 | 115.6 | ||
| 6 | R | 57.5 | Low | 58.8 | Low | 236 Ų | 236 | 133.9 Ų | 133.9 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -94.9 | 103.4 | 166.4 | -152.7 | 172.2 | -169.6 | 106.1 | -1.1 | 108.9 | G8 | R6-G8 PolarHBondContact O-N 3.5Š| ||
| 7 | A | 61.4 | Low | 59.4 | Low | 115 Ų | 115 | 129 Ų | 129 | 95% | 0.95 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 77.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | G | 51.8 | Low | 60.5 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | trans | -86.2 | 112.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | R6 K10 | R6-G8 PolarHBondContact O-N 3.5Å; G8-K10 PolarHBondContact O-N 3.31Å | ||
| 9 | G | 59.8 | Low | 61.5 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 124.9 | 162 | 0 | 0 | 0 | 0 | 0 | 108.6 | T11 | G9-T11 PolarHBondContact O-N 3.14Š|
| 10 | K | 60.9 | Low | 62.6 | Low | 174 Ų | 174 | 120.7 Ų | 120.7 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129.7 | 179.9 | -71.1 | 178.6 | 177.9 | -180 | 0 | 108.4 | G8 G12 S13 | G8-K10 PolarHBondContact O-N 3.31Å; K10-G12 PolarHBondContact O-N 3.46Å; K10-G12 VanDerWaalsContact O-N 3.1Å; K10-S13 PolarHBondContact O-N 3.25Å; K10-S13 PolarHBondContact O-OG 2.95Å |
| 11 | T | 53.3 | Low | 63.5 | Low | 151 Ų | 151 | 120.5 Ų | 120.5 | 93% | 0.926 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 117 | 172.1 | 55 | 0 | 0 | 0 | 0 | 107.9 | G9 | G9-T11 PolarHBondContact O-N 3.14Š|
| 12 | G | 59.6 | Low | 65 | Low | 83 Ų | 83 | 112.8 Ų | 112.8 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101 | -5.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K10 G14 | K10-G12 PolarHBondContact O-N 3.46Å; K10-G12 VanDerWaalsContact O-N 3.1Å; G12-G14 PolarHBondContact O-N 3.1Å |
| 13 | S | 58.3 | Low | 66.7 | Low | 72 Ų | 72 | 109.9 Ų | 109.9 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -76.7 | 101.7 | 161.2 | 69.4 | 0 | 0 | 0 | 0 | 107.6 | K10 G15 | K10-S13 PolarHBondContact O-N 3.25Å; K10-S13 PolarHBondContact O-OG 2.95Å; S13-G15 PolarHBondContact O-N 3.02Å |
| 14 | G | 63.3 | Low | 68 | Low | 72 Ų | 72 | 109.1 Ų | 109.1 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | trans | -43.3 | 134.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | G12 | G12-G14 PolarHBondContact O-N 3.1Š| ||
| 15 | G | 68.1 | Low | 68.9 | Low | 72 Ų | 72 | 106.7 Ų | 106.7 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | trans | -50.6 | 152.7 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | S13 A17 | S13-G15 PolarHBondContact O-N 3.02Å; G15-A17 PolarHBondContact O-N 3.34Å | ||
| 16 | V | 69.8 | Low | 70.4 | Confident | 151 Ų | 151 | 105.8 Ų | 105.8 | 92% | 0.915 | 66% | 0.656 | S | S | * | * | trans | -54.6 | 116 | 173 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | S18 | V16-S18 PolarHBondContact O-N 2.81Š| ||
| 17 | A | 68.3 | Low | 71.5 | Confident | 50 Ų | 50 | 103 Ų | 103 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | trans | -50.4 | 130.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G15 E21 | G15-A17 PolarHBondContact O-N 3.34Å; A17-E21 HydrophobicContact CB-CB 4.18Å | ||
| 18 | S | 79.6 | Confident | 72.6 | Confident | 47 Ų | 47 | 102.4 Ų | 102.4 | 33% | 0.329 | 62% | 0.623 | S | S | . | * | trans | -56.7 | 153.5 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | V16 S20 E21 S22 | V16-S18 PolarHBondContact O-N 2.81Å; S18-S20 PolarHBondContact O-N 2.86Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-OG 2.79Å; S18-E21 VanDerWaalsContact CB-OE2 3.32Å; S18-E21 WeakPolarHBondContact CB-OE2 3.28Å; S18-E21 PolarHBondContact N-OE2 2.86Å; S18-E21 PolarHBondContact O-N 2.85Å; S18-E21 VanDerWaalsContact OG-CD 3.31Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.38Å; S18-E21 PolarHBondContact OG-N 2.85Å; S18-E21 PolarHBondContact OG-OE2 2.77Å; S18-S22 PolarHBondContact O-N 2.83Å; S18-S22 PolarHBondContact O-OG 2.91Å | ||
| 19 | S | 79.3 | Confident | 74.3 | Confident | 92 Ų | 92 | 107.3 Ų | 107.3 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -52.9 | -33.7 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 112 | N23 | S19-N23 WeakPolarHBondContact O-CB 3.5Å; S19-N23 PolarHBondContact O-N 3.26Å; S19-N23 PolarHBondContact O-ND2 2.88Å |
| 20 | S | 83.5 | Confident | 75.2 | Confident | 82 Ų | 82 | 109 Ų | 109 | 57% | 0.573 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -42 | 173.1 | 39.4 | 0 | 0 | 0 | 0 | 114.3 | S18 R24 | S18-S20 PolarHBondContact O-N 2.86Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-OG 2.79Å; S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 2.76Å; S20-R24 VanDerWaalsContact O-N 3.08Å |
| 21 | E | 83.1 | Confident | 76.1 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.8 | -44.1 | 179.8 | -73.3 | 166.3 | 121.8 | 0 | 0 | 110.6 | A17 S18 N23 R24 D25 | A17-E21 HydrophobicContact CB-CB 4.18Å; S18-E21 VanDerWaalsContact CB-OE2 3.32Å; S18-E21 WeakPolarHBondContact CB-OE2 3.28Å; S18-E21 PolarHBondContact N-OE2 2.86Å; S18-E21 PolarHBondContact O-N 2.85Å; S18-E21 VanDerWaalsContact OG-CD 3.31Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.38Å; S18-E21 PolarHBondContact OG-N 2.85Å; S18-E21 PolarHBondContact OG-OE2 2.77Å; E21-N23 VanDerWaalsContact C-N 3.29Å; E21-N23 PolarHBondContact O-N 2.73Å; E21-R24 WeakPolarHBondContact O-CB 3.49Å; E21-R24 PolarHBondContact O-N 3.16Å; E21-D25 PolarHBondContact O-N 3.13Å |
| 22 | S | 83.8 | Confident | 77.4 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -38.3 | 175.6 | -62 | 0 | 0 | 0 | 0 | 112.2 | S18 R26 | S18-S22 PolarHBondContact O-N 2.83Å; S18-S22 PolarHBondContact O-OG 2.91Å; S22-R26 VanDerWaalsContact O-CB 3.32Å; S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 PolarHBondContact O-N 2.83Å |
| 23 | N | 84.3 | Confident | 78.5 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 39% | 0.39 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.8 | -24.3 | 176.5 | -74.4 | -28.4 | 0 | 0 | 0 | 113.5 | S19 E21 R27 | S19-N23 WeakPolarHBondContact O-CB 3.5Å; S19-N23 PolarHBondContact O-N 3.26Å; S19-N23 PolarHBondContact O-ND2 2.88Å; E21-N23 VanDerWaalsContact C-N 3.29Å; E21-N23 PolarHBondContact O-N 2.73Å; N23-R27 WeakPolarHBondContact O-CG 3.27Å; N23-R27 PolarHBondContact O-N 3.24Å; N23-R27 PolarHBondContact O-NE 2.81Å; N23-R27 VanDerWaalsContact O-NE 3.16Å |
| 24 | R | 83.1 | Confident | 79.4 | Confident | 177 Ų | 177 | 102 Ų | 102 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75.6 | -49 | 174.1 | -174.3 | 179.7 | 173.4 | 130.2 | -0.9 | 110.1 | S20 E21 R26 R27 E28 | S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 2.76Å; S20-R24 VanDerWaalsContact O-N 3.08Å; E21-R24 WeakPolarHBondContact O-CB 3.49Å; E21-R24 PolarHBondContact O-N 3.16Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 2.98Å; R24-R27 PolarHBondContact O-N 3.14Å; R24-R27 VanDerWaalsContact O-N 3.12Å; R24-E28 PolarHBondContact O-N 3.44Å |
| 25 | D | 85.4 | Confident | 80 | Confident | 105 Ų | 105 | 101.1 Ų | 101.1 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.3 | -46.2 | 175.7 | -178 | 73.1 | 0 | 0 | 0 | 111.5 | E21 R27 E28 R29 | E21-D25 PolarHBondContact O-N 3.13Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.43Å; D25-E28 PolarHBondContact O-N 2.94Å; D25-R29 WeakPolarHBondContact O-CB 3.42Å; D25-R29 PolarHBondContact O-N 3.09Å |
| 26 | R | 84.4 | Confident | 80.5 | Confident | 167 Ų | 167 | 105.4 Ų | 105.4 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.6 | -43.9 | 174.8 | -173.6 | -175.6 | -68.7 | -165.2 | -1.4 | 112.6 | S22 R24 L30 | S22-R26 VanDerWaalsContact O-CB 3.32Å; S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 PolarHBondContact O-N 2.83Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 2.98Å; R26-L30 HydrophobicContact CG-CD1 4.19Å; R26-L30 WeakPolarHBondContact O-CB 3.49Å; R26-L30 VanDerWaalsContact O-CG 3.25Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.34Å |
| 27 | R | 81.4 | Confident | 80.9 | Confident | 176 Ų | 176 | 103.9 Ų | 103.9 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -40 | 178.9 | -84.9 | -175.6 | -76.7 | 173.9 | -6.1 | 112 | N23 R24 D25 R31 | N23-R27 WeakPolarHBondContact O-CG 3.27Å; N23-R27 PolarHBondContact O-N 3.24Å; N23-R27 PolarHBondContact O-NE 2.81Å; N23-R27 VanDerWaalsContact O-NE 3.16Å; R24-R27 PolarHBondContact O-N 3.14Å; R24-R27 VanDerWaalsContact O-N 3.12Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.43Å; R27-R31 WeakPolarHBondContact O-CB 3.27Å; R27-R31 PolarHBondContact O-N 3.22Å |
| 28 | E | 84.5 | Confident | 81.3 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.4 | -172.4 | 160.9 | -165.4 | 0 | 0 | 111.5 | R24 D25 R31 Q32 | R24-E28 PolarHBondContact O-N 3.44Å; D25-E28 PolarHBondContact O-N 2.94Å; E28-R31 WeakPolarHBondContact O-CB 3.46Å; E28-R31 PolarHBondContact O-N 2.74Å; E28-Q32 WeakPolarHBondContact O-CG 3.47Å; E28-Q32 PolarHBondContact O-N 3.24Å |
| 29 | R | 85.8 | Confident | 81.3 | Confident | 163 Ų | 163 | 106.1 Ų | 106.1 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 174.4 | -171.8 | 176.7 | -179.5 | 179 | 0.8 | 112.8 | D25 R31 Q32 L33 | D25-R29 WeakPolarHBondContact O-CB 3.42Å; D25-R29 PolarHBondContact O-N 3.09Å; R29-R31 VanDerWaalsContact C-N 3.26Å; R29-R31 PolarHBondContact O-N 2.9Å; R29-Q32 PolarHBondContact O-N 2.94Å; R29-L33 HydrophobicContact CG-CD1 4.3Å; R29-L33 WeakPolarHBondContact O-CG 3.35Å; R29-L33 PolarHBondContact O-N 3.31Å |
| 30 | L | 79.5 | Confident | 81.5 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -36.2 | 175.7 | -74.9 | 171.7 | 0 | 0 | 0 | 112 | R26 A34 | R26-L30 HydrophobicContact CG-CD1 4.19Å; R26-L30 WeakPolarHBondContact O-CB 3.49Å; R26-L30 VanDerWaalsContact O-CG 3.25Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.34Å; L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 2.99Å; L30-A34 VanDerWaalsContact O-N 3.09Å |
| 31 | R | 80.2 | Confident | 81.6 | Confident | 100 Ų | 100 | 104.6 Ų | 104.6 | 38% | 0.377 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.3 | -179.5 | -178.7 | 173.7 | 143.1 | -3 | 111.8 | R27 E28 R29 A34 L35 G67 | R27-R31 WeakPolarHBondContact O-CB 3.27Å; R27-R31 PolarHBondContact O-N 3.22Å; E28-R31 WeakPolarHBondContact O-CB 3.46Å; E28-R31 PolarHBondContact O-N 2.74Å; R29-R31 VanDerWaalsContact C-N 3.26Å; R29-R31 PolarHBondContact O-N 2.9Å; R31-A34 PolarHBondContact O-N 2.83Å; R31-L35 HydrophobicContact CG-CD1 4.1Å; R31-L35 WeakPolarHBondContact O-CG 3.29Å; R31-L35 PolarHBondContact O-N 2.93Å; R31-G67 VanDerWaalsContact NH2-N 3.17Å |
| 32 | Q | 81.2 | Confident | 81.7 | Confident | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.9 | -72.4 | 173.4 | 3.8 | 0 | 0 | 111.7 | E28 R29 A34 L35 E36 | E28-Q32 WeakPolarHBondContact O-CG 3.47Å; E28-Q32 PolarHBondContact O-N 3.24Å; R29-Q32 PolarHBondContact O-N 2.94Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 2.98Å; Q32-L35 PolarHBondContact O-N 3.1Å; Q32-L35 VanDerWaalsContact O-N 3.15Å; Q32-E36 PolarHBondContact O-N 3.33Å |
| 33 | L | 82.8 | Confident | 82 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 176.3 | -70.6 | 168.1 | 0 | 0 | 0 | 112.1 | R29 E36 T37 | R29-L33 HydrophobicContact CG-CD1 4.3Å; R29-L33 WeakPolarHBondContact O-CG 3.35Å; R29-L33 PolarHBondContact O-N 3.31Å; L33-E36 PolarHBondContact O-N 2.88Å; L33-T37 PolarHBondContact O-N 2.8Å; L33-T37 VanDerWaalsContact O-N 3.12Å; L33-T37 PolarHBondContact O-OG1 2.82Å |
| 34 | A | 76.3 | Confident | 82.3 | Confident | 36 Ų | 36 | 107.7 Ų | 107.7 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L30 R31 Q32 E36 T37 I38 | L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 2.99Å; L30-A34 VanDerWaalsContact O-N 3.09Å; R31-A34 PolarHBondContact O-N 2.83Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 2.98Å; A34-E36 VanDerWaalsContact C-N 3.35Å; A34-T37 PolarHBondContact O-N 2.98Å; A34-I38 PolarHBondContact O-N 3.18Å; A34-I38 VanDerWaalsContact O-N 3.08Å |
| 35 | L | 76.4 | Confident | 82.7 | Confident | 54 Ų | 54 | 101.3 Ų | 101.3 | 28% | 0.283 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 175.7 | -75.7 | 163.6 | 0 | 0 | 0 | 112.3 | R31 Q32 I40 E66 L70 | R31-L35 HydrophobicContact CG-CD1 4.1Å; R31-L35 WeakPolarHBondContact O-CG 3.29Å; R31-L35 PolarHBondContact O-N 2.93Å; Q32-L35 PolarHBondContact O-N 3.1Å; Q32-L35 VanDerWaalsContact O-N 3.15Å; L35-I40 HydrophobicContact CD2-CD1 3.55Å; L35-E66 HydrophobicContact CD2-CB 4.26Å; L35-L70 HydrophobicContact CD2-CD1 3.62Å; L35-L70 HydrophobicContact CG-CD1 4.04Å |
| 36 | E | 78.9 | Confident | 83.1 | Confident | 161 Ų | 161 | 98 Ų | 98 | 75% | 0.752 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.1 | -33.1 | 176.5 | -170 | 177.4 | -178 | 0 | 0 | 112.1 | Q32 L33 A34 | Q32-E36 PolarHBondContact O-N 3.33Å; L33-E36 PolarHBondContact O-N 2.88Å; A34-E36 VanDerWaalsContact C-N 3.35Å |
| 37 | T | 76.6 | Confident | 83.4 | Confident | 119 Ų | 119 | 94.6 Ų | 94.6 | 73% | 0.73 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -83 | -31.3 | -177.3 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | L33 A34 | L33-T37 PolarHBondContact O-N 2.8Å; L33-T37 VanDerWaalsContact O-N 3.12Å; L33-T37 PolarHBondContact O-OG1 2.82Å; A34-T37 PolarHBondContact O-N 2.98Å |
| 38 | I | 77.3 | Confident | 83.9 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -118.6 | 106.3 | -174.8 | -55 | 175 | 0 | 0 | 0 | 109.3 | A34 I40 L70 | A34-I38 PolarHBondContact O-N 3.18Å; A34-I38 VanDerWaalsContact O-N 3.08Å; I38-I40 PolarHBondContact O-N 2.89Å; I38-L70 HydrophobicContact CB-CD2 4.28Å; I38-L70 HydrophobicContact CD1-CD2 4.49Å; I38-L70 HydrophobicContact CG2-CD2 4Å |
| 39 | D | 80.4 | Confident | 84.1 | Confident | 72 Ų | 72 | 89.1 Ų | 89.1 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | trans | -71.3 | 102 | 170.3 | -176.6 | -1.3 | 0 | 0 | 0 | 110 | N41 K42 | D39-N41 PolarHBondContact O-N 3.4Å; D39-N41 WeakPolarHBondContact OD1-CB 3.48Å; D39-N41 PolarHBondContact OD1-N 2.81Å; D39-N41 VanDerWaalsContact OD1-N 3.08Å; D39-N41 PolarHBondContact OD1-ND2 2.85Å; D39-N41 VanDerWaalsContact OD1-ND2 3.15Å; D39-K42 HydrophobicContact CB-CD 3.99Å; D39-K42 HydrophobicContact CB-CG 4.2Å; D39-K42 PolarHBondContact O-N 2.81Å; D39-K42 VanDerWaalsContact O-N 3.12Å; D39-K42 WeakPolarHBondContact OD2-CE 3.43Å; D39-K42 IonicContact OD2-NZ 3.57Å | ||
| 40 | I | 83.1 | Confident | 84 | Confident | 13 Ų | 13 | 89.7 Ų | 89.7 | 7% | 0.067 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -59.2 | -29.1 | -178.1 | -60.1 | 175.6 | 0 | 0 | 0 | 111.5 | L35 I38 K42 D43 F46 E66 Y69 L70 | L35-I40 HydrophobicContact CD2-CD1 3.55Å; I38-I40 PolarHBondContact O-N 2.89Å; I40-K42 PolarHBondContact O-N 3.16Å; I40-D43 WeakPolarHBondContact O-CB 3.16Å; I40-D43 PolarHBondContact O-N 3.15Å; I40-F46 HydrophobicContact CG2-CB 4.34Å; I40-F46 HydrophobicContact CG2-CD1 3.74Å; I40-F46 HydrophobicContact CG2-CD2 3.38Å; I40-F46 HydrophobicContact CG2-CE1 3.72Å; I40-F46 HydrophobicContact CG2-CE2 3.35Å; I40-F46 HydrophobicContact CG2-CG 3.55Å; I40-F46 HydrophobicContact CG2-CZ 3.52Å; I40-E66 HydrophobicContact CD1-CB 3.84Å; I40-E66 HydrophobicContact CD1-CG 4.37Å; I40-Y69 HydrophobicContact CG2-CD1 4.02Å; I40-Y69 HydrophobicContact CG2-CE1 4.08Å; I40-L70 HydrophobicContact CD1-CD1 3.91Å; I40-L70 HydrophobicContact CD1-CD2 4.14Å; I40-L70 HydrophobicContact CD1-CG 3.83Å; I40-L70 HydrophobicContact CG1-CD1 4.32Å; I40-L70 HydrophobicContact CG1-CD2 3.78Å; I40-L70 HydrophobicContact CG1-CG 4.07Å |
| 41 | N | 84.8 | Confident | 84.4 | Confident | 130 Ų | 130 | 91.1 Ų | 91.1 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -72.1 | -15.2 | -178.1 | -56.5 | -72 | 0 | 0 | 0 | 113 | D39 | D39-N41 PolarHBondContact O-N 3.4Å; D39-N41 WeakPolarHBondContact OD1-CB 3.48Å; D39-N41 PolarHBondContact OD1-N 2.81Å; D39-N41 VanDerWaalsContact OD1-N 3.08Å; D39-N41 PolarHBondContact OD1-ND2 2.85Å; D39-N41 VanDerWaalsContact OD1-ND2 3.15Å |
| 42 | K | 86.4 | Confident | 84.6 | Confident | 167 Ų | 167 | 88 Ų | 88 | 73% | 0.726 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -85.2 | -9.3 | 176.2 | -67.8 | 177.9 | -176.3 | 159.3 | 0 | 113.2 | D39 I40 P44 | D39-K42 HydrophobicContact CB-CD 3.99Å; D39-K42 HydrophobicContact CB-CG 4.2Å; D39-K42 PolarHBondContact O-N 2.81Å; D39-K42 VanDerWaalsContact O-N 3.12Å; D39-K42 WeakPolarHBondContact OD2-CE 3.43Å; D39-K42 IonicContact OD2-NZ 3.57Å; I40-K42 PolarHBondContact O-N 3.16Å; K42-P44 WeakPolarHBondContact O-CD 3.45Å |
| 43 | D | 88.8 | Confident | 85.1 | Confident | 40 Ų | 40 | 84.4 Ų | 84.4 | 21% | 0.214 | 44% | 0.444 | C | S | . | . | trans | -75.1 | 116.8 | 176.9 | -176.4 | -16 | 0 | 0 | 0 | 110 | I40 Y45 F46 Y69 | I40-D43 WeakPolarHBondContact O-CB 3.16Å; I40-D43 PolarHBondContact O-N 3.15Å; D43-Y45 PolarHBondContact O-N 2.79Å; D43-Y45 PolarHBondContact OD1-N 3.02Å; D43-F46 HydrophobicContact CB-CB 3.93Å; D43-F46 WeakPolarHBondContact O-CB 3.26Å; D43-F46 PolarHBondContact O-N 3.42Å; D43-F46 VanDerWaalsContact O-N 3.11Å; D43-Y69 VanDerWaalsContact CG-OH 3.3Å; D43-Y69 PolarHBondContact OD2-OH 2.97Å | ||
| 44 | P | 91.5 | Very high | 85.5 | Confident | 103 Ų | 103 | 81.8 Ų | 81.8 | 67% | 0.669 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.6 | -178 | 28.5 | -36.5 | 0 | 0 | 0 | 113.6 | K42 | K42-P44 WeakPolarHBondContact O-CD 3.45Š|
| 45 | Y | 91.5 | Very high | 86.3 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3.8 | 179.2 | -54.2 | -53.9 | 0 | 0 | 0 | 113.8 | D43 K57 L58 L82 | D43-Y45 PolarHBondContact O-N 2.79Å; D43-Y45 PolarHBondContact OD1-N 3.02Å; Y45-K57 WeakPolarHBondContact O-CB 3.35Å; Y45-K57 PolarHBondContact O-N 2.78Å; Y45-L58 HydrophobicContact CD1-CB 4.04Å; Y45-L58 HydrophobicContact CD2-CB 4.13Å; Y45-L58 HydrophobicContact CD2-CD2 4.06Å; Y45-L58 HydrophobicContact CE2-CD2 4.09Å; Y45-L58 HydrophobicContact CG-CB 3.78Å; Y45-L82 HydrophobicContact CE2-CD1 4.17Å; Y45-L82 HydrophobicContact CE2-CG 4.44Å |
| 46 | F | 93.5 | Very high | 87.2 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.9 | 176.6 | 175.3 | -109.4 | 0 | 0 | 0 | 111.4 | I40 D43 Y54 Y69 | I40-F46 HydrophobicContact CG2-CB 4.34Å; I40-F46 HydrophobicContact CG2-CD1 3.74Å; I40-F46 HydrophobicContact CG2-CD2 3.38Å; I40-F46 HydrophobicContact CG2-CE1 3.72Å; I40-F46 HydrophobicContact CG2-CE2 3.35Å; I40-F46 HydrophobicContact CG2-CG 3.55Å; I40-F46 HydrophobicContact CG2-CZ 3.52Å; D43-F46 HydrophobicContact CB-CB 3.93Å; D43-F46 WeakPolarHBondContact O-CB 3.26Å; D43-F46 PolarHBondContact O-N 3.42Å; D43-F46 VanDerWaalsContact O-N 3.11Å; F46-Y54 AromaticContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CD1 3.49Å; F46-Y54 VanDerWaalsContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CE1 4.32Å; F46-Y54 HydrophobicContact CE2-CG 4.22Å; F46-Y54 AromaticContact CZ-CD1 3.54Å; F46-Y54 HydrophobicContact CZ-CD1 3.54Å; F46-Y54 AromaticContact CZ-CE1 3.98Å; F46-Y54 HydrophobicContact CZ-CE1 3.98Å; F46-Y69 WeakPolarHBondContact CA-OH 3.08Å; F46-Y69 HydrophobicContact CB-CE1 3.99Å; F46-Y69 HydrophobicContact CB-CE2 4.47Å; F46-Y69 WeakPolarHBondContact CB-OH 3.47Å; F46-Y69 AromaticContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD2 4.1Å; F46-Y69 AromaticContact CD2-CE1 3.57Å; F46-Y69 HydrophobicContact CD2-CE1 3.57Å; F46-Y69 AromaticContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CG 4.05Å; F46-Y69 AromaticContact CD2-CZ 3.68Å; F46-Y69 HydrophobicContact CE2-CD1 4.23Å; F46-Y69 HydrophobicContact CE2-CE1 4.46Å; F46-Y69 HydrophobicContact CE2-CG 4.36Å; F46-Y69 HydrophobicContact CG-CE1 4.18Å; F46-Y69 PolarHBondContact N-OH 3.16Å |
| 47 | M | 91 | Very high | 87.9 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 139.5 | 173 | -162.5 | 170.8 | -158.6 | 0 | 0 | 110.3 | E55 | M47-E55 HydrophobicContact CB-CB 4.45Å; M47-E55 PolarHBondContact N-O 3.14Å; M47-E55 VanDerWaalsContact N-O 3.1Å; M47-E55 PolarHBondContact O-N 2.52Å |
| 48 | K | 92.5 | Very high | 88.7 | Confident | 130 Ų | 130 | 73.4 Ų | 73.4 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.2 | 170.5 | -172.1 | 175.8 | -178.5 | 174.1 | 0 | 109.1 | Y54 | K48-Y54 HydrophobicContact CD-CE1 4.26Å; K48-Y54 HydrophobicContact CG-CD1 4.47Å; K48-Y54 HydrophobicContact CG-CE1 4.29Å |
| 49 | N | 87.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | trans | -73 | 158.8 | 176.1 | -80.3 | -5.2 | 0 | 0 | 0 | 112.2 | L51 G52 S53 E55 | N49-L51 PolarHBondContact O-N 2.84Å; N49-L51 VanDerWaalsContact O-N 3.13Å; N49-G52 PolarHBondContact O-N 3.5Å; N49-S53 PolarHBondContact N-O 3.26Å; N49-E55 VanDerWaalsContact CG-CD 3.42Å; N49-E55 VanDerWaalsContact CG-OE1 3.3Å; N49-E55 WeakPolarHBondContact ND2-CG 3.35Å; N49-E55 PolarHBondContact ND2-OE1 2.85Å; N49-E55 VanDerWaalsContact OD1-CG 3.28Å; N49-E55 WeakPolarHBondContact OD1-CG 3.37Å; N49-E55 PolarHBondContact OD1-OE1 2.82Å; N49-E55 PolarHBondContact OD1-OE2 2.85Å | ||
| 50 | H | 84.3 | Confident | 90 | Very high | 175 Ų | 175 | 74.5 Ų | 74.5 | 81% | 0.81 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.9 | 171.8 | 59 | -81.4 | 0 | 0 | 0 | 113.5 | ||
| 51 | L | 87 | Confident | 90.5 | Very high | 135 Ų | 135 | 75.3 Ų | 75.3 | 71% | 0.707 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.7 | 174.4 | -58.2 | 176.4 | 0 | 0 | 0 | 113.6 | N49 S53 | N49-L51 PolarHBondContact O-N 2.84Å; N49-L51 VanDerWaalsContact O-N 3.13Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.3Å |
| 52 | G | 85.6 | Confident | 90.9 | Very high | 34 Ų | 34 | 74.6 Ų | 74.6 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 78.9 | 2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N49 | N49-G52 PolarHBondContact O-N 3.5Š|
| 53 | S | 89.8 | Confident | 91.2 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | trans | -77.9 | 156.6 | 169.4 | -48.9 | 0 | 0 | 0 | 0 | 111.8 | N49 L51 | N49-S53 PolarHBondContact N-O 3.26Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.3Å | ||
| 54 | Y | 92.9 | Very high | 91.3 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.3 | -179.4 | -56.6 | -77.8 | 0 | 0 | 0 | 110.5 | F46 K48 L62 H63 E66 | F46-Y54 AromaticContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CD1 3.49Å; F46-Y54 VanDerWaalsContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CE1 4.32Å; F46-Y54 HydrophobicContact CE2-CG 4.22Å; F46-Y54 AromaticContact CZ-CD1 3.54Å; F46-Y54 HydrophobicContact CZ-CD1 3.54Å; F46-Y54 AromaticContact CZ-CE1 3.98Å; F46-Y54 HydrophobicContact CZ-CE1 3.98Å; K48-Y54 HydrophobicContact CD-CE1 4.26Å; K48-Y54 HydrophobicContact CG-CD1 4.47Å; K48-Y54 HydrophobicContact CG-CE1 4.29Å; Y54-L62 CarbonylContact O-C 3.55Å; Y54-H63 PolarHBondContact N-O 3.2Å; Y54-H63 PolarHBondContact O-N 2.85Å; Y54-E66 HydrophobicContact CD1-CG 4.17Å; Y54-E66 HydrophobicContact CD2-CG 4.25Å; Y54-E66 HydrophobicContact CE1-CG 3.55Å; Y54-E66 HydrophobicContact CE2-CG 3.67Å; Y54-E66 HydrophobicContact CG-CG 4.48Å; Y54-E66 PolarHBondContact OH-OE1 2.88Å; Y54-E66 VanDerWaalsContact OH-OE1 3.12Å |
| 55 | E | 92.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.4 | -179.7 | -52.4 | -159.8 | 147.9 | 0 | 0 | 112.4 | M47 N49 T61 L62 Y69 | M47-E55 HydrophobicContact CB-CB 4.45Å; M47-E55 PolarHBondContact N-O 3.14Å; M47-E55 VanDerWaalsContact N-O 3.1Å; M47-E55 PolarHBondContact O-N 2.52Å; N49-E55 VanDerWaalsContact CG-CD 3.42Å; N49-E55 VanDerWaalsContact CG-OE1 3.3Å; N49-E55 WeakPolarHBondContact ND2-CG 3.35Å; N49-E55 PolarHBondContact ND2-OE1 2.85Å; N49-E55 VanDerWaalsContact OD1-CG 3.28Å; N49-E55 WeakPolarHBondContact OD1-CG 3.37Å; N49-E55 PolarHBondContact OD1-OE1 2.82Å; N49-E55 PolarHBondContact OD1-OE2 2.85Å; E55-T61 WeakPolarHBondContact CA-O 3.31Å; E55-L62 HydrophobicContact CB-CD2 4.48Å; E55-L62 HydrophobicContact CG-CD2 3.55Å; E55-L62 WeakPolarHBondContact OE1-CD2 3.33Å; E55-Y69 WeakPolarHBondContact O-CE2 3.49Å |
| 56 | C | 94.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 106.7 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | L58 C59 L60 T61 Y69 H72 H78 | C56-L58 PolarHBondContact O-N 2.83Å; C56-C59 HydrophobicContact CB-CB 4.33Å; C56-C59 PolarHBondContact O-N 3.44Å; C56-L60 WeakPolarHBondContact O-CA 3.42Å; C56-L60 PolarHBondContact O-N 2.9Å; C56-T61 WeakPolarHBondContact CB-OG1 3.2Å; C56-T61 PolarHBondContact N-O 2.92Å; C56-T61 PolarHBondContact O-N 2.75Å; C56-Y69 HydrophobicContact CB-CD2 4.27Å; C56-Y69 HydrophobicContact CB-CE2 3.68Å; C56-H72 PolarHBondContact SG-NE2 3.17Å; C56-H72 VanDerWaalsContact SG-NE2 3.38Å; C56-H78 VanDerWaalsContact SG-CE1 3.53Å; C56-H78 PolarHBondContact SG-ND1 2.91Å |
| 57 | K | 93.8 | Very high | 90.6 | Very high | 124 Ų | 124 | 71 Ų | 71 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25 | -179 | -157 | -179.5 | -150 | -175.3 | 0 | 113.4 | Y45 | Y45-K57 WeakPolarHBondContact O-CB 3.35Å; Y45-K57 PolarHBondContact O-N 2.78Å |
| 58 | L | 93.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -37.7 | 176.9 | 178.6 | 61.7 | 0 | 0 | 0 | 112.1 | Y45 C56 N81 L82 R85 | Y45-L58 HydrophobicContact CD1-CB 4.04Å; Y45-L58 HydrophobicContact CD2-CB 4.13Å; Y45-L58 HydrophobicContact CD2-CD2 4.06Å; Y45-L58 HydrophobicContact CE2-CD2 4.09Å; Y45-L58 HydrophobicContact CG-CB 3.78Å; C56-L58 PolarHBondContact O-N 2.83Å; L58-N81 HydrophobicContact CD1-CB 4.12Å; L58-N81 HydrophobicContact CD2-CB 4.29Å; L58-N81 HydrophobicContact CG-CB 3.94Å; L58-L82 HydrophobicContact CD2-CB 3.75Å; L58-L82 HydrophobicContact CD2-CD1 4.19Å; L58-L82 HydrophobicContact CD2-CG 4.1Å; L58-R85 HydrophobicContact CD1-CB 4.24Å |
| 59 | C | 93.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 9% | 0.088 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -10.4 | -173.8 | -67.8 | 0 | 0 | 0 | 0 | 114.5 | C56 T61 H72 N81 | C56-C59 HydrophobicContact CB-CB 4.33Å; C56-C59 PolarHBondContact O-N 3.44Å; C59-T61 VanDerWaalsContact C-N 3.3Å; C59-T61 HydrophobicContact CB-CG2 4.01Å; C59-T61 PolarHBondContact O-N 3.1Å; C59-H72 WeakPolarHBondContact CB-NE2 3.19Å; C59-H72 PolarHBondContact SG-NE2 3.01Å; C59-N81 PolarHBondContact SG-ND2 2.69Å; C59-N81 VanDerWaalsContact SG-ND2 3.41Å |
| 60 | L | 93.1 | Very high | 90.5 | Very high | 154 Ų | 154 | 61.6 Ų | 61.6 | 81% | 0.806 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 46.8 | -172 | -52.4 | 178.3 | 0 | 0 | 0 | 111.7 | C56 | C56-L60 WeakPolarHBondContact O-CA 3.42Å; C56-L60 PolarHBondContact O-N 2.9Å |
| 61 | T | 92.3 | Very high | 90.8 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.6 | 179.6 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | E55 C56 C59 H63 H72 | E55-T61 WeakPolarHBondContact CA-O 3.31Å; C56-T61 WeakPolarHBondContact CB-OG1 3.2Å; C56-T61 PolarHBondContact N-O 2.92Å; C56-T61 PolarHBondContact O-N 2.75Å; C59-T61 VanDerWaalsContact C-N 3.3Å; C59-T61 HydrophobicContact CB-CG2 4.01Å; C59-T61 PolarHBondContact O-N 3.1Å; T61-H63 PolarHBondContact OG1-NE2 3.3Å; T61-H72 PolarHBondContact OG1-CE1 3.29Å; T61-H72 PolarHBondContact OG1-NE2 2.96Å |
| 62 | L | 93.8 | Very high | 91.1 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 60% | 0.602 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140 | 175 | -57.3 | 177.7 | 0 | 0 | 0 | 109.9 | Y54 E55 | Y54-L62 CarbonylContact O-C 3.55Å; E55-L62 HydrophobicContact CB-CD2 4.48Å; E55-L62 HydrophobicContact CG-CD2 3.55Å; E55-L62 WeakPolarHBondContact OE1-CD2 3.33Å |
| 63 | H | 92.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.5 | -180 | -60.3 | -77.2 | 0 | 0 | 0 | 109.5 | Y54 T61 N65 S68 Y69 H72 | Y54-H63 PolarHBondContact N-O 3.2Å; Y54-H63 PolarHBondContact O-N 2.85Å; T61-H63 PolarHBondContact OG1-NE2 3.3Å; H63-N65 VanDerWaalsContact C-N 3.3Å; H63-N65 PolarHBondContact O-N 2.97Å; H63-S68 PolarHBondContact ND1-O 2.96Å; H63-S68 PolarHBondContact ND1-OG 3.1Å; H63-S68 VanDerWaalsContact ND1-OG 3.1Å; H63-Y69 AromaticContact CD2-CD2 3.78Å; H63-H72 WeakPolarHBondContact CE1-CB 3.38Å; H63-H72 AromaticContact CE1-CG 3.42Å; H63-H72 VanDerWaalsContact CE1-CG 3.42Å; H63-H72 AromaticContact CE1-ND1 3.78Å; H63-H72 AromaticContact NE2-CD2 3.65Å; H63-H72 AromaticContact NE2-CG 3.45Å; H63-H72 AromaticContact NE2-ND1 3.92Å |
| 64 | N | 91 | Very high | 91.3 | Very high | 147 Ų | 147 | 55.1 Ų | 55.1 | 79% | 0.786 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -76.7 | -21.4 | -176.6 | -63.6 | 0.6 | 0 | 0 | 0 | 112.4 | ||
| 65 | N | 88.9 | Confident | 91.3 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -147.2 | 154.7 | -177.8 | 59.2 | 34.5 | 0 | 0 | 0 | 111.2 | H63 G67 S68 Y69 | H63-N65 VanDerWaalsContact C-N 3.3Å; H63-N65 PolarHBondContact O-N 2.97Å; N65-G67 PolarHBondContact O-N 2.83Å; N65-S68 WeakPolarHBondContact O-CB 3.47Å; N65-S68 PolarHBondContact O-N 2.86Å; N65-S68 WeakPolarHBondContact OD1-CA 3.41Å; N65-S68 WeakPolarHBondContact OD1-CB 3.29Å; N65-S68 PolarHBondContact OD1-N 3.49Å; N65-Y69 PolarHBondContact O-N 3.12Å |
| 66 | E | 86.1 | Confident | 91.4 | Very high | 71 Ų | 71 | 60.9 Ų | 60.9 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58 | -36.5 | -177.8 | -64.2 | 174.1 | 172.8 | 0 | 0 | 112.4 | L35 I40 Y54 S68 Y69 L70 | L35-E66 HydrophobicContact CD2-CB 4.26Å; I40-E66 HydrophobicContact CD1-CB 3.84Å; I40-E66 HydrophobicContact CD1-CG 4.37Å; Y54-E66 HydrophobicContact CD1-CG 4.17Å; Y54-E66 HydrophobicContact CD2-CG 4.25Å; Y54-E66 HydrophobicContact CE1-CG 3.55Å; Y54-E66 HydrophobicContact CE2-CG 3.67Å; Y54-E66 HydrophobicContact CG-CG 4.48Å; Y54-E66 PolarHBondContact OH-OE1 2.88Å; Y54-E66 VanDerWaalsContact OH-OE1 3.12Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.7Å; E66-Y69 WeakPolarHBondContact O-CB 3.49Å; E66-Y69 PolarHBondContact O-N 3.01Å; E66-L70 PolarHBondContact O-N 3.09Å |
| 67 | G | 86.8 | Confident | 91.4 | Very high | 15 Ų | 15 | 67 Ų | 67 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R31 N65 Y69 L70 A71 | R31-G67 VanDerWaalsContact NH2-N 3.17Å; N65-G67 PolarHBondContact O-N 2.83Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; G67-L70 PolarHBondContact O-N 2.83Å; G67-A71 WeakPolarHBondContact O-CB 3.31Å; G67-A71 PolarHBondContact O-N 2.96Å |
| 68 | S | 89.3 | Confident | 91.5 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | H63 N65 E66 H72 | H63-S68 PolarHBondContact ND1-O 2.96Å; H63-S68 PolarHBondContact ND1-OG 3.1Å; H63-S68 VanDerWaalsContact ND1-OG 3.1Å; N65-S68 WeakPolarHBondContact O-CB 3.47Å; N65-S68 PolarHBondContact O-N 2.86Å; N65-S68 WeakPolarHBondContact OD1-CA 3.41Å; N65-S68 WeakPolarHBondContact OD1-CB 3.29Å; N65-S68 PolarHBondContact OD1-N 3.49Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.7Å; S68-H72 VanDerWaalsContact O-CB 3.31Å; S68-H72 WeakPolarHBondContact O-CB 3.33Å; S68-H72 PolarHBondContact O-N 3.17Å |
| 69 | Y | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 172.6 | 179.6 | -93.1 | 0 | 0 | 0 | 111.4 | I40 D43 F46 E55 C56 H63 N65 E66 G67 A71 H72 T73 | I40-Y69 HydrophobicContact CG2-CD1 4.02Å; I40-Y69 HydrophobicContact CG2-CE1 4.08Å; D43-Y69 VanDerWaalsContact CG-OH 3.3Å; D43-Y69 PolarHBondContact OD2-OH 2.97Å; F46-Y69 WeakPolarHBondContact CA-OH 3.08Å; F46-Y69 HydrophobicContact CB-CE1 3.99Å; F46-Y69 HydrophobicContact CB-CE2 4.47Å; F46-Y69 WeakPolarHBondContact CB-OH 3.47Å; F46-Y69 AromaticContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD2 4.1Å; F46-Y69 AromaticContact CD2-CE1 3.57Å; F46-Y69 HydrophobicContact CD2-CE1 3.57Å; F46-Y69 AromaticContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CG 4.05Å; F46-Y69 AromaticContact CD2-CZ 3.68Å; F46-Y69 HydrophobicContact CE2-CD1 4.23Å; F46-Y69 HydrophobicContact CE2-CE1 4.46Å; F46-Y69 HydrophobicContact CE2-CG 4.36Å; F46-Y69 HydrophobicContact CG-CE1 4.18Å; F46-Y69 PolarHBondContact N-OH 3.16Å; E55-Y69 WeakPolarHBondContact O-CE2 3.49Å; C56-Y69 HydrophobicContact CB-CD2 4.27Å; C56-Y69 HydrophobicContact CB-CE2 3.68Å; H63-Y69 AromaticContact CD2-CD2 3.78Å; N65-Y69 PolarHBondContact O-N 3.12Å; E66-Y69 WeakPolarHBondContact O-CB 3.49Å; E66-Y69 PolarHBondContact O-N 3.01Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-A71 PolarHBondContact O-N 3.15Å; Y69-H72 WeakPolarHBondContact O-CA 3.31Å; Y69-H72 VanDerWaalsContact O-CB 3.31Å; Y69-H72 WeakPolarHBondContact O-CB 3.07Å; Y69-H72 PolarHBondContact O-N 3.34Å; Y69-T73 HydrophobicContact CD1-CG2 4.2Å; Y69-T73 HydrophobicContact CE1-CG2 3.63Å; Y69-T73 HydrophobicContact CE2-CG2 4.43Å; Y69-T73 PolarHBondContact O-N 3.28Å |
| 70 | L | 89.4 | Confident | 91.5 | Very high | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.9 | -77 | 176.4 | 0 | 0 | 0 | 113.1 | L35 I38 I40 E66 G67 H72 T73 | L35-L70 HydrophobicContact CD2-CD1 3.62Å; L35-L70 HydrophobicContact CG-CD1 4.04Å; I38-L70 HydrophobicContact CB-CD2 4.28Å; I38-L70 HydrophobicContact CD1-CD2 4.49Å; I38-L70 HydrophobicContact CG2-CD2 4Å; I40-L70 HydrophobicContact CD1-CD1 3.91Å; I40-L70 HydrophobicContact CD1-CD2 4.14Å; I40-L70 HydrophobicContact CD1-CG 3.83Å; I40-L70 HydrophobicContact CG1-CD1 4.32Å; I40-L70 HydrophobicContact CG1-CD2 3.78Å; I40-L70 HydrophobicContact CG1-CG 4.07Å; E66-L70 PolarHBondContact O-N 3.09Å; G67-L70 PolarHBondContact O-N 2.83Å; L70-H72 PolarHBondContact O-N 2.81Å; L70-T73 PolarHBondContact O-N 2.72Å; L70-T73 PolarHBondContact O-OG1 3.16Å |
| 71 | A | 90.3 | Very high | 91.6 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -31.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G67 Y69 G75 | G67-A71 WeakPolarHBondContact O-CB 3.31Å; G67-A71 PolarHBondContact O-N 2.96Å; Y69-A71 PolarHBondContact O-N 3.15Å; A71-G75 PolarHBondContact O-N 2.88Å |
| 72 | H | 92.7 | Very high | 91.7 | Very high | 31 Ų | 31 | 64 Ų | 64 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 177.3 | 168.5 | 81.7 | 0 | 0 | 0 | 112.9 | C56 C59 T61 H63 S68 Y69 L70 Q74 G75 H78 | C56-H72 PolarHBondContact SG-NE2 3.17Å; C56-H72 VanDerWaalsContact SG-NE2 3.38Å; C59-H72 WeakPolarHBondContact CB-NE2 3.19Å; C59-H72 PolarHBondContact SG-NE2 3.01Å; T61-H72 PolarHBondContact OG1-CE1 3.29Å; T61-H72 PolarHBondContact OG1-NE2 2.96Å; H63-H72 WeakPolarHBondContact CE1-CB 3.38Å; H63-H72 AromaticContact CE1-CG 3.42Å; H63-H72 VanDerWaalsContact CE1-CG 3.42Å; H63-H72 AromaticContact CE1-ND1 3.78Å; H63-H72 AromaticContact NE2-CD2 3.65Å; H63-H72 AromaticContact NE2-CG 3.45Å; H63-H72 AromaticContact NE2-ND1 3.92Å; S68-H72 VanDerWaalsContact O-CB 3.31Å; S68-H72 WeakPolarHBondContact O-CB 3.33Å; S68-H72 PolarHBondContact O-N 3.17Å; Y69-H72 WeakPolarHBondContact O-CA 3.31Å; Y69-H72 VanDerWaalsContact O-CB 3.31Å; Y69-H72 WeakPolarHBondContact O-CB 3.07Å; Y69-H72 PolarHBondContact O-N 3.34Å; L70-H72 PolarHBondContact O-N 2.81Å; H72-Q74 PolarHBondContact O-N 2.91Å; H72-G75 WeakPolarHBondContact O-CA 3.41Å; H72-G75 PolarHBondContact O-N 3.4Å; H72-H78 AromaticContact CD2-ND1 3.59Å; H72-H78 AromaticContact NE2-CG 3.96Å; H72-H78 AromaticContact NE2-ND1 3.31Å; H72-H78 PolarHBondContact NE2-ND1 2.93Å; H72-H78 VanDerWaalsContact O-CB 3.26Å; H72-H78 WeakPolarHBondContact O-CB 3.37Å |
| 73 | T | 91.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -32.5 | 179.9 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | Y69 L70 G75 H78 Q79 | Y69-T73 HydrophobicContact CD1-CG2 4.2Å; Y69-T73 HydrophobicContact CE1-CG2 3.63Å; Y69-T73 HydrophobicContact CE2-CG2 4.43Å; Y69-T73 PolarHBondContact O-N 3.28Å; L70-T73 PolarHBondContact O-N 2.72Å; L70-T73 PolarHBondContact O-OG1 3.16Å; T73-G75 PolarHBondContact O-N 2.85Å; T73-H78 PolarHBondContact O-CD2 2.73Å; T73-Q79 PolarHBondContact O-NE2 2.83Å |
| 74 | Q | 89.4 | Confident | 91.7 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.5 | 172.5 | -60.8 | 175.9 | 17.6 | 0 | 0 | 113.2 | H72 | H72-Q74 PolarHBondContact O-N 2.91Š|
| 75 | G | 92.9 | Very high | 91.8 | Very high | 24 Ų | 24 | 66 Ų | 66 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -74.7 | 146.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A71 H72 T73 K77 H78 Q79 | A71-G75 PolarHBondContact O-N 2.88Å; H72-G75 WeakPolarHBondContact O-CA 3.41Å; H72-G75 PolarHBondContact O-N 3.4Å; T73-G75 PolarHBondContact O-N 2.85Å; G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.43Å; G75-H78 PolarHBondContact O-N 3.01Å; G75-H78 VanDerWaalsContact O-N 3.09Å; G75-Q79 PolarHBondContact O-N 2.75Å |
| 76 | K | 94.6 | Very high | 91.9 | Very high | 181 Ų | 181 | 65.3 Ų | 65.3 | 79% | 0.787 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -54 | -40.6 | -179.1 | -172.1 | 174.5 | -177.8 | 178.1 | 0 | 113.2 | H78 Q79 T80 | K76-H78 PolarHBondContact O-N 2.68Å; K76-Q79 PolarHBondContact O-N 2.81Å; K76-T80 HydrophobicContact CG-CG2 4.35Å; K76-T80 WeakPolarHBondContact O-CG2 3.23Å; K76-T80 PolarHBondContact O-N 2.99Å; K76-T80 PolarHBondContact O-OG1 2.97Å |
| 77 | K | 94.7 | Very high | 92.1 | Very high | 131 Ų | 131 | 64.3 Ų | 64.3 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 179.4 | -174.3 | 179.7 | 176.7 | -175 | 0 | 111.6 | G75 T80 N81 | G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.43Å; K77-T80 WeakPolarHBondContact CA-OG1 3.08Å; K77-T80 PolarHBondContact O-N 2.82Å; K77-T80 PolarHBondContact O-OG1 2.91Å; K77-N81 PolarHBondContact O-N 3.13Å; K77-N81 VanDerWaalsContact O-N 3.08Å |
| 78 | H | 94.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.023 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 178.4 | -174.9 | 100 | 0 | 0 | 0 | 111.2 | C56 H72 T73 G75 K76 T80 N81 L82 | C56-H78 VanDerWaalsContact SG-CE1 3.53Å; C56-H78 PolarHBondContact SG-ND1 2.91Å; H72-H78 AromaticContact CD2-ND1 3.59Å; H72-H78 AromaticContact NE2-CG 3.96Å; H72-H78 AromaticContact NE2-ND1 3.31Å; H72-H78 PolarHBondContact NE2-ND1 2.93Å; H72-H78 VanDerWaalsContact O-CB 3.26Å; H72-H78 WeakPolarHBondContact O-CB 3.37Å; T73-H78 PolarHBondContact O-CD2 2.73Å; G75-H78 PolarHBondContact O-N 3.01Å; G75-H78 VanDerWaalsContact O-N 3.09Å; K76-H78 PolarHBondContact O-N 2.68Å; H78-T80 PolarHBondContact O-N 2.97Å; H78-N81 PolarHBondContact O-N 3.43Å; H78-N81 VanDerWaalsContact O-N 3.16Å; H78-L82 PolarHBondContact O-N 2.88Å |
| 79 | Q | 94.7 | Very high | 92.1 | Very high | 100 Ų | 100 | 73 Ų | 73 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.4 | -63.4 | -59.5 | -35.7 | 0 | 0 | 112.7 | T73 G75 K76 N81 L82 A83 | T73-Q79 PolarHBondContact O-NE2 2.83Å; G75-Q79 PolarHBondContact O-N 2.75Å; K76-Q79 PolarHBondContact O-N 2.81Å; Q79-N81 PolarHBondContact O-N 3.21Å; Q79-L82 PolarHBondContact O-N 2.63Å; Q79-A83 PolarHBondContact O-N 2.83Å |
| 80 | T | 93.8 | Very high | 91.7 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 176.7 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | K76 K77 H78 L82 R84 | K76-T80 HydrophobicContact CG-CG2 4.35Å; K76-T80 WeakPolarHBondContact O-CG2 3.23Å; K76-T80 PolarHBondContact O-N 2.99Å; K76-T80 PolarHBondContact O-OG1 2.97Å; K77-T80 WeakPolarHBondContact CA-OG1 3.08Å; K77-T80 PolarHBondContact O-N 2.82Å; K77-T80 PolarHBondContact O-OG1 2.91Å; H78-T80 PolarHBondContact O-N 2.97Å; T80-L82 VanDerWaalsContact C-N 3.35Å; T80-R84 WeakPolarHBondContact O-CB 3.46Å; T80-R84 PolarHBondContact O-N 3.05Å |
| 81 | N | 93.9 | Very high | 91.4 | Very high | 35 Ų | 35 | 84.7 Ų | 84.7 | 19% | 0.187 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.4 | -35.1 | 176.2 | -76.8 | -12.1 | 0 | 0 | 0 | 111.5 | L58 C59 K77 H78 Q79 R84 R85 | L58-N81 HydrophobicContact CD1-CB 4.12Å; L58-N81 HydrophobicContact CD2-CB 4.29Å; L58-N81 HydrophobicContact CG-CB 3.94Å; C59-N81 PolarHBondContact SG-ND2 2.69Å; C59-N81 VanDerWaalsContact SG-ND2 3.41Å; K77-N81 PolarHBondContact O-N 3.13Å; K77-N81 VanDerWaalsContact O-N 3.08Å; H78-N81 PolarHBondContact O-N 3.43Å; H78-N81 VanDerWaalsContact O-N 3.16Å; Q79-N81 PolarHBondContact O-N 3.21Å; N81-R84 PolarHBondContact O-N 3.1Å; N81-R85 WeakPolarHBondContact O-CB 3.32Å; N81-R85 PolarHBondContact O-N 3.3Å |
| 82 | L | 94.3 | Very high | 90.6 | Very high | 64 Ų | 64 | 88.2 Ų | 88.2 | 34% | 0.335 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 176.9 | -156.4 | 151.9 | 0 | 0 | 0 | 110.4 | Y45 L58 H78 Q79 T80 R84 R85 A86 | Y45-L82 HydrophobicContact CE2-CD1 4.17Å; Y45-L82 HydrophobicContact CE2-CG 4.44Å; L58-L82 HydrophobicContact CD2-CB 3.75Å; L58-L82 HydrophobicContact CD2-CD1 4.19Å; L58-L82 HydrophobicContact CD2-CG 4.1Å; H78-L82 PolarHBondContact O-N 2.88Å; Q79-L82 PolarHBondContact O-N 2.63Å; T80-L82 VanDerWaalsContact C-N 3.35Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.26Å; L82-R85 PolarHBondContact O-N 3.11Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.82Å |
| 83 | A | 93 | Very high | 89.7 | Confident | 61 Ų | 61 | 89.1 Ų | 89.1 | 50% | 0.504 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q79 A86 A87 | Q79-A83 PolarHBondContact O-N 2.83Å; A83-A86 PolarHBondContact O-N 3.42Å; A83-A87 WeakPolarHBondContact O-CB 3.03Å; A83-A87 PolarHBondContact O-N 2.84Å |
| 84 | R | 94 | Very high | 88.3 | Confident | 176 Ų | 176 | 94 Ų | 94 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 176.9 | -169.6 | -177.5 | -61.2 | -173.6 | 0.6 | 112.1 | T80 N81 L82 A87 K88 | T80-R84 WeakPolarHBondContact O-CB 3.46Å; T80-R84 PolarHBondContact O-N 3.05Å; N81-R84 PolarHBondContact O-N 3.1Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.26Å; R84-A87 PolarHBondContact O-N 2.68Å; R84-K88 PolarHBondContact O-N 3.46Å |
| 85 | R | 91.9 | Very high | 86.9 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 176.3 | -176.3 | 169.7 | -68.6 | -177.9 | -0.9 | 110.8 | L58 N81 L82 A87 K88 E89 | L58-R85 HydrophobicContact CD1-CB 4.24Å; N81-R85 WeakPolarHBondContact O-CB 3.32Å; N81-R85 PolarHBondContact O-N 3.3Å; L82-R85 PolarHBondContact O-N 3.11Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 2.9Å; R85-K88 PolarHBondContact O-N 3.33Å; R85-E89 HydrophobicContact CG-CG 4.34Å; R85-E89 WeakPolarHBondContact CG-OE1 3.34Å; R85-E89 WeakPolarHBondContact O-CB 3.4Å; R85-E89 WeakPolarHBondContact O-CG 3.34Å; R85-E89 PolarHBondContact O-N 3.06Å |
| 86 | A | 91.3 | Very high | 85.2 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.6 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L82 A83 A90 | L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.82Å; A83-A86 PolarHBondContact O-N 3.42Å; A86-A90 VanDerWaalsContact O-CB 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.11Å; A86-A90 PolarHBondContact O-N 2.81Å |
| 87 | A | 90.1 | Very high | 83.1 | Confident | 51 Ų | 51 | 95.7 Ų | 95.7 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A83 R84 R85 K91 | A83-A87 WeakPolarHBondContact O-CB 3.03Å; A83-A87 PolarHBondContact O-N 2.84Å; R84-A87 PolarHBondContact O-N 2.68Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 2.9Å; A87-K91 VanDerWaalsContact O-CG 3.31Å; A87-K91 WeakPolarHBondContact O-CG 3.16Å; A87-K91 PolarHBondContact O-N 2.97Å |
| 88 | K | 89.8 | Confident | 81.4 | Confident | 134 Ų | 134 | 93 Ų | 93 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.5 | -45.6 | 175 | -169.6 | -176.1 | 176.7 | -161.6 | 0 | 110.7 | R84 R85 A90 K91 E92 | R84-K88 PolarHBondContact O-N 3.46Å; R85-K88 PolarHBondContact O-N 3.33Å; K88-A90 VanDerWaalsContact C-N 3.29Å; K88-A90 PolarHBondContact O-N 2.93Å; K88-K91 CarbonylContact O-C 3.54Å; K88-K91 WeakPolarHBondContact O-CB 3.49Å; K88-K91 PolarHBondContact O-N 3.43Å; K88-E92 VanDerWaalsContact CE-OE2 3.28Å; K88-E92 WeakPolarHBondContact CE-OE2 2.69Å; K88-E92 IonicContact NZ-OE2 3.77Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.28Å; K88-E92 PolarHBondContact O-N 2.81Å |
| 89 | E | 86.6 | Confident | 79.7 | Confident | 112 Ų | 112 | 98.5 Ų | 98.5 | 52% | 0.523 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -35 | 175.1 | -73.4 | 173 | 177.2 | 0 | 0 | 111.7 | R85 K91 E92 A93 | R85-E89 HydrophobicContact CG-CG 4.34Å; R85-E89 WeakPolarHBondContact CG-OE1 3.34Å; R85-E89 WeakPolarHBondContact O-CB 3.4Å; R85-E89 WeakPolarHBondContact O-CG 3.34Å; R85-E89 PolarHBondContact O-N 3.06Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.05Å; E89-E92 PolarHBondContact O-N 3.29Å; E89-A93 WeakPolarHBondContact O-CA 3.33Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 3.37Å |
| 90 | A | 84.1 | Confident | 77.9 | Confident | 76 Ų | 76 | 100.9 Ų | 100.9 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68 | -27.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A86 K88 | A86-A90 VanDerWaalsContact O-CB 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.11Å; A86-A90 PolarHBondContact O-N 2.81Å; K88-A90 VanDerWaalsContact C-N 3.29Å; K88-A90 PolarHBondContact O-N 2.93Å |
| 91 | K | 81.3 | Confident | 76.3 | Confident | 183 Ų | 183 | 106.5 Ų | 106.5 | 80% | 0.796 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84.5 | -31.6 | 175.6 | -73 | 176 | 179 | -173.1 | 0 | 113.1 | A87 K88 E89 | A87-K91 VanDerWaalsContact O-CG 3.31Å; A87-K91 WeakPolarHBondContact O-CG 3.16Å; A87-K91 PolarHBondContact O-N 2.97Å; K88-K91 CarbonylContact O-C 3.54Å; K88-K91 WeakPolarHBondContact O-CB 3.49Å; K88-K91 PolarHBondContact O-N 3.43Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.05Å |
| 92 | E | 75.4 | Confident | 74.8 | Confident | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -94.4 | -15 | -178.3 | -163.4 | 172.6 | 163.2 | 0 | 0 | 112 | K88 E89 | K88-E92 VanDerWaalsContact CE-OE2 3.28Å; K88-E92 WeakPolarHBondContact CE-OE2 2.69Å; K88-E92 IonicContact NZ-OE2 3.77Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.28Å; K88-E92 PolarHBondContact O-N 2.81Å; E89-E92 PolarHBondContact O-N 3.29Å |
| 93 | A | 72.8 | Confident | 73.2 | Confident | 51 Ų | 51 | 115.9 Ų | 115.9 | 42% | 0.421 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -49.3 | 125.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | E89 A95 | E89-A93 WeakPolarHBondContact O-CA 3.33Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 3.37Å; A93-A95 PolarHBondContact O-N 3.26Å |
| 94 | P | 62.1 | Low | 71.7 | Confident | 120 Ų | 120 | 118.3 Ų | 118.3 | 78% | 0.779 | 65% | 0.645 | S | S | * | * | trans | -51.6 | 122.9 | -178.9 | 20.5 | -30.5 | 0 | 0 | 0 | 106.3 | Q96 | P94-Q96 PolarHBondContact O-N 2.83Š| ||
| 95 | A | 58.7 | Low | 70.3 | Confident | 88 Ų | 88 | 118.4 Ų | 118.4 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -40.6 | 121.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | A93 P97 | A93-A95 PolarHBondContact O-N 3.26Å; A95-P97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | Q | 58.1 | Low | 69.2 | Low | 171 Ų | 171 | 120.1 Ų | 120.1 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -28.8 | 123.7 | 164.9 | -78.5 | -81.7 | 6.6 | 0 | 0 | 106.8 | P94 A98 | P94-Q96 PolarHBondContact O-N 2.83Å; Q96-A98 PolarHBondContact O-N 3.22Å |
| 97 | P | 50.2 | Low | 68.2 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 69% | 0.685 | S | S | * | * | trans | -45 | 115.6 | -171.5 | 17.4 | -30.2 | 0 | 0 | 0 | 107.1 | A95 | A95-P97 VanDerWaalsContact O-N 3.1Š| ||
| 98 | A | 59.2 | Low | 67.1 | Low | 74 Ų | 74 | 133 Ų | 133 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | trans | -43.7 | 137.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | Q96 E100 | Q96-A98 PolarHBondContact O-N 3.22Å; A98-E100 PolarHBondContact O-N 2.78Å | ||
| 99 | P | 57.8 | Low | 66.2 | Low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -38.6 | 118.1 | -169.5 | 14.8 | -31 | 0 | 0 | 0 | 108.9 | K101 | P99-K101 PolarHBondContact O-N 3.5Š|
| 100 | E | 58.2 | Low | 66 | Low | 150 Ų | 150 | 131.9 Ų | 131.9 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -41.3 | 107.2 | -169 | -177.6 | 166.6 | -172.2 | 0 | 0 | 108 | A98 V102 | A98-E100 PolarHBondContact O-N 2.78Å; E100-V102 PolarHBondContact O-N 2.72Å | ||
| 101 | K | 60.4 | Low | 66.2 | Low | 185 Ų | 185 | 134.8 Ų | 134.8 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -53.8 | 113.1 | 175.3 | -69.9 | -178.3 | -178.5 | -178.8 | 0 | 104 | P99 K103 | P99-K101 PolarHBondContact O-N 3.5Å; K101-K103 PolarHBondContact O-N 3.49Å | ||
| 102 | V | 60.9 | Low | 66.6 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -37.3 | 107.6 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 107 | E100 V104 | E100-V102 PolarHBondContact O-N 2.72Å; V102-V104 HydrophobicContact CG1-CG2 4.44Å; V102-V104 PolarHBondContact O-N 3.25Å | ||
| 103 | K | 61.1 | Low | 67.4 | Low | 171 Ų | 171 | 124.2 Ų | 124.2 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | -66.4 | 90.8 | 173 | -98.1 | 175.2 | 176 | 168.6 | 0 | 104.3 | K101 E105 | K101-K103 PolarHBondContact O-N 3.49Å; K103-E105 PolarHBondContact O-N 3.15Å | ||
| 104 | V | 62.8 | Low | 68.5 | Low | 112 Ų | 112 | 131.1 Ų | 131.1 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | trans | -58.9 | 108.6 | 168.1 | 179.4 | 0 | 0 | 0 | 0 | 104.4 | V102 V106 | V102-V104 HydrophobicContact CG1-CG2 4.44Å; V102-V104 PolarHBondContact O-N 3.25Å; V104-V106 PolarHBondContact O-N 3.08Å | ||
| 105 | E | 64.3 | Low | 70.1 | Confident | 177 Ų | 177 | 125.6 Ų | 125.6 | 83% | 0.827 | 65% | 0.653 | S | S | * | * | trans | -57.1 | 107.4 | 171.9 | -76.8 | -172.3 | 157.3 | 0 | 0 | 107.2 | K103 K107 | K103-E105 PolarHBondContact O-N 3.15Å; E105-K107 PolarHBondContact O-N 3.2Å | ||
| 106 | V | 69.2 | Low | 71.9 | Confident | 118 Ų | 118 | 123.6 Ų | 123.6 | 72% | 0.715 | 64% | 0.64 | S | S | * | * | trans | -68.4 | 103.2 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 105.9 | V104 K108 | V104-V106 PolarHBondContact O-N 3.08Å; V106-K108 PolarHBondContact O-N 3.07Å | ||
| 107 | K | 69.3 | Low | 73.7 | Confident | 161 Ų | 161 | 122.4 Ų | 122.4 | 70% | 0.7 | 63% | 0.629 | S | S | * | * | trans | -54 | 128.7 | 172.4 | -76.3 | 178.2 | -179.2 | 177.9 | 0 | 107.9 | E105 F109 | E105-K107 PolarHBondContact O-N 3.2Å; K107-F109 HydrophobicContact CB-CD2 4.15Å; K107-F109 HydrophobicContact CB-CE2 3.28Å; K107-F109 HydrophobicContact CB-CZ 3.72Å; K107-F109 HydrophobicContact CD-CZ 4.14Å; K107-F109 WeakPolarHBondContact O-CD2 2.96Å; K107-F109 WeakPolarHBondContact O-CE2 3.37Å | ||
| 108 | K | 67.6 | Low | 76 | Confident | 211 Ų | 211 | 123 Ų | 123 | 92% | 0.917 | 62% | 0.62 | S | S | * | * | trans | -87.1 | 115.2 | 179.8 | -70.2 | 179.6 | -178.9 | 173.1 | 0 | 108.5 | V106 | V106-K108 PolarHBondContact O-N 3.07Š| ||
| 109 | F | 70.8 | Confident | 77.8 | Confident | 93 Ų | 93 | 122.2 Ų | 122.2 | 41% | 0.408 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -103.4 | 148.7 | 176.1 | -62.6 | -96.9 | 0 | 0 | 0 | 110.8 | K107 K111 E174 P175 | K107-F109 HydrophobicContact CB-CD2 4.15Å; K107-F109 HydrophobicContact CB-CE2 3.28Å; K107-F109 HydrophobicContact CB-CZ 3.72Å; K107-F109 HydrophobicContact CD-CZ 4.14Å; K107-F109 WeakPolarHBondContact O-CD2 2.96Å; K107-F109 WeakPolarHBondContact O-CE2 3.37Å; F109-K111 PolarHBondContact O-N 3.22Å; F109-E174 HydrophobicContact CB-CG 4.1Å; F109-E174 HydrophobicContact CD2-CG 3.65Å; F109-E174 WeakPolarHBondContact CD2-OE1 3.14Å; F109-E174 WeakPolarHBondContact CD2-OE2 3.28Å; F109-E174 HydrophobicContact CE2-CG 4.23Å; F109-E174 WeakPolarHBondContact CE2-OE1 3.32Å; F109-E174 HydrophobicContact CG-CG 3.92Å; F109-E174 VanDerWaalsContact CZ-OE1 3.28Å; F109-E174 WeakPolarHBondContact CZ-OE1 3.36Å; F109-P175 HydrophobicContact CB-CB 4.19Å |
| 110 | V | 82.4 | Confident | 79.6 | Confident | 131 Ų | 131 | 118.4 Ų | 118.4 | 79% | 0.794 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.8 | 168.7 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | ||
| 111 | K | 87.3 | Confident | 81.4 | Confident | 136 Ų | 136 | 120.1 Ų | 120.1 | 59% | 0.591 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 128.6 | -179.4 | -66.1 | -177.8 | -179.1 | 176.6 | 0 | 110.5 | F109 P175 E177 | F109-K111 PolarHBondContact O-N 3.22Å; K111-P175 WeakPolarHBondContact CA-O 3.4Å; K111-E177 HydrophobicContact CD-CG 4.27Å |
| 112 | I | 89.4 | Confident | 83 | Confident | 76 Ų | 76 | 114.9 Ų | 114.9 | 39% | 0.39 | 57% | 0.566 | S | S | . | * | trans | -88.2 | -6.4 | -174.6 | 62.2 | 174.6 | 0 | 0 | 0 | 113.6 | E140 P175 Y176 | I112-E140 HydrophobicContact CD1-CB 3.65Å; I112-P175 HydrophobicContact CD1-CG 3.74Å; I112-P175 HydrophobicContact CG1-CB 4.49Å; I112-P175 HydrophobicContact CG1-CG 3.91Å; I112-P175 HydrophobicContact CG2-CB 4.38Å; I112-P175 HydrophobicContact CG2-CG 3.99Å; I112-P175 PolarHBondContact N-O 3.26Å; I112-Y176 HydrophobicContact CD1-CD1 3.94Å; I112-Y176 HydrophobicContact CD1-CD2 4.05Å; I112-Y176 HydrophobicContact CD1-CE1 3.52Å; I112-Y176 HydrophobicContact CD1-CE2 3.68Å; I112-Y176 HydrophobicContact CD1-CG 4.2Å; I112-Y176 HydrophobicContact CG1-CD1 3.88Å; I112-Y176 HydrophobicContact CG1-CD2 4.49Å; I112-Y176 HydrophobicContact CG1-CE1 3.89Å; I112-Y176 HydrophobicContact CG1-CG 4.2Å | ||
| 113 | G | 93.8 | Very high | 84.5 | Confident | 23 Ų | 23 | 117.7 Ų | 117.7 | 24% | 0.237 | 56% | 0.563 | C | S | . | * | B | Isolated β-bridge | trans | 117.6 | -158.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y176 E177 | G113-Y176 WeakPolarHBondContact O-CA 3.48Å; G113-E177 PolarHBondContact O-N 3.12Å |
| 114 | R | 94.5 | Very high | 85.8 | Confident | 195 Ų | 195 | 111.7 Ų | 111.7 | 74% | 0.736 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 136.5 | -175.3 | -63.8 | -178.3 | 177.3 | -152.5 | 1.6 | 111.2 | E177 | R114-E177 HydrophobicContact CG-CB 4.24Å; R114-E177 VanDerWaalsContact CG-OE2 3.28Å; R114-E177 WeakPolarHBondContact CG-OE2 3.37Å; R114-E177 IonicContact NE-OE2 3.74Å; R114-E177 PolarHBondContact NE-OE2 2.9Å |
| 115 | P | 95.9 | Very high | 86.9 | Confident | 5 Ų | 5 | 112.3 Ų | 112.3 | 3% | 0.032 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 155.2 | 176.8 | 33.5 | -36.6 | 0 | 0 | 0 | 111.5 | I136 D137 Y138 Y176 I179 | P115-I136 HydrophobicContact CB-CG2 3.83Å; P115-I136 HydrophobicContact CG-CG2 3.94Å; P115-D137 WeakPolarHBondContact CB-O 3.4Å; P115-Y138 HydrophobicContact CB-CD1 3.62Å; P115-Y138 HydrophobicContact CB-CE1 3.39Å; P115-Y138 HydrophobicContact CG-CD1 4.31Å; P115-Y138 HydrophobicContact CG-CE1 3.57Å; P115-Y176 HydrophobicContact CB-CD1 3.79Å; P115-Y176 HydrophobicContact CB-CE1 4.17Å; P115-Y176 HydrophobicContact CB-CG 4.15Å; P115-Y176 HydrophobicContact CG-CD1 4.46Å; P115-I179 HydrophobicContact CG-CD1 4Å; P115-I179 HydrophobicContact CG-CG1 4.37Å; P115-I179 HydrophobicContact CG-CG2 3.93Å |
| 116 | G | 96.4 | Very high | 88 | Confident | 45 Ų | 45 | 112.6 Ų | 112.6 | 46% | 0.464 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 141.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | I136 D137 | G116-I136 WeakPolarHBondContact O-CA 3.28Å; G116-I136 WeakPolarHBondContact O-CG2 3.17Å; G116-D137 PolarHBondContact O-N 3.32Å |
| 117 | Y | 96.8 | Very high | 88.7 | Confident | 146 Ų | 146 | 108.4 Ų | 108.4 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.1 | -179.9 | 64.6 | -96.9 | 0 | 0 | 0 | 113.2 | V119 Q135 I179 F181 | Y117-V119 HydrophobicContact CD2-CG2 4.17Å; Y117-Q135 CarbonylContact C-O 3.58Å; Y117-Q135 VanDerWaalsContact CA-O 3.27Å; Y117-Q135 WeakPolarHBondContact CA-O 3.22Å; Y117-I179 HydrophobicContact CD1-CD1 4.49Å; Y117-F181 HydrophobicContact CD1-CZ 4.23Å; Y117-F181 AromaticContact CD2-CE1 3.62Å; Y117-F181 HydrophobicContact CD2-CE1 3.62Å; Y117-F181 AromaticContact CD2-CZ 3.7Å; Y117-F181 HydrophobicContact CD2-CZ 3.7Å; Y117-F181 AromaticContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CZ 4.25Å; Y117-F181 HydrophobicContact CG-CE1 4.06Å; Y117-F181 AromaticContact CG-CZ 3.69Å; Y117-F181 HydrophobicContact CG-CZ 3.69Å |
| 118 | K | 97.3 | Very high | 89.6 | Confident | 128 Ų | 128 | 101.8 Ų | 101.8 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.6 | 170.5 | -178.8 | 177 | 176.5 | -176.2 | 0 | 109.4 | Q135 | K118-Q135 HydrophobicContact CB-CB 4.31Å; K118-Q135 PolarHBondContact N-O 2.99Å; K118-Q135 PolarHBondContact O-N 3.3Å |
| 119 | V | 97 | Very high | 90.7 | Very high | 58 Ų | 58 | 92.4 Ų | 92.4 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.7 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | Y117 L133 F134 F181 | Y117-V119 HydrophobicContact CD2-CG2 4.17Å; V119-L133 CarbonylContact C-O 3.57Å; V119-L133 WeakPolarHBondContact CA-O 3.32Å; V119-F134 HydrophobicContact CB-CD1 4.42Å; V119-F134 HydrophobicContact CB-CE1 4.41Å; V119-F134 HydrophobicContact CG1-CD1 4.03Å; V119-F134 HydrophobicContact CG1-CE1 3.71Å; V119-F134 HydrophobicContact CG1-CZ 4.1Å; V119-F134 HydrophobicContact CG2-CD1 3.66Å; V119-F134 HydrophobicContact CG2-CE1 3.78Å; V119-F181 HydrophobicContact CG2-CD1 4.06Å; V119-F181 HydrophobicContact CG2-CE1 3.61Å; V119-F181 HydrophobicContact CG2-CZ 4.07Å |
| 120 | T | 96.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 92.5 Ų | 92.5 | 25% | 0.252 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.4 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 109 | Q122 L133 | T120-Q122 HydrophobicContact CG2-CG 3.89Å; T120-L133 PolarHBondContact N-O 3.42Å; T120-L133 PolarHBondContact O-N 3.33Å |
| 121 | K | 95.6 | Very high | 92.4 | Very high | 185 Ų | 185 | 86.5 Ų | 86.5 | 80% | 0.804 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.9 | 170.7 | -57.3 | -175.4 | 179 | 177.4 | 0 | 107.9 | L132 | K121-L132 HydrophobicContact CB-CD2 4.23Å; K121-L132 HydrophobicContact CG-CD2 3.66Å |
| 122 | Q | 93.9 | Very high | 92.9 | Very high | 75 Ų | 75 | 80.8 Ų | 80.8 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 158.2 | -176.5 | -70.3 | 177.3 | -28.2 | 0 | 0 | 109.9 | T120 Q130 S131 | T120-Q122 HydrophobicContact CG2-CG 3.89Å; Q122-Q130 WeakPolarHBondContact O-CA 3.45Å; Q122-S131 VanDerWaalsContact CB-OG 3.27Å; Q122-S131 WeakPolarHBondContact CB-OG 3.38Å; Q122-S131 PolarHBondContact N-O 3.35Å; Q122-S131 PolarHBondContact O-N 3.12Å |
| 123 | R | 92.5 | Very high | 93.2 | Very high | 184 Ų | 184 | 78 Ų | 78 | 69% | 0.694 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.5 | 169.5 | -170.2 | 178.3 | -171.8 | -165.7 | -2.6 | 107.2 | G128 Q129 | R123-G128 WeakPolarHBondContact CG-O 3.48Å; R123-G128 PolarHBondContact NE-O 2.67Å; R123-Q129 CarbonylContact C-O 3.51Å; R123-Q129 VanDerWaalsContact CA-O 3.29Å; R123-Q129 WeakPolarHBondContact CA-O 3.4Å |
| 124 | D | 88 | Confident | 93.4 | Very high | 46 Ų | 46 | 77.1 Ų | 77.1 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | trans | -64.2 | 123.3 | 176.9 | 179.5 | 43.9 | 0 | 0 | 0 | 109.2 | E126 S127 G128 Q129 | D124-E126 VanDerWaalsContact C-N 3.31Å; D124-E126 PolarHBondContact O-N 2.9Å; D124-S127 WeakPolarHBondContact CB-OG 3.47Å; D124-S127 WeakPolarHBondContact OD2-CB 3.23Å; D124-S127 PolarHBondContact OD2-N 3.5Å; D124-S127 PolarHBondContact OD2-OG 3.2Å; D124-G128 WeakPolarHBondContact O-CA 3.49Å; D124-G128 PolarHBondContact O-N 3.38Å; D124-Q129 PolarHBondContact N-O 3.31Å | ||
| 125 | P | 86.6 | Confident | 93.6 | Very high | 124 Ų | 124 | 70.7 Ų | 70.7 | 81% | 0.805 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -29.7 | -175.9 | 25.1 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 126 | E | 85.8 | Confident | 93.7 | Very high | 183 Ų | 183 | 70.6 Ų | 70.6 | 86% | 0.855 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -52.4 | -177.8 | -66.2 | -175.5 | 172.7 | 0 | 0 | 112 | D124 | D124-E126 VanDerWaalsContact C-N 3.31Å; D124-E126 PolarHBondContact O-N 2.9Å |
| 127 | S | 85.8 | Confident | 93.7 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -15 | -178.6 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | D124 Q129 | D124-S127 WeakPolarHBondContact CB-OG 3.47Å; D124-S127 WeakPolarHBondContact OD2-CB 3.23Å; D124-S127 PolarHBondContact OD2-N 3.5Å; D124-S127 PolarHBondContact OD2-OG 3.2Å; S127-Q129 PolarHBondContact O-N 3.49Å; S127-Q129 WeakPolarHBondContact OG-CB 3.06Å; S127-Q129 WeakPolarHBondContact OG-CG 3.37Å; S127-Q129 PolarHBondContact OG-N 2.95Å |
| 128 | G | 87.5 | Confident | 93.6 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | trans | 69.2 | 5.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R123 D124 | R123-G128 WeakPolarHBondContact CG-O 3.48Å; R123-G128 PolarHBondContact NE-O 2.67Å; D124-G128 WeakPolarHBondContact O-CA 3.49Å; D124-G128 PolarHBondContact O-N 3.38Å | ||
| 129 | Q | 90.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | trans | -67.3 | 139.3 | -179.8 | -75.5 | 175.2 | 36.5 | 0 | 0 | 111.6 | R123 D124 S127 M214 | R123-Q129 CarbonylContact C-O 3.51Å; R123-Q129 VanDerWaalsContact CA-O 3.29Å; R123-Q129 WeakPolarHBondContact CA-O 3.4Å; D124-Q129 PolarHBondContact N-O 3.31Å; S127-Q129 PolarHBondContact O-N 3.49Å; S127-Q129 WeakPolarHBondContact OG-CB 3.06Å; S127-Q129 WeakPolarHBondContact OG-CG 3.37Å; S127-Q129 PolarHBondContact OG-N 2.95Å; Q129-M214 HydrophobicContact CG-CG 3.75Å; Q129-M214 HydrophobicContact CG-SD 4.25Å | ||
| 130 | Q | 94 | Very high | 93.3 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.5 | 172.4 | -69.5 | 176.4 | -35.6 | 0 | 0 | 109.7 | Q122 F212 | Q122-Q130 WeakPolarHBondContact O-CA 3.45Å; Q130-F212 HydrophobicContact CB-CD2 4.1Å; Q130-F212 WeakPolarHBondContact O-CD2 3.26Å; Q130-F212 PolarHBondContact O-N 3.16Å |
| 131 | S | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.028 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 159.6 | 177.1 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | Q122 F210 H211 | Q122-S131 VanDerWaalsContact CB-OG 3.27Å; Q122-S131 WeakPolarHBondContact CB-OG 3.38Å; Q122-S131 PolarHBondContact N-O 3.35Å; Q122-S131 PolarHBondContact O-N 3.12Å; S131-F210 VanDerWaalsContact CA-O 3.23Å; S131-F210 WeakPolarHBondContact CA-O 3.44Å; S131-F210 WeakPolarHBondContact CB-O 3.32Å; S131-H211 WeakPolarHBondContact CB-CD2 3.43Å |
| 132 | L | 96.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.4 | 173.9 | -63.8 | 175.7 | 0 | 0 | 0 | 108.2 | K121 F134 V183 Q209 F210 F212 | K121-L132 HydrophobicContact CB-CD2 4.23Å; K121-L132 HydrophobicContact CG-CD2 3.66Å; L132-F134 HydrophobicContact CB-CD2 4.33Å; L132-F134 HydrophobicContact CB-CE2 3.53Å; L132-F134 HydrophobicContact CB-CZ 4.09Å; L132-F134 HydrophobicContact CD1-CE2 4.31Å; L132-F134 HydrophobicContact CD1-CZ 4.18Å; L132-V183 HydrophobicContact CD1-CG1 3.94Å; L132-V183 HydrophobicContact CD1-CG2 4.34Å; L132-Q209 WeakPolarHBondContact O-CA 3.43Å; L132-F210 HydrophobicContact CB-CE1 4.33Å; L132-F210 HydrophobicContact CB-CE2 4.39Å; L132-F210 HydrophobicContact CB-CZ 4.05Å; L132-F210 HydrophobicContact CD1-CE2 4.12Å; L132-F210 HydrophobicContact CD1-CZ 3.79Å; L132-F210 HydrophobicContact CG-CZ 4.39Å; L132-F210 PolarHBondContact N-O 3.07Å; L132-F210 PolarHBondContact O-N 3.38Å; L132-F210 VanDerWaalsContact O-N 3.16Å; L132-F212 HydrophobicContact CD1-CE2 3.91Å; L132-F212 HydrophobicContact CD1-CZ 3.81Å; L132-F212 HydrophobicContact CG-CE2 3.99Å; L132-F212 HydrophobicContact CG-CZ 4.38Å |
| 133 | L | 96.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.4 | 172.1 | 172.6 | 64.9 | 0 | 0 | 0 | 108.9 | V119 T120 Q135 W196 Q209 | V119-L133 CarbonylContact C-O 3.57Å; V119-L133 WeakPolarHBondContact CA-O 3.32Å; T120-L133 PolarHBondContact N-O 3.42Å; T120-L133 PolarHBondContact O-N 3.33Å; L133-Q135 HydrophobicContact CG-CG 4.26Å; L133-W196 HydrophobicContact CD1-CH2 4.4Å; L133-W196 HydrophobicContact CD1-CZ2 4.4Å; L133-Q209 HydrophobicContact CB-CG 4.47Å; L133-Q209 HydrophobicContact CD1-CB 3.92Å; L133-Q209 HydrophobicContact CD1-CG 4.47Å |
| 134 | F | 98 | Very high | 92 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.6 | 175.6 | -62.6 | -94.9 | 0 | 0 | 0 | 108.9 | V119 L132 I136 L169 F181 V183 F207 L208 F210 | V119-F134 HydrophobicContact CB-CD1 4.42Å; V119-F134 HydrophobicContact CB-CE1 4.41Å; V119-F134 HydrophobicContact CG1-CD1 4.03Å; V119-F134 HydrophobicContact CG1-CE1 3.71Å; V119-F134 HydrophobicContact CG1-CZ 4.1Å; V119-F134 HydrophobicContact CG2-CD1 3.66Å; V119-F134 HydrophobicContact CG2-CE1 3.78Å; L132-F134 HydrophobicContact CB-CD2 4.33Å; L132-F134 HydrophobicContact CB-CE2 3.53Å; L132-F134 HydrophobicContact CB-CZ 4.09Å; L132-F134 HydrophobicContact CD1-CE2 4.31Å; L132-F134 HydrophobicContact CD1-CZ 4.18Å; F134-I136 HydrophobicContact CB-CD1 3.68Å; F134-L169 HydrophobicContact CD1-CD2 4.37Å; F134-L169 HydrophobicContact CD2-CD2 3.87Å; F134-L169 HydrophobicContact CE1-CD2 4.27Å; F134-L169 HydrophobicContact CE2-CD2 3.75Å; F134-L169 HydrophobicContact CG-CD2 4.2Å; F134-L169 HydrophobicContact CZ-CD2 3.95Å; F134-F181 HydrophobicContact CD1-CD1 4.31Å; F134-F181 AromaticContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CE1 4.38Å; F134-F181 AromaticContact CD1-CE2 3.67Å; F134-F181 HydrophobicContact CD1-CE2 3.67Å; F134-F181 AromaticContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CZ 4.08Å; F134-F181 HydrophobicContact CE1-CB 3.7Å; F134-F181 AromaticContact CE1-CD1 3.84Å; F134-F181 HydrophobicContact CE1-CD1 3.84Å; F134-F181 AromaticContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CE1 4.34Å; F134-F181 HydrophobicContact CE1-CE2 4.05Å; F134-F181 AromaticContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CG 3.41Å; F134-F181 VanDerWaalsContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CZ 4.43Å; F134-F181 HydrophobicContact CZ-CB 4.25Å; F134-F181 HydrophobicContact CZ-CG 4.4Å; F134-V183 HydrophobicContact CZ-CG2 4.25Å; F134-F207 WeakPolarHBondContact O-CA 3.36Å; F134-L208 HydrophobicContact CB-CB 4.44Å; F134-L208 HydrophobicContact CD2-CD2 3.8Å; F134-L208 HydrophobicContact CE2-CD2 4.43Å; F134-L208 PolarHBondContact N-O 3.33Å; F134-L208 PolarHBondContact O-N 3.12Å; F134-F210 HydrophobicContact CD2-CE1 4.18Å; F134-F210 HydrophobicContact CE2-CD1 4.41Å; F134-F210 AromaticContact CE2-CE1 3.49Å; F134-F210 HydrophobicContact CE2-CE1 3.49Å; F134-F210 VanDerWaalsContact CE2-CE1 3.49Å; F134-F210 AromaticContact CE2-CZ 4Å; F134-F210 HydrophobicContact CE2-CZ 4Å; F134-F210 HydrophobicContact CZ-CE1 4.4Å |
| 135 | Q | 97.8 | Very high | 91.9 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.1 | 173 | -53.9 | -177.4 | -29.9 | 0 | 0 | 107.1 | Y117 K118 L133 F206 F207 | Y117-Q135 CarbonylContact C-O 3.58Å; Y117-Q135 VanDerWaalsContact CA-O 3.27Å; Y117-Q135 WeakPolarHBondContact CA-O 3.22Å; K118-Q135 HydrophobicContact CB-CB 4.31Å; K118-Q135 PolarHBondContact N-O 2.99Å; K118-Q135 PolarHBondContact O-N 3.3Å; L133-Q135 HydrophobicContact CG-CG 4.26Å; Q135-F206 CarbonylContact C-O 3.53Å; Q135-F206 WeakPolarHBondContact CA-O 3.34Å; Q135-F207 HydrophobicContact CB-CD1 4.39Å; Q135-F207 HydrophobicContact CB-CE1 4.27Å; Q135-F207 HydrophobicContact CG-CD1 3.74Å; Q135-F207 HydrophobicContact CG-CE1 3.72Å |
| 136 | I | 97.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.4 | -178.1 | -57.7 | 79.3 | 0 | 0 | 0 | 108.4 | P115 G116 F134 Y138 L171 I179 Q205 F206 | P115-I136 HydrophobicContact CB-CG2 3.83Å; P115-I136 HydrophobicContact CG-CG2 3.94Å; G116-I136 WeakPolarHBondContact O-CA 3.28Å; G116-I136 WeakPolarHBondContact O-CG2 3.17Å; F134-I136 HydrophobicContact CB-CD1 3.68Å; I136-Y138 HydrophobicContact CB-CD2 4.42Å; I136-Y138 HydrophobicContact CB-CE2 3.89Å; I136-Y138 HydrophobicContact CG2-CD1 4.44Å; I136-Y138 HydrophobicContact CG2-CD2 3.89Å; I136-Y138 HydrophobicContact CG2-CE1 4Å; I136-Y138 HydrophobicContact CG2-CE2 3.34Å; I136-Y138 HydrophobicContact CG2-CG 4.42Å; I136-Y138 VanDerWaalsContact CG2-CZ 3.41Å; I136-L171 HydrophobicContact CD1-CD2 3.42Å; I136-L171 VanDerWaalsContact CD1-CD2 3.42Å; I136-L171 HydrophobicContact CG1-CD2 3.92Å; I136-I179 HydrophobicContact CG1-CD1 4.09Å; I136-I179 HydrophobicContact CG2-CD1 4.31Å; I136-Q205 WeakPolarHBondContact O-CA 3.28Å; I136-F206 HydrophobicContact CB-CB 4.49Å; I136-F206 HydrophobicContact CD1-CD1 4.26Å; I136-F206 PolarHBondContact N-O 2.88Å; I136-F206 PolarHBondContact O-N 3Å |
| 137 | D | 96.9 | Very high | 92.7 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.7 | -178.9 | -160.2 | -6.3 | 0 | 0 | 0 | 110.3 | P115 G116 P139 | P115-D137 WeakPolarHBondContact CB-O 3.4Å; G116-D137 PolarHBondContact O-N 3.32Å; D137-P139 VanDerWaalsContact C-CD 3.41Å; D137-P139 WeakPolarHBondContact O-CD 3.49Å |
| 138 | Y | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -126.6 | 60.8 | -176.1 | -70.4 | -67.4 | 0 | 0 | 0 | 111.7 | P115 I136 E140 I141 P147 A173 Y176 W199 K204 F206 | P115-Y138 HydrophobicContact CB-CD1 3.62Å; P115-Y138 HydrophobicContact CB-CE1 3.39Å; P115-Y138 HydrophobicContact CG-CD1 4.31Å; P115-Y138 HydrophobicContact CG-CE1 3.57Å; I136-Y138 HydrophobicContact CB-CD2 4.42Å; I136-Y138 HydrophobicContact CB-CE2 3.89Å; I136-Y138 HydrophobicContact CG2-CD1 4.44Å; I136-Y138 HydrophobicContact CG2-CD2 3.89Å; I136-Y138 HydrophobicContact CG2-CE1 4Å; I136-Y138 HydrophobicContact CG2-CE2 3.34Å; I136-Y138 HydrophobicContact CG2-CG 4.42Å; I136-Y138 VanDerWaalsContact CG2-CZ 3.41Å; Y138-E140 PolarHBondContact O-N 3.02Å; Y138-E140 VanDerWaalsContact O-N 3.09Å; Y138-I141 PolarHBondContact O-N 3.03Å; Y138-P147 HydrophobicContact CD2-CB 4.3Å; Y138-P147 HydrophobicContact CD2-CG 3.57Å; Y138-P147 HydrophobicContact CE2-CB 3.76Å; Y138-P147 HydrophobicContact CE2-CG 3.56Å; Y138-A173 HydrophobicContact CD1-CB 3.94Å; Y138-A173 HydrophobicContact CD2-CB 4.41Å; Y138-A173 HydrophobicContact CE1-CB 3.57Å; Y138-A173 HydrophobicContact CE2-CB 4.09Å; Y138-A173 HydrophobicContact CG-CB 4.33Å; Y138-Y176 HydrophobicContact CD1-CD1 4.44Å; Y138-Y176 AromaticContact CD1-CD2 3.35Å; Y138-Y176 HydrophobicContact CD1-CD2 3.35Å; Y138-Y176 AromaticContact CD1-CE2 3.66Å; Y138-Y176 HydrophobicContact CD1-CE2 3.66Å; Y138-Y176 AromaticContact CD1-CG 3.76Å; Y138-Y176 HydrophobicContact CD1-CG 3.76Å; Y138-Y176 AromaticContact CE1-CD2 3.94Å; Y138-Y176 HydrophobicContact CE1-CD2 3.94Å; Y138-Y176 AromaticContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CG-CD2 4.39Å; Y138-Y176 HydrophobicContact CG-CE2 4.39Å; Y138-W199 HydrophobicContact CD2-CZ3 4.18Å; Y138-K204 PolarHBondContact N-O 3.21Å; Y138-K204 WeakPolarHBondContact O-CB 3.28Å; Y138-K204 WeakPolarHBondContact O-CD 3.37Å; Y138-F206 HydrophobicContact CD2-CB 4.24Å; Y138-F206 HydrophobicContact CE2-CB 4.13Å | ||
| 139 | P | 94.2 | Very high | 93.6 | Very high | 66 Ų | 66 | 56 Ų | 56 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28 | -172.6 | 22.3 | -33.6 | 0 | 0 | 0 | 114.3 | D137 Y176 K204 | D137-P139 VanDerWaalsContact C-CD 3.41Å; D137-P139 WeakPolarHBondContact O-CD 3.49Å; P139-Y176 WeakPolarHBondContact CD-OH 3.37Å; P139-Y176 WeakPolarHBondContact CG-OH 3.4Å; P139-K204 WeakPolarHBondContact O-CD 3.4Å; P139-K204 WeakPolarHBondContact O-CE 2.96Å; P139-K204 PolarHBondContact O-NZ 2.86Å |
| 140 | E | 91.9 | Very high | 93.8 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 61% | 0.607 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 31.7 | -177.2 | -62.7 | 176.8 | -134.5 | 0 | 0 | 113.2 | I112 Y138 P175 Y176 | I112-E140 HydrophobicContact CD1-CB 3.65Å; Y138-E140 PolarHBondContact O-N 3.02Å; Y138-E140 VanDerWaalsContact O-N 3.09Å; E140-P175 VanDerWaalsContact O-CD 3.26Å; E140-P175 WeakPolarHBondContact O-CD 3.5Å; E140-Y176 HydrophobicContact CB-CE2 4.49Å; E140-Y176 PolarHBondContact N-OH 3.38Å |
| 141 | I | 92 | Very high | 93.8 | Very high | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 145.1 | 175.9 | -162.2 | 170.8 | 0 | 0 | 0 | 112.4 | Y138 I145 P147 A173 E174 W199 K204 | Y138-I141 PolarHBondContact O-N 3.03Å; I141-I145 VanDerWaalsContact CD1-O 3.32Å; I141-I145 WeakPolarHBondContact CD1-O 3.11Å; I141-P147 HydrophobicContact CD1-CG 3.89Å; I141-A173 HydrophobicContact CD1-CB 3.81Å; I141-A173 HydrophobicContact CG1-CB 4.3Å; I141-E174 WeakPolarHBondContact CG1-O 3.49Å; I141-W199 HydrophobicContact CD1-CH2 4.04Å; I141-W199 HydrophobicContact CD1-CZ2 4.02Å; I141-W199 HydrophobicContact CG2-CH2 4.09Å; I141-W199 HydrophobicContact CG2-CZ2 3.99Å; I141-K204 HydrophobicContact CG2-CD 4.28Å |
| 142 | A | 89 | Confident | 93.8 | Very high | 22 Ų | 22 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I145 E174 | A142-I145 HydrophobicContact CB-CD1 4.01Å; A142-I145 HydrophobicContact CB-CG1 4.41Å; A142-I145 PolarHBondContact O-N 3.47Å; A142-E174 PolarHBondContact N-O 3.16Å; A142-E174 VanDerWaalsContact N-O 3.1Å |
| 143 | E | 85.8 | Confident | 93.7 | Very high | 198 Ų | 198 | 63.1 Ų | 63.1 | 93% | 0.925 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 136.4 | -178.2 | -64.2 | -175.7 | 175 | 0 | 0 | 112.1 | I145 | E143-I145 PolarHBondContact O-N 2.95Š|
| 144 | G | 85.4 | Confident | 93.5 | Very high | 93 Ų | 93 | 62.4 Ų | 62.4 | 96% | 0.959 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -3.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 145 | I | 87 | Confident | 93.1 | Very high | 65 Ų | 65 | 69 Ų | 69 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | trans | -101.9 | 132 | 176.5 | -56.5 | -176.1 | 0 | 0 | 0 | 109.8 | I141 A142 E143 E174 | I141-I145 VanDerWaalsContact CD1-O 3.32Å; I141-I145 WeakPolarHBondContact CD1-O 3.11Å; A142-I145 HydrophobicContact CB-CD1 4.01Å; A142-I145 HydrophobicContact CB-CG1 4.41Å; A142-I145 PolarHBondContact O-N 3.47Å; E143-I145 PolarHBondContact O-N 2.95Å; I145-E174 HydrophobicContact CD1-CB 4.39Å; I145-E174 VanDerWaalsContact CD1-OE1 3.28Å; I145-E174 WeakPolarHBondContact CD1-OE1 3.27Å | ||
| 146 | G | 91.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 70.3 Ų | 70.3 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | trans | -104.7 | 149.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 147 | P | 95.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 71.4 Ų | 71.4 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | trans | -58.8 | 142.1 | 173.8 | -25.3 | 36.8 | 0 | 0 | 0 | 112.2 | Y138 I141 A173 W199 F206 | Y138-P147 HydrophobicContact CD2-CB 4.3Å; Y138-P147 HydrophobicContact CD2-CG 3.57Å; Y138-P147 HydrophobicContact CE2-CB 3.76Å; Y138-P147 HydrophobicContact CE2-CG 3.56Å; I141-P147 HydrophobicContact CD1-CG 3.89Å; P147-A173 HydrophobicContact CB-CB 4.07Å; P147-A173 HydrophobicContact CG-CB 4.03Å; P147-W199 HydrophobicContact CG-CD2 4.2Å; P147-W199 HydrophobicContact CG-CE3 3.75Å; P147-W199 HydrophobicContact CG-CH2 4.27Å; P147-W199 HydrophobicContact CG-CZ3 3.78Å; P147-F206 HydrophobicContact CB-CB 4.22Å; P147-F206 HydrophobicContact CB-CD1 4.28Å; P147-F206 HydrophobicContact CB-CD2 3.92Å; P147-F206 HydrophobicContact CB-CE2 4.38Å; P147-F206 HydrophobicContact CB-CG 3.87Å; P147-F206 HydrophobicContact CG-CB 4.01Å; P147-F206 HydrophobicContact CG-CD2 4.17Å; P147-F206 HydrophobicContact CG-CG 4.14Å | ||
| 148 | R | 95.9 | Very high | 91.7 | Very high | 195 Ų | 195 | 80 Ų | 80 | 74% | 0.736 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.5 | 176.5 | -65.1 | -178.9 | 178.4 | -98 | 0.4 | 109.9 | L171 A172 | R148-L171 WeakPolarHBondContact O-CA 3.48Å; R148-A172 PolarHBondContact N-O 3.46Å; R148-A172 PolarHBondContact O-N 3.36Å |
| 149 | H | 96.2 | Very high | 91.3 | Very high | 65 Ų | 65 | 87.7 Ų | 87.7 | 30% | 0.301 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 154.6 | 177.9 | 69.4 | -81.3 | 0 | 0 | 0 | 111.4 | L169 L170 L171 F195 L208 | H149-L169 HydrophobicContact CB-CD1 4.29Å; H149-L170 CarbonylContact C-O 3.53Å; H149-L170 WeakPolarHBondContact CA-O 3.49Å; H149-L171 HydrophobicContact CB-CG 4.32Å; H149-F195 AromaticContact NE2-CE1 3.95Å; H149-F195 AromaticContact NE2-CZ 3.68Å; H149-L208 HydrophobicContact CB-CD1 3.73Å; H149-L208 VanDerWaalsContact CG-CD1 3.46Å |
| 150 | R | 95.6 | Very high | 91.1 | Very high | 144 Ų | 144 | 88.8 Ų | 88.8 | 54% | 0.543 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 139.9 | 174.3 | 172.7 | 174.8 | 170.8 | -174.5 | -2.6 | 110.4 | E156 L170 | R150-E156 IonicContact CZ-OE2 3.13Å; R150-E156 IonicContact NH2-OE2 3.84Å; R150-E156 PolarHBondContact NH2-OE2 3.1Å; R150-L170 PolarHBondContact N-O 2.9Å; R150-L170 PolarHBondContact O-N 3.43Å |
| 151 | F | 95.1 | Very high | 91 | Very high | 57 Ų | 57 | 87.9 Ų | 87.9 | 25% | 0.25 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 132.2 | 164.1 | -69.8 | -92.5 | 0 | 0 | 0 | 109.9 | Y168 L169 I188 F195 F210 | F151-Y168 WeakPolarHBondContact CA-O 3.1Å; F151-L169 HydrophobicContact CD1-CB 4.39Å; F151-L169 HydrophobicContact CD1-CD1 4.4Å; F151-L169 HydrophobicContact CD2-CD1 4.24Å; F151-L169 HydrophobicContact CE1-CB 4.14Å; F151-L169 HydrophobicContact CE1-CD1 4.08Å; F151-L169 HydrophobicContact CE2-CD1 3.9Å; F151-L169 HydrophobicContact CG-CD1 4.48Å; F151-L169 HydrophobicContact CZ-CD1 3.82Å; F151-I188 HydrophobicContact CD1-CD1 3.98Å; F151-I188 HydrophobicContact CE1-CD1 3.33Å; F151-I188 HydrophobicContact CE2-CD1 4.15Å; F151-I188 HydrophobicContact CZ-CD1 3.42Å; F151-I188 VanDerWaalsContact CZ-CD1 3.42Å; F151-F195 AromaticContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CZ 4.09Å; F151-F195 HydrophobicContact CZ-CE2 4.18Å; F151-F210 HydrophobicContact CE1-CE1 4.17Å; F151-F210 HydrophobicContact CE1-CZ 4.2Å; F151-F210 AromaticContact CZ-CD1 3.98Å; F151-F210 HydrophobicContact CZ-CD1 3.98Å; F151-F210 AromaticContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CG 4.5Å; F151-F210 HydrophobicContact CZ-CZ 4.26Å |
| 152 | M | 94.6 | Very high | 91.1 | Very high | 37 Ų | 37 | 90.6 Ų | 90.6 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.3 | -179.1 | -179.4 | 179.8 | -71.3 | 0 | 0 | 109 | E156 Q157 Y168 L170 | M152-E156 HydrophobicContact CG-CB 3.46Å; M152-E156 VanDerWaalsContact CG-CB 3.46Å; M152-E156 HydrophobicContact CG-CG 4.21Å; M152-E156 HydrophobicContact SD-CB 3.86Å; M152-Q157 HydrophobicContact SD-CB 4.26Å; M152-Y168 PolarHBondContact N-O 3.41Å; M152-Y168 PolarHBondContact O-N 3.02Å; M152-L170 HydrophobicContact CB-CD1 3.32Å; M152-L170 HydrophobicContact CE-CD1 3.97Å; M152-L170 HydrophobicContact CE-CD2 3.47Å; M152-L170 VanDerWaalsContact CE-CD2 3.47Å; M152-L170 HydrophobicContact CE-CG 4.4Å; M152-L170 HydrophobicContact CG-CD1 4.19Å; M152-L170 HydrophobicContact SD-CD1 3.94Å; M152-L170 HydrophobicContact SD-CD2 4.2Å |
| 153 | S | 94 | Very high | 91.3 | Very high | 41 Ų | 41 | 91.3 Ų | 91.3 | 29% | 0.287 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 157.1 | 175.5 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | Y155 E156 | S153-Y155 PolarHBondContact O-N 3.34Å; S153-Y155 VanDerWaalsContact O-N 3.12Å; S153-E156 WeakPolarHBondContact CB-OE1 3.48Å; S153-E156 PolarHBondContact N-OE1 3.08Å; S153-E156 PolarHBondContact O-N 3.41Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CG 3.36Å; S153-E156 PolarHBondContact OG-OE1 2.93Å |
| 154 | A | 92.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 90.9 Ų | 90.9 | 2% | 0.017 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q157 D163 Y168 | A154-Q157 PolarHBondContact O-NE2 2.83Å; A154-D163 WeakPolarHBondContact CB-O 3.48Å; A154-Y168 HydrophobicContact CB-CE2 3.97Å |
| 155 | Y | 90.1 | Very high | 91.9 | Very high | 143 Ų | 143 | 95 Ų | 95 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.8 | 177.3 | -66.2 | -73.5 | 0 | 0 | 0 | 113.9 | S153 P162 R164 | S153-Y155 PolarHBondContact O-N 3.34Å; S153-Y155 VanDerWaalsContact O-N 3.12Å; Y155-P162 HydrophobicContact CD1-CB 3.6Å; Y155-P162 HydrophobicContact CD1-CG 4.17Å; Y155-P162 HydrophobicContact CE1-CB 3.86Å; Y155-P162 HydrophobicContact CG-CB 4.31Å; Y155-R164 HydrophobicContact CE2-CG 3.67Å; Y155-R164 WeakPolarHBondContact OH-CD 3.41Å; Y155-R164 WeakPolarHBondContact OH-CG 3.49Å |
| 156 | E | 88.7 | Confident | 92.3 | Very high | 88 Ų | 88 | 96.1 Ų | 96.1 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -27.6 | -178.9 | -75.2 | 166.1 | -105.8 | 0 | 0 | 112.4 | R150 M152 S153 | R150-E156 IonicContact CZ-OE2 3.13Å; R150-E156 IonicContact NH2-OE2 3.84Å; R150-E156 PolarHBondContact NH2-OE2 3.1Å; M152-E156 HydrophobicContact CG-CB 3.46Å; M152-E156 VanDerWaalsContact CG-CB 3.46Å; M152-E156 HydrophobicContact CG-CG 4.21Å; M152-E156 HydrophobicContact SD-CB 3.86Å; S153-E156 WeakPolarHBondContact CB-OE1 3.48Å; S153-E156 PolarHBondContact N-OE1 3.08Å; S153-E156 PolarHBondContact O-N 3.41Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CG 3.36Å; S153-E156 PolarHBondContact OG-OE1 2.93Å |
| 157 | Q | 86 | Confident | 92.5 | Very high | 27 Ų | 27 | 97.3 Ų | 97.3 | 13% | 0.126 | 43% | 0.431 | C | S | . | . | trans | -84.3 | 151.7 | 179.3 | 68.4 | 76.4 | 35.5 | 0 | 0 | 111.7 | M152 A154 E160 Y168 | M152-Q157 HydrophobicContact SD-CB 4.26Å; A154-Q157 PolarHBondContact O-NE2 2.83Å; Q157-E160 PolarHBondContact NE2-O 2.82Å; Q157-Y168 HydrophobicContact CG-CD2 3.96Å; Q157-Y168 HydrophobicContact CG-CE2 3.73Å | ||
| 158 | R | 87.9 | Confident | 92.5 | Very high | 246 Ų | 246 | 97.6 Ų | 97.6 | 93% | 0.928 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -117.1 | 8.8 | -174.4 | -60.9 | -178.3 | 179.4 | 178.4 | -1.6 | 114 | ||
| 159 | I | 88.6 | Confident | 92.5 | Very high | 161 Ų | 161 | 88.3 Ų | 88.3 | 83% | 0.826 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -91.5 | -53.3 | -172.5 | -58 | 174.2 | 0 | 0 | 0 | 110.1 | ||
| 160 | E | 88.4 | Confident | 92.5 | Very high | 89 Ų | 89 | 86.9 Ų | 86.9 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -103.6 | 159.4 | 178.2 | -66.7 | -175.6 | -175.3 | 0 | 0 | 110.9 | Q157 Y168 K182 | Q157-E160 PolarHBondContact NE2-O 2.82Å; E160-Y168 PolarHBondContact OE2-OH 3.33Å; E160-K182 IonicContact OE2-NZ 3.68Å; E160-K182 PolarHBondContact OE2-NZ 3.47Å |
| 161 | P | 91.7 | Very high | 92.6 | Very high | 111 Ų | 111 | 80 Ų | 80 | 72% | 0.721 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 136.1 | 166.2 | -24.2 | 34.8 | 0 | 0 | 0 | 111.4 | D163 | P161-D163 PolarHBondContact O-N 2.91Š|
| 162 | P | 92.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 79.1 Ų | 79.1 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 122.4 | 179.8 | -25.5 | 34.9 | 0 | 0 | 0 | 113 | Y155 | Y155-P162 HydrophobicContact CD1-CB 3.6Å; Y155-P162 HydrophobicContact CD1-CG 4.17Å; Y155-P162 HydrophobicContact CE1-CB 3.86Å; Y155-P162 HydrophobicContact CG-CB 4.31Å |
| 163 | D | 92.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 77.7 Ų | 77.7 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | trans | -122.9 | 115.3 | 172 | -176.6 | -10.4 | 0 | 0 | 0 | 110.6 | A154 P161 R165 W166 | A154-D163 WeakPolarHBondContact CB-O 3.48Å; P161-D163 PolarHBondContact O-N 2.91Å; D163-R165 PolarHBondContact O-N 3.18Å; D163-R165 VanDerWaalsContact O-N 3.16Å; D163-R165 WeakPolarHBondContact OD1-CB 3.48Å; D163-R165 WeakPolarHBondContact OD1-CG 3.39Å; D163-R165 IonicContact OD1-CZ 2.77Å; D163-R165 PolarHBondContact OD1-N 3.45Å; D163-R165 IonicContact OD1-NE 3.94Å; D163-R165 PolarHBondContact OD1-NE 3.03Å; D163-R165 VanDerWaalsContact OD1-NE 3.13Å; D163-R165 IonicContact OD1-NH2 3.99Å; D163-R165 IonicContact OD2-CZ 3.34Å; D163-R165 IonicContact OD2-NE 2.76Å; D163-R165 PolarHBondContact OD2-NE 2.96Å; D163-R165 VanDerWaalsContact OD2-NE 3.14Å; D163-R165 IonicContact OD2-NH2 3.38Å; D163-R165 PolarHBondContact OD2-NH2 3.26Å; D163-W166 PolarHBondContact O-N 3.23Å; D163-W166 VanDerWaalsContact O-N 3.15Å; D163-W166 PolarHBondContact OD2-NE1 3.04Å | ||
| 164 | R | 92.5 | Very high | 92.5 | Very high | 189 Ų | 189 | 78.2 Ų | 78.2 | 71% | 0.713 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.7 | -177.6 | -60.4 | -176.4 | 77.8 | 174.1 | -1.5 | 114.2 | Y155 W166 S185 | Y155-R164 HydrophobicContact CE2-CG 3.67Å; Y155-R164 WeakPolarHBondContact OH-CD 3.41Å; Y155-R164 WeakPolarHBondContact OH-CG 3.49Å; R164-W166 PolarHBondContact O-N 3.47Å; R164-S185 WeakPolarHBondContact O-CB 3.43Å |
| 165 | R | 93.2 | Very high | 92.5 | Very high | 179 Ų | 179 | 79 Ų | 79 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.3 | 178.7 | -64 | 175.7 | -65.4 | -178 | 2.7 | 112.2 | D163 S185 | D163-R165 PolarHBondContact O-N 3.18Å; D163-R165 VanDerWaalsContact O-N 3.16Å; D163-R165 WeakPolarHBondContact OD1-CB 3.48Å; D163-R165 WeakPolarHBondContact OD1-CG 3.39Å; D163-R165 IonicContact OD1-CZ 2.77Å; D163-R165 PolarHBondContact OD1-N 3.45Å; D163-R165 IonicContact OD1-NE 3.94Å; D163-R165 PolarHBondContact OD1-NE 3.03Å; D163-R165 VanDerWaalsContact OD1-NE 3.13Å; D163-R165 IonicContact OD1-NH2 3.99Å; D163-R165 IonicContact OD2-CZ 3.34Å; D163-R165 IonicContact OD2-NE 2.76Å; D163-R165 PolarHBondContact OD2-NE 2.96Å; D163-R165 VanDerWaalsContact OD2-NE 3.14Å; D163-R165 IonicContact OD2-NH2 3.38Å; D163-R165 PolarHBondContact OD2-NH2 3.26Å; R165-S185 WeakPolarHBondContact O-CB 3.31Å; R165-S185 PolarHBondContact O-N 3.44Å |
| 166 | W | 94.2 | Very high | 92.7 | Very high | 88 Ų | 88 | 73.1 Ų | 73.1 | 33% | 0.333 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.7 | -175.8 | -55.6 | 99.6 | 0 | 0 | 0 | 111.8 | D163 R164 K182 V183 P184 | D163-W166 PolarHBondContact O-N 3.23Å; D163-W166 VanDerWaalsContact O-N 3.15Å; D163-W166 PolarHBondContact OD2-NE1 3.04Å; R164-W166 PolarHBondContact O-N 3.47Å; W166-K182 HydrophobicContact CB-CG 3.94Å; W166-K182 VanDerWaalsContact CD1-CE 3.49Å; W166-K182 HydrophobicContact CD2-CD 4.23Å; W166-K182 HydrophobicContact CD2-CG 3.91Å; W166-K182 HydrophobicContact CE3-CD 4.47Å; W166-K182 HydrophobicContact CE3-CG 3.78Å; W166-K182 HydrophobicContact CG-CD 4.22Å; W166-K182 HydrophobicContact CG-CG 3.97Å; W166-V183 CarbonylContact C-O 3.58Å; W166-V183 WeakPolarHBondContact CA-O 3.43Å; W166-P184 HydrophobicContact CE3-CG 4.4Å; W166-P184 HydrophobicContact CZ3-CB 4.4Å; W166-P184 HydrophobicContact CZ3-CG 3.8Å |
| 167 | Q | 95.1 | Very high | 93 | Very high | 55 Ų | 55 | 72.4 Ų | 72.4 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.9 | 166.1 | -70.7 | 177.5 | -10 | 0 | 0 | 108.1 | V183 S185 | Q167-V183 PolarHBondContact N-O 3.02Å; Q167-V183 PolarHBondContact O-N 3.18Å; Q167-V183 VanDerWaalsContact O-O 3.08Å; Q167-S185 WeakPolarHBondContact CG-OG 3.35Å; Q167-S185 PolarHBondContact NE2-OG 3.41Å; Q167-S185 VanDerWaalsContact NE2-OG 3.09Å |
| 168 | Y | 95.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.8 | 178.4 | -64.5 | -83.2 | 0 | 0 | 0 | 109.5 | F151 M152 A154 Q157 E160 L170 F181 K182 | F151-Y168 WeakPolarHBondContact CA-O 3.1Å; M152-Y168 PolarHBondContact N-O 3.41Å; M152-Y168 PolarHBondContact O-N 3.02Å; A154-Y168 HydrophobicContact CB-CE2 3.97Å; Q157-Y168 HydrophobicContact CG-CD2 3.96Å; Q157-Y168 HydrophobicContact CG-CE2 3.73Å; E160-Y168 PolarHBondContact OE2-OH 3.33Å; Y168-L170 WeakPolarHBondContact O-CD1 3.39Å; Y168-F181 CarbonylContact C-O 3.6Å; Y168-F181 VanDerWaalsContact CA-O 3.31Å; Y168-F181 WeakPolarHBondContact CA-O 3.31Å; Y168-K182 HydrophobicContact CD1-CB 4.19Å; Y168-K182 HydrophobicContact CD1-CG 4.41Å; Y168-K182 HydrophobicContact CE1-CB 3.83Å; Y168-K182 HydrophobicContact CE1-CD 4.08Å; Y168-K182 HydrophobicContact CE1-CG 3.74Å; Y168-K182 WeakPolarHBondContact OH-CE 3.42Å |
| 169 | L | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111.4 | 168.3 | 172.1 | 64.1 | 0 | 0 | 0 | 108.1 | F134 H149 F151 L171 A180 F181 V183 L208 F210 | F134-L169 HydrophobicContact CD1-CD2 4.37Å; F134-L169 HydrophobicContact CD2-CD2 3.87Å; F134-L169 HydrophobicContact CE1-CD2 4.27Å; F134-L169 HydrophobicContact CE2-CD2 3.75Å; F134-L169 HydrophobicContact CG-CD2 4.2Å; F134-L169 HydrophobicContact CZ-CD2 3.95Å; H149-L169 HydrophobicContact CB-CD1 4.29Å; F151-L169 HydrophobicContact CD1-CB 4.39Å; F151-L169 HydrophobicContact CD1-CD1 4.4Å; F151-L169 HydrophobicContact CD2-CD1 4.24Å; F151-L169 HydrophobicContact CE1-CB 4.14Å; F151-L169 HydrophobicContact CE1-CD1 4.08Å; F151-L169 HydrophobicContact CE2-CD1 3.9Å; F151-L169 HydrophobicContact CG-CD1 4.48Å; F151-L169 HydrophobicContact CZ-CD1 3.82Å; L169-L171 HydrophobicContact CD2-CD1 4.02Å; L169-L171 HydrophobicContact CG-CD1 3.79Å; L169-A180 CarbonylContact O-C 3.59Å; L169-A180 VanDerWaalsContact O-CA 3.29Å; L169-A180 WeakPolarHBondContact O-CA 3.41Å; L169-F181 HydrophobicContact CB-CB 4.43Å; L169-F181 PolarHBondContact N-O 3.46Å; L169-F181 PolarHBondContact O-N 3.17Å; L169-V183 HydrophobicContact CB-CG2 4.21Å; L169-L208 HydrophobicContact CD1-CD1 4.17Å; L169-L208 HydrophobicContact CD2-CD1 4.34Å; L169-L208 HydrophobicContact CD2-CD2 3.7Å; L169-F210 HydrophobicContact CD2-CE1 4.14Å |
| 170 | L | 96.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139 | 175.3 | -71.8 | 76.8 | 0 | 0 | 0 | 109.8 | H149 R150 M152 Y168 T178 I179 A180 | H149-L170 CarbonylContact C-O 3.53Å; H149-L170 WeakPolarHBondContact CA-O 3.49Å; R150-L170 PolarHBondContact N-O 2.9Å; R150-L170 PolarHBondContact O-N 3.43Å; M152-L170 HydrophobicContact CB-CD1 3.32Å; M152-L170 HydrophobicContact CE-CD1 3.97Å; M152-L170 HydrophobicContact CE-CD2 3.47Å; M152-L170 VanDerWaalsContact CE-CD2 3.47Å; M152-L170 HydrophobicContact CE-CG 4.4Å; M152-L170 HydrophobicContact CG-CD1 4.19Å; M152-L170 HydrophobicContact SD-CD1 3.94Å; M152-L170 HydrophobicContact SD-CD2 4.2Å; Y168-L170 WeakPolarHBondContact O-CD1 3.39Å; L170-T178 HydrophobicContact CB-CG2 4.23Å; L170-T178 HydrophobicContact CD2-CG2 4.09Å; L170-T178 HydrophobicContact CG-CG2 4.43Å; L170-I179 CarbonylContact C-O 3.49Å; L170-I179 VanDerWaalsContact CA-O 3.31Å; L170-I179 WeakPolarHBondContact CA-O 3.31Å; L170-A180 HydrophobicContact CG-CB 4.26Å |
| 171 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.6 | 167.2 | -63.2 | 91.6 | 0 | 0 | 0 | 109.5 | I136 R148 H149 L169 T178 I179 F181 F206 | I136-L171 HydrophobicContact CD1-CD2 3.42Å; I136-L171 VanDerWaalsContact CD1-CD2 3.42Å; I136-L171 HydrophobicContact CG1-CD2 3.92Å; R148-L171 WeakPolarHBondContact O-CA 3.48Å; H149-L171 HydrophobicContact CB-CG 4.32Å; L169-L171 HydrophobicContact CD2-CD1 4.02Å; L169-L171 HydrophobicContact CG-CD1 3.79Å; L171-T178 WeakPolarHBondContact O-CA 2.96Å; L171-T178 WeakPolarHBondContact O-CG2 3.44Å; L171-I179 HydrophobicContact CB-CD1 4.43Å; L171-I179 HydrophobicContact CB-CG1 3.97Å; L171-I179 HydrophobicContact CD1-CG1 4.5Å; L171-I179 PolarHBondContact N-O 3.37Å; L171-I179 PolarHBondContact O-N 3.39Å; L171-F181 HydrophobicContact CD1-CD2 3.68Å; L171-F181 HydrophobicContact CD1-CE2 3.73Å; L171-F206 HydrophobicContact CD2-CD1 3.58Å; L171-F206 HydrophobicContact CD2-CE1 3.57Å |
| 172 | A | 95.5 | Very high | 94.6 | Very high | 38 Ų | 38 | 55 Ų | 55 | 31% | 0.314 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R148 T178 | R148-A172 PolarHBondContact N-O 3.46Å; R148-A172 PolarHBondContact O-N 3.36Å; A172-T178 HydrophobicContact CB-CG2 4.13Å |
| 173 | A | 94.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | trans | -144.8 | 137.5 | 169 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y138 I141 P147 Y176 | Y138-A173 HydrophobicContact CD1-CB 3.94Å; Y138-A173 HydrophobicContact CD2-CB 4.41Å; Y138-A173 HydrophobicContact CE1-CB 3.57Å; Y138-A173 HydrophobicContact CE2-CB 4.09Å; Y138-A173 HydrophobicContact CG-CB 4.33Å; I141-A173 HydrophobicContact CD1-CB 3.81Å; I141-A173 HydrophobicContact CG1-CB 4.3Å; P147-A173 HydrophobicContact CB-CB 4.07Å; P147-A173 HydrophobicContact CG-CB 4.03Å; A173-Y176 CarbonylContact O-C 3.54Å; A173-Y176 WeakPolarHBondContact O-CA 3.43Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-Y176 PolarHBondContact O-N 3.08Å; A173-Y176 VanDerWaalsContact O-O 3.12Å | ||
| 174 | E | 91.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 137 | 178.1 | -170.3 | -179.6 | 85.6 | 0 | 0 | 109.7 | F109 I141 A142 I145 | F109-E174 HydrophobicContact CB-CG 4.1Å; F109-E174 HydrophobicContact CD2-CG 3.65Å; F109-E174 WeakPolarHBondContact CD2-OE1 3.14Å; F109-E174 WeakPolarHBondContact CD2-OE2 3.28Å; F109-E174 HydrophobicContact CE2-CG 4.23Å; F109-E174 WeakPolarHBondContact CE2-OE1 3.32Å; F109-E174 HydrophobicContact CG-CG 3.92Å; F109-E174 VanDerWaalsContact CZ-OE1 3.28Å; F109-E174 WeakPolarHBondContact CZ-OE1 3.36Å; I141-E174 WeakPolarHBondContact CG1-O 3.49Å; A142-E174 PolarHBondContact N-O 3.16Å; A142-E174 VanDerWaalsContact N-O 3.1Å; I145-E174 HydrophobicContact CD1-CB 4.39Å; I145-E174 VanDerWaalsContact CD1-OE1 3.28Å; I145-E174 WeakPolarHBondContact CD1-OE1 3.27Å |
| 175 | P | 93.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.5 | 15 | 8.9 | 35.7 | -32.9 | 0 | 0 | 0 | 114.8 | F109 K111 I112 E140 | F109-P175 HydrophobicContact CB-CB 4.19Å; K111-P175 WeakPolarHBondContact CA-O 3.4Å; I112-P175 HydrophobicContact CD1-CG 3.74Å; I112-P175 HydrophobicContact CG1-CB 4.49Å; I112-P175 HydrophobicContact CG1-CG 3.91Å; I112-P175 HydrophobicContact CG2-CB 4.38Å; I112-P175 HydrophobicContact CG2-CG 3.99Å; I112-P175 PolarHBondContact N-O 3.26Å; E140-P175 VanDerWaalsContact O-CD 3.26Å; E140-P175 WeakPolarHBondContact O-CD 3.5Å |
| 176 | Y | 95.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 157.1 | -179 | -69.8 | -88 | 0 | 0 | 0 | 113.2 | I112 G113 P115 Y138 P139 E140 A173 | I112-Y176 HydrophobicContact CD1-CD1 3.94Å; I112-Y176 HydrophobicContact CD1-CD2 4.05Å; I112-Y176 HydrophobicContact CD1-CE1 3.52Å; I112-Y176 HydrophobicContact CD1-CE2 3.68Å; I112-Y176 HydrophobicContact CD1-CG 4.2Å; I112-Y176 HydrophobicContact CG1-CD1 3.88Å; I112-Y176 HydrophobicContact CG1-CD2 4.49Å; I112-Y176 HydrophobicContact CG1-CE1 3.89Å; I112-Y176 HydrophobicContact CG1-CG 4.2Å; G113-Y176 WeakPolarHBondContact O-CA 3.48Å; P115-Y176 HydrophobicContact CB-CD1 3.79Å; P115-Y176 HydrophobicContact CB-CE1 4.17Å; P115-Y176 HydrophobicContact CB-CG 4.15Å; P115-Y176 HydrophobicContact CG-CD1 4.46Å; Y138-Y176 HydrophobicContact CD1-CD1 4.44Å; Y138-Y176 AromaticContact CD1-CD2 3.35Å; Y138-Y176 HydrophobicContact CD1-CD2 3.35Å; Y138-Y176 AromaticContact CD1-CE2 3.66Å; Y138-Y176 HydrophobicContact CD1-CE2 3.66Å; Y138-Y176 AromaticContact CD1-CG 3.76Å; Y138-Y176 HydrophobicContact CD1-CG 3.76Å; Y138-Y176 AromaticContact CE1-CD2 3.94Å; Y138-Y176 HydrophobicContact CE1-CD2 3.94Å; Y138-Y176 AromaticContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CG-CD2 4.39Å; Y138-Y176 HydrophobicContact CG-CE2 4.39Å; P139-Y176 WeakPolarHBondContact CD-OH 3.37Å; P139-Y176 WeakPolarHBondContact CG-OH 3.4Å; E140-Y176 HydrophobicContact CB-CE2 4.49Å; E140-Y176 PolarHBondContact N-OH 3.38Å; A173-Y176 CarbonylContact O-C 3.54Å; A173-Y176 WeakPolarHBondContact O-CA 3.43Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-Y176 PolarHBondContact O-N 3.08Å; A173-Y176 VanDerWaalsContact O-O 3.12Å |
| 177 | E | 93.9 | Very high | 94.7 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 34% | 0.341 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 142.9 | 167.3 | -67.6 | -169.6 | 160.2 | 0 | 0 | 110.9 | K111 G113 R114 I179 | K111-E177 HydrophobicContact CD-CG 4.27Å; G113-E177 PolarHBondContact O-N 3.12Å; R114-E177 HydrophobicContact CG-CB 4.24Å; R114-E177 VanDerWaalsContact CG-OE2 3.28Å; R114-E177 WeakPolarHBondContact CG-OE2 3.37Å; R114-E177 IonicContact NE-OE2 3.74Å; R114-E177 PolarHBondContact NE-OE2 2.9Å; E177-I179 PolarHBondContact O-N 3.04Å |
| 178 | T | 94.9 | Very high | 94.6 | Very high | 78 Ų | 78 | 40.3 Ų | 40.3 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 124.5 | 170.7 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | L170 L171 A172 | L170-T178 HydrophobicContact CB-CG2 4.23Å; L170-T178 HydrophobicContact CD2-CG2 4.09Å; L170-T178 HydrophobicContact CG-CG2 4.43Å; L171-T178 WeakPolarHBondContact O-CA 2.96Å; L171-T178 WeakPolarHBondContact O-CG2 3.44Å; A172-T178 HydrophobicContact CB-CG2 4.13Å |
| 179 | I | 95.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 151.1 | 173.4 | 58.7 | 169.9 | 0 | 0 | 0 | 110 | P115 Y117 I136 L170 L171 E177 F181 | P115-I179 HydrophobicContact CG-CD1 4Å; P115-I179 HydrophobicContact CG-CG1 4.37Å; P115-I179 HydrophobicContact CG-CG2 3.93Å; Y117-I179 HydrophobicContact CD1-CD1 4.49Å; I136-I179 HydrophobicContact CG1-CD1 4.09Å; I136-I179 HydrophobicContact CG2-CD1 4.31Å; L170-I179 CarbonylContact C-O 3.49Å; L170-I179 VanDerWaalsContact CA-O 3.31Å; L170-I179 WeakPolarHBondContact CA-O 3.31Å; L171-I179 HydrophobicContact CB-CD1 4.43Å; L171-I179 HydrophobicContact CB-CG1 3.97Å; L171-I179 HydrophobicContact CD1-CG1 4.5Å; L171-I179 PolarHBondContact N-O 3.37Å; L171-I179 PolarHBondContact O-N 3.39Å; E177-I179 PolarHBondContact O-N 3.04Å; I179-F181 HydrophobicContact CD1-CE2 3.62Å; I179-F181 HydrophobicContact CD1-CZ 3.82Å; I179-F181 HydrophobicContact CG1-CE2 4.29Å |
| 180 | A | 95.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 50% | 0.504 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L169 L170 | L169-A180 CarbonylContact O-C 3.59Å; L169-A180 VanDerWaalsContact O-CA 3.29Å; L169-A180 WeakPolarHBondContact O-CA 3.41Å; L170-A180 HydrophobicContact CG-CB 4.26Å |
| 181 | F | 96 | Very high | 93.6 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.6 | 174.2 | -64.8 | -77.3 | 0 | 0 | 0 | 110.2 | Y117 V119 F134 Y168 L169 L171 I179 V183 | Y117-F181 HydrophobicContact CD1-CZ 4.23Å; Y117-F181 AromaticContact CD2-CE1 3.62Å; Y117-F181 HydrophobicContact CD2-CE1 3.62Å; Y117-F181 AromaticContact CD2-CZ 3.7Å; Y117-F181 HydrophobicContact CD2-CZ 3.7Å; Y117-F181 AromaticContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CZ 4.25Å; Y117-F181 HydrophobicContact CG-CE1 4.06Å; Y117-F181 AromaticContact CG-CZ 3.69Å; Y117-F181 HydrophobicContact CG-CZ 3.69Å; V119-F181 HydrophobicContact CG2-CD1 4.06Å; V119-F181 HydrophobicContact CG2-CE1 3.61Å; V119-F181 HydrophobicContact CG2-CZ 4.07Å; F134-F181 HydrophobicContact CD1-CD1 4.31Å; F134-F181 AromaticContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CE1 4.38Å; F134-F181 AromaticContact CD1-CE2 3.67Å; F134-F181 HydrophobicContact CD1-CE2 3.67Å; F134-F181 AromaticContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CZ 4.08Å; F134-F181 HydrophobicContact CE1-CB 3.7Å; F134-F181 AromaticContact CE1-CD1 3.84Å; F134-F181 HydrophobicContact CE1-CD1 3.84Å; F134-F181 AromaticContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CE1 4.34Å; F134-F181 HydrophobicContact CE1-CE2 4.05Å; F134-F181 AromaticContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CG 3.41Å; F134-F181 VanDerWaalsContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CZ 4.43Å; F134-F181 HydrophobicContact CZ-CB 4.25Å; F134-F181 HydrophobicContact CZ-CG 4.4Å; Y168-F181 CarbonylContact C-O 3.6Å; Y168-F181 VanDerWaalsContact CA-O 3.31Å; Y168-F181 WeakPolarHBondContact CA-O 3.31Å; L169-F181 HydrophobicContact CB-CB 4.43Å; L169-F181 PolarHBondContact N-O 3.46Å; L169-F181 PolarHBondContact O-N 3.17Å; L171-F181 HydrophobicContact CD1-CD2 3.68Å; L171-F181 HydrophobicContact CD1-CE2 3.73Å; I179-F181 HydrophobicContact CD1-CE2 3.62Å; I179-F181 HydrophobicContact CD1-CZ 3.82Å; I179-F181 HydrophobicContact CG1-CE2 4.29Å; F181-V183 HydrophobicContact CB-CG2 4.37Å; F181-V183 PolarHBondContact O-N 2.81Å |
| 182 | K | 95.1 | Very high | 92.9 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.2 | 173.1 | -165 | 170.1 | -170 | 160.2 | 0 | 109.3 | E160 W166 Y168 | E160-K182 IonicContact OE2-NZ 3.68Å; E160-K182 PolarHBondContact OE2-NZ 3.47Å; W166-K182 HydrophobicContact CB-CG 3.94Å; W166-K182 VanDerWaalsContact CD1-CE 3.49Å; W166-K182 HydrophobicContact CD2-CD 4.23Å; W166-K182 HydrophobicContact CD2-CG 3.91Å; W166-K182 HydrophobicContact CE3-CD 4.47Å; W166-K182 HydrophobicContact CE3-CG 3.78Å; W166-K182 HydrophobicContact CG-CD 4.22Å; W166-K182 HydrophobicContact CG-CG 3.97Å; Y168-K182 HydrophobicContact CD1-CB 4.19Å; Y168-K182 HydrophobicContact CD1-CG 4.41Å; Y168-K182 HydrophobicContact CE1-CB 3.83Å; Y168-K182 HydrophobicContact CE1-CD 4.08Å; Y168-K182 HydrophobicContact CE1-CG 3.74Å; Y168-K182 WeakPolarHBondContact OH-CE 3.42Å |
| 183 | V | 95.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140 | -174.6 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | L132 F134 W166 Q167 L169 F181 S185 F210 F212 | L132-V183 HydrophobicContact CD1-CG1 3.94Å; L132-V183 HydrophobicContact CD1-CG2 4.34Å; F134-V183 HydrophobicContact CZ-CG2 4.25Å; W166-V183 CarbonylContact C-O 3.58Å; W166-V183 WeakPolarHBondContact CA-O 3.43Å; Q167-V183 PolarHBondContact N-O 3.02Å; Q167-V183 PolarHBondContact O-N 3.18Å; Q167-V183 VanDerWaalsContact O-O 3.08Å; L169-V183 HydrophobicContact CB-CG2 4.21Å; F181-V183 HydrophobicContact CB-CG2 4.37Å; F181-V183 PolarHBondContact O-N 2.81Å; V183-S185 PolarHBondContact O-N 2.79Å; V183-F210 HydrophobicContact CG1-CE2 4.05Å; V183-F210 HydrophobicContact CG1-CZ 3.75Å; V183-F210 HydrophobicContact CG2-CZ 4.33Å; V183-F212 HydrophobicContact CG1-CE1 3.98Å; V183-F212 HydrophobicContact CG1-CZ 3.7Å |
| 184 | P | 94.7 | Very high | 92.2 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 137.5 | 173.4 | -24.8 | 33.5 | 0 | 0 | 0 | 111.5 | W166 R186 F212 | W166-P184 HydrophobicContact CE3-CG 4.4Å; W166-P184 HydrophobicContact CZ3-CB 4.4Å; W166-P184 HydrophobicContact CZ3-CG 3.8Å; P184-R186 HydrophobicContact CB-CG 4.27Å; P184-R186 PolarHBondContact O-N 3.41Å; P184-F212 HydrophobicContact CG-CZ 4.43Å |
| 185 | S | 93.1 | Very high | 92.3 | Very high | 50 Ų | 50 | 64.3 Ų | 64.3 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | trans | -74.7 | 37.3 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 113.2 | R164 R165 Q167 V183 | R164-S185 WeakPolarHBondContact O-CB 3.43Å; R165-S185 WeakPolarHBondContact O-CB 3.31Å; R165-S185 PolarHBondContact O-N 3.44Å; Q167-S185 WeakPolarHBondContact CG-OG 3.35Å; Q167-S185 PolarHBondContact NE2-OG 3.41Å; Q167-S185 VanDerWaalsContact NE2-OG 3.09Å; V183-S185 PolarHBondContact O-N 2.79Å | ||
| 186 | R | 92.7 | Very high | 92.4 | Very high | 64 Ų | 64 | 67.5 Ų | 67.5 | 24% | 0.242 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 151.6 | 175.5 | -71.8 | 173.2 | 62.7 | -169.6 | -4.9 | 109.8 | P184 I188 F212 K213 E215 | P184-R186 HydrophobicContact CB-CG 4.27Å; P184-R186 PolarHBondContact O-N 3.41Å; R186-I188 PolarHBondContact O-N 3.12Å; R186-F212 HydrophobicContact CB-CD1 3.57Å; R186-F212 HydrophobicContact CB-CE1 4.03Å; R186-F212 HydrophobicContact CB-CG 4.33Å; R186-K213 PolarHBondContact NH2-O 2.95Å; R186-E215 IonicContact NE-OE1 2.72Å |
| 187 | E | 91.4 | Very high | 92.5 | Very high | 131 Ų | 131 | 69.5 Ų | 69.5 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 132.2 | 177.5 | -67.7 | -168 | -170.5 | 0 | 0 | 111.1 | F212 K213 | E187-F212 WeakPolarHBondContact O-CA 3.32Å; E187-K213 HydrophobicContact CB-CB 4.18Å; E187-K213 HydrophobicContact CB-CD 3.8Å; E187-K213 HydrophobicContact CB-CG 4.05Å; E187-K213 PolarHBondContact O-N 2.63Å; E187-K213 VanDerWaalsContact OE2-CD 3.32Å; E187-K213 WeakPolarHBondContact OE2-CD 3.3Å; E187-K213 WeakPolarHBondContact OE2-CE 3.45Å; E187-K213 IonicContact OE2-NZ 2.73Å; E187-K213 PolarHBondContact OE2-NZ 3.46Å |
| 188 | I | 92.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.5 | 176.2 | -61.8 | 174.6 | 0 | 0 | 0 | 108.5 | F151 R186 K190 F195 F210 | F151-I188 HydrophobicContact CD1-CD1 3.98Å; F151-I188 HydrophobicContact CE1-CD1 3.33Å; F151-I188 HydrophobicContact CE2-CD1 4.15Å; F151-I188 HydrophobicContact CZ-CD1 3.42Å; F151-I188 VanDerWaalsContact CZ-CD1 3.42Å; R186-I188 PolarHBondContact O-N 3.12Å; I188-K190 PolarHBondContact O-N 2.96Å; I188-F195 HydrophobicContact CG2-CD2 3.87Å; I188-F195 HydrophobicContact CG2-CE2 4.45Å; I188-F210 HydrophobicContact CD1-CD2 3.85Å; I188-F210 HydrophobicContact CD1-CE2 3.93Å; I188-F210 HydrophobicContact CD1-CG 4.32Å; I188-F210 HydrophobicContact CD1-CZ 4.48Å; I188-F210 HydrophobicContact CG1-CD2 3.88Å; I188-F210 HydrophobicContact CG1-CE2 4.16Å; I188-F210 HydrophobicContact CG2-CB 3.75Å; I188-F210 HydrophobicContact CG2-CD2 3.94Å; I188-F210 HydrophobicContact CG2-CG 4.1Å |
| 189 | D | 90.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 69.5 Ų | 69.5 | 16% | 0.155 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.6 | 171.1 | -165 | -22.4 | 0 | 0 | 0 | 109.6 | A191 R194 H211 K213 | D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 WeakPolarHBondContact OD1-CB 3.26Å; D189-A191 PolarHBondContact OD1-N 3.04Å; D189-R194 HydrophobicContact CB-CB 4.22Å; D189-R194 WeakPolarHBondContact OD2-CD 3.49Å; D189-R194 IonicContact OD2-CZ 3.59Å; D189-R194 IonicContact OD2-NE 3.14Å; D189-R194 IonicContact OD2-NH1 2.68Å; D189-R194 PolarHBondContact OD2-NH1 3.34Å; D189-H211 PolarHBondContact N-O 3.15Å; D189-K213 HydrophobicContact CB-CG 4.09Å |
| 190 | K | 88.1 | Confident | 92.6 | Very high | 182 Ų | 182 | 71 Ų | 71 | 79% | 0.791 | 36% | 0.359 | S | S | * | . | trans | -92.9 | 9.2 | -176.7 | -60.8 | -174.5 | -179.9 | -176 | 0 | 113.1 | I188 | I188-K190 PolarHBondContact O-N 2.96Š| ||
| 191 | A | 88.9 | Confident | 92.5 | Very high | 41 Ų | 41 | 75.7 Ų | 75.7 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | trans | -59.1 | 139.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D189 S193 R194 F195 | D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 WeakPolarHBondContact OD1-CB 3.26Å; D189-A191 PolarHBondContact OD1-N 3.04Å; A191-S193 PolarHBondContact O-N 3.09Å; A191-S193 VanDerWaalsContact O-N 3.16Å; A191-R194 HydrophobicContact CB-CB 4.39Å; A191-R194 CarbonylContact O-C 3.55Å; A191-R194 WeakPolarHBondContact O-CA 3.42Å; A191-R194 PolarHBondContact O-N 3.38Å; A191-F195 PolarHBondContact O-N 3.22Å | ||
| 192 | E | 83.3 | Confident | 92.4 | Very high | 180 Ų | 180 | 81.7 Ų | 81.7 | 84% | 0.841 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.8 | -173.5 | -170 | 168.1 | -164.7 | 0 | 0 | 113.6 | R194 | E192-R194 VanDerWaalsContact C-N 3.34Š|
| 193 | S | 85.5 | Confident | 92.4 | Very high | 95 Ų | 95 | 80.4 Ų | 80.4 | 66% | 0.664 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -22.3 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | A191 | A191-S193 PolarHBondContact O-N 3.09Å; A191-S193 VanDerWaalsContact O-N 3.16Å |
| 194 | R | 88.6 | Confident | 92.4 | Very high | 77 Ų | 77 | 83.8 Ų | 83.8 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -22.7 | -172 | -73.1 | -177.1 | 178.9 | 162.4 | 5.5 | 113.5 | D189 A191 E192 F210 H211 | D189-R194 HydrophobicContact CB-CB 4.22Å; D189-R194 WeakPolarHBondContact OD2-CD 3.49Å; D189-R194 IonicContact OD2-CZ 3.59Å; D189-R194 IonicContact OD2-NE 3.14Å; D189-R194 IonicContact OD2-NH1 2.68Å; D189-R194 PolarHBondContact OD2-NH1 3.34Å; A191-R194 HydrophobicContact CB-CB 4.39Å; A191-R194 CarbonylContact O-C 3.55Å; A191-R194 WeakPolarHBondContact O-CA 3.42Å; A191-R194 PolarHBondContact O-N 3.38Å; E192-R194 VanDerWaalsContact C-N 3.34Å; R194-F210 CarbonylContact O-C 3.57Å; R194-F210 VanDerWaalsContact O-CA 3.23Å; R194-F210 WeakPolarHBondContact O-CA 3.47Å; R194-H211 WeakPolarHBondContact CA-ND1 3.33Å; R194-H211 HydrophobicContact CB-CB 4.17Å; R194-H211 HydrophobicContact CG-CB 4.43Å; R194-H211 PolarHBondContact O-N 3.33Å; R194-H211 VanDerWaalsContact O-N 3.15Å; R194-H211 PolarHBondContact O-ND1 3.08Å |
| 195 | F | 94.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 85.2 Ų | 85.2 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.2 | 171.7 | -174.1 | -77 | 0 | 0 | 0 | 108.9 | H149 F151 I188 A191 T197 Q209 F210 | H149-F195 AromaticContact NE2-CE1 3.95Å; H149-F195 AromaticContact NE2-CZ 3.68Å; F151-F195 AromaticContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CZ 4.09Å; F151-F195 HydrophobicContact CZ-CE2 4.18Å; I188-F195 HydrophobicContact CG2-CD2 3.87Å; I188-F195 HydrophobicContact CG2-CE2 4.45Å; A191-F195 PolarHBondContact O-N 3.22Å; F195-T197 HydrophobicContact CE1-CG2 4.48Å; F195-Q209 WeakPolarHBondContact CA-O 3.5Å; F195-F210 HydrophobicContact CD2-CB 3.5Å; F195-F210 VanDerWaalsContact CD2-CB 3.5Å; F195-F210 HydrophobicContact CD2-CG 4.48Å; F195-F210 HydrophobicContact CE2-CB 3.97Å; F195-F210 HydrophobicContact CG-CB 4.4Å |
| 196 | W | 94.7 | Very high | 92.8 | Very high | 86 Ų | 86 | 83.2 Ų | 83.2 | 33% | 0.326 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.4 | 178.2 | 64.8 | -97.3 | 0 | 0 | 0 | 111.6 | L133 H198 F207 Q209 | L133-W196 HydrophobicContact CD1-CH2 4.4Å; L133-W196 HydrophobicContact CD1-CZ2 4.4Å; W196-H198 HydrophobicContact CE3-CB 3.99Å; W196-H198 HydrophobicContact CZ3-CB 3.58Å; W196-F207 HydrophobicContact CH2-CB 3.8Å; W196-F207 HydrophobicContact CZ3-CB 3.6Å; W196-Q209 HydrophobicContact CD2-CB 4.24Å; W196-Q209 HydrophobicContact CZ2-CB 3.83Å; W196-Q209 VanDerWaalsContact CZ2-OE1 3.32Å; W196-Q209 PolarHBondContact N-O 3.44Å; W196-Q209 PolarHBondContact O-N 3.02Å |
| 197 | T | 96.4 | Very high | 93 | Very high | 62 Ų | 62 | 82 Ų | 82 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.3 | 173.4 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | F195 F206 F207 L208 | F195-T197 HydrophobicContact CE1-CG2 4.48Å; T197-F206 HydrophobicContact CG2-CZ 3.98Å; T197-F207 CarbonylContact C-O 3.59Å; T197-F207 VanDerWaalsContact CA-O 3.22Å; T197-F207 WeakPolarHBondContact CA-O 3.25Å; T197-L208 HydrophobicContact CG2-CB 4.01Å; T197-L208 HydrophobicContact CG2-CD1 3.76Å; T197-L208 HydrophobicContact CG2-CG 3.76Å |
| 198 | H | 96.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.2 | 177.3 | -174.9 | 70.8 | 0 | 0 | 0 | 110.1 | W196 F206 F207 | W196-H198 HydrophobicContact CE3-CB 3.99Å; W196-H198 HydrophobicContact CZ3-CB 3.58Å; H198-F206 WeakPolarHBondContact O-CD2 3.37Å; H198-F207 HydrophobicContact CB-CB 4.3Å; H198-F207 PolarHBondContact N-O 2.92Å; H198-F207 PolarHBondContact O-N 2.94Å |
| 199 | W | 96.5 | Very high | 93.4 | Very high | 53 Ų | 53 | 75.9 Ų | 75.9 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110.2 | 174.1 | 171.2 | -125 | 0 | 0 | 0 | 108.9 | Y138 I141 P147 K201 K204 F206 | Y138-W199 HydrophobicContact CD2-CZ3 4.18Å; I141-W199 HydrophobicContact CD1-CH2 4.04Å; I141-W199 HydrophobicContact CD1-CZ2 4.02Å; I141-W199 HydrophobicContact CG2-CH2 4.09Å; I141-W199 HydrophobicContact CG2-CZ2 3.99Å; P147-W199 HydrophobicContact CG-CD2 4.2Å; P147-W199 HydrophobicContact CG-CE3 3.75Å; P147-W199 HydrophobicContact CG-CH2 4.27Å; P147-W199 HydrophobicContact CG-CZ3 3.78Å; W199-K201 VanDerWaalsContact NE1-CG 3.32Å; W199-K204 VanDerWaalsContact CH2-C 3.42Å; W199-K204 HydrophobicContact CH2-CB 3.85Å; W199-K204 WeakPolarHBondContact CH2-O 3.45Å; W199-K204 VanDerWaalsContact CZ3-O 3.31Å; W199-K204 WeakPolarHBondContact CZ3-O 3.44Å; W199-F206 HydrophobicContact CB-CD2 4.13Å; W199-F206 HydrophobicContact CE3-CB 3.86Å; W199-F206 HydrophobicContact CE3-CD2 4.31Å; W199-F206 HydrophobicContact CZ3-CB 4.18Å |
| 200 | N | 95.5 | Very high | 93.7 | Very high | 43 Ų | 43 | 74.5 Ų | 74.5 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.1 | 172.1 | -173.5 | -29.6 | 0 | 0 | 0 | 108.6 | D202 T203 K204 Q205 | N200-D202 VanDerWaalsContact C-N 3.32Å; N200-D202 PolarHBondContact OD1-N 3.4Å; N200-T203 WeakPolarHBondContact CB-OG1 3.45Å; N200-T203 PolarHBondContact ND2-OG1 3.19Å; N200-T203 PolarHBondContact OD1-N 3.09Å; N200-T203 VanDerWaalsContact OD1-N 3.1Å; N200-T203 PolarHBondContact OD1-OG1 2.96Å; N200-K204 WeakPolarHBondContact O-CA 3.41Å; N200-K204 PolarHBondContact O-N 3.38Å; N200-Q205 PolarHBondContact N-O 3.06Å; N200-Q205 PolarHBondContact O-N 3.22Å |
| 201 | K | 93.9 | Very high | 94 | Very high | 159 Ų | 159 | 66.6 Ų | 66.6 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -29.1 | -178.7 | -71.6 | 178.6 | -179.5 | -176 | 0 | 112.9 | W199 | W199-K201 VanDerWaalsContact NE1-CG 3.32Š|
| 202 | D | 93.4 | Very high | 94.3 | Very high | 153 Ų | 153 | 65 Ų | 65 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -47.5 | -174.1 | -54.1 | -49.3 | 0 | 0 | 0 | 110.8 | N200 K204 | N200-D202 VanDerWaalsContact C-N 3.32Å; N200-D202 PolarHBondContact OD1-N 3.4Å; D202-K204 VanDerWaalsContact C-N 3.3Å |
| 203 | T | 95.4 | Very high | 94.6 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9 | 176 | 65.9 | 0 | 0 | 0 | 0 | 113 | N200 Q205 | N200-T203 WeakPolarHBondContact CB-OG1 3.45Å; N200-T203 PolarHBondContact ND2-OG1 3.19Å; N200-T203 PolarHBondContact OD1-N 3.09Å; N200-T203 VanDerWaalsContact OD1-N 3.1Å; N200-T203 PolarHBondContact OD1-OG1 2.96Å; T203-Q205 PolarHBondContact O-N 3.34Å |
| 204 | K | 95.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 36.6 | -174.1 | -56.3 | -177.2 | -179.8 | -171.8 | 0 | 113.5 | Y138 P139 I141 W199 N200 D202 | Y138-K204 PolarHBondContact N-O 3.21Å; Y138-K204 WeakPolarHBondContact O-CB 3.28Å; Y138-K204 WeakPolarHBondContact O-CD 3.37Å; P139-K204 WeakPolarHBondContact O-CD 3.4Å; P139-K204 WeakPolarHBondContact O-CE 2.96Å; P139-K204 PolarHBondContact O-NZ 2.86Å; I141-K204 HydrophobicContact CG2-CD 4.28Å; W199-K204 VanDerWaalsContact CH2-C 3.42Å; W199-K204 HydrophobicContact CH2-CB 3.85Å; W199-K204 WeakPolarHBondContact CH2-O 3.45Å; W199-K204 VanDerWaalsContact CZ3-O 3.31Å; W199-K204 WeakPolarHBondContact CZ3-O 3.44Å; N200-K204 WeakPolarHBondContact O-CA 3.41Å; N200-K204 PolarHBondContact O-N 3.38Å; D202-K204 VanDerWaalsContact C-N 3.3Å |
| 205 | Q | 96.6 | Very high | 93.7 | Very high | 73 Ų | 73 | 65 Ų | 65 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.5 | 179.6 | -68.8 | 175.3 | -10.1 | 0 | 0 | 111.8 | I136 N200 T203 F207 | I136-Q205 WeakPolarHBondContact O-CA 3.28Å; N200-Q205 PolarHBondContact N-O 3.06Å; N200-Q205 PolarHBondContact O-N 3.22Å; T203-Q205 PolarHBondContact O-N 3.34Å; Q205-F207 HydrophobicContact CB-CE2 3.66Å; Q205-F207 HydrophobicContact CB-CZ 4.05Å |
| 206 | F | 97.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 71.6 Ų | 71.6 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.1 | 174.7 | -174 | -109.4 | 0 | 0 | 0 | 111.1 | Q135 I136 Y138 P147 L171 T197 H198 W199 L208 | Q135-F206 CarbonylContact C-O 3.53Å; Q135-F206 WeakPolarHBondContact CA-O 3.34Å; I136-F206 HydrophobicContact CB-CB 4.49Å; I136-F206 HydrophobicContact CD1-CD1 4.26Å; I136-F206 PolarHBondContact N-O 2.88Å; I136-F206 PolarHBondContact O-N 3Å; Y138-F206 HydrophobicContact CD2-CB 4.24Å; Y138-F206 HydrophobicContact CE2-CB 4.13Å; P147-F206 HydrophobicContact CB-CB 4.22Å; P147-F206 HydrophobicContact CB-CD1 4.28Å; P147-F206 HydrophobicContact CB-CD2 3.92Å; P147-F206 HydrophobicContact CB-CE2 4.38Å; P147-F206 HydrophobicContact CB-CG 3.87Å; P147-F206 HydrophobicContact CG-CB 4.01Å; P147-F206 HydrophobicContact CG-CD2 4.17Å; P147-F206 HydrophobicContact CG-CG 4.14Å; L171-F206 HydrophobicContact CD2-CD1 3.58Å; L171-F206 HydrophobicContact CD2-CE1 3.57Å; T197-F206 HydrophobicContact CG2-CZ 3.98Å; H198-F206 WeakPolarHBondContact O-CD2 3.37Å; W199-F206 HydrophobicContact CB-CD2 4.13Å; W199-F206 HydrophobicContact CE3-CB 3.86Å; W199-F206 HydrophobicContact CE3-CD2 4.31Å; W199-F206 HydrophobicContact CZ3-CB 4.18Å; F206-L208 HydrophobicContact CE1-CB 3.85Å; F206-L208 HydrophobicContact CE1-CD1 4.23Å; F206-L208 HydrophobicContact CZ-CB 4.36Å |
| 207 | F | 97.8 | Very high | 90.1 | Very high | 39 Ų | 39 | 72.4 Ų | 72.4 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.2 | 177.5 | -60.8 | -94 | 0 | 0 | 0 | 109.4 | F134 Q135 W196 T197 H198 Q205 | F134-F207 WeakPolarHBondContact O-CA 3.36Å; Q135-F207 HydrophobicContact CB-CD1 4.39Å; Q135-F207 HydrophobicContact CB-CE1 4.27Å; Q135-F207 HydrophobicContact CG-CD1 3.74Å; Q135-F207 HydrophobicContact CG-CE1 3.72Å; W196-F207 HydrophobicContact CH2-CB 3.8Å; W196-F207 HydrophobicContact CZ3-CB 3.6Å; T197-F207 CarbonylContact C-O 3.59Å; T197-F207 VanDerWaalsContact CA-O 3.22Å; T197-F207 WeakPolarHBondContact CA-O 3.25Å; H198-F207 HydrophobicContact CB-CB 4.3Å; H198-F207 PolarHBondContact N-O 2.92Å; H198-F207 PolarHBondContact O-N 2.94Å; Q205-F207 HydrophobicContact CB-CE2 3.66Å; Q205-F207 HydrophobicContact CB-CZ 4.05Å |
| 208 | L | 97.3 | Very high | 88 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.5 | 171.5 | 178.2 | 155.1 | 0 | 0 | 0 | 108.4 | F134 H149 L169 T197 F206 F210 | F134-L208 HydrophobicContact CB-CB 4.44Å; F134-L208 HydrophobicContact CD2-CD2 3.8Å; F134-L208 HydrophobicContact CE2-CD2 4.43Å; F134-L208 PolarHBondContact N-O 3.33Å; F134-L208 PolarHBondContact O-N 3.12Å; H149-L208 HydrophobicContact CB-CD1 3.73Å; H149-L208 VanDerWaalsContact CG-CD1 3.46Å; L169-L208 HydrophobicContact CD1-CD1 4.17Å; L169-L208 HydrophobicContact CD2-CD1 4.34Å; L169-L208 HydrophobicContact CD2-CD2 3.7Å; T197-L208 HydrophobicContact CG2-CB 4.01Å; T197-L208 HydrophobicContact CG2-CD1 3.76Å; T197-L208 HydrophobicContact CG2-CG 3.76Å; F206-L208 HydrophobicContact CE1-CB 3.85Å; F206-L208 HydrophobicContact CE1-CD1 4.23Å; F206-L208 HydrophobicContact CZ-CB 4.36Å; L208-F210 HydrophobicContact CD2-CD1 3.56Å; L208-F210 HydrophobicContact CD2-CE1 3.88Å |
| 209 | Q | 95.6 | Very high | 86 | Confident | 28 Ų | 28 | 76 Ų | 76 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.7 | 176.9 | -174 | 174.1 | -29.7 | 0 | 0 | 110 | L132 L133 F195 W196 H211 | L132-Q209 WeakPolarHBondContact O-CA 3.43Å; L133-Q209 HydrophobicContact CB-CG 4.47Å; L133-Q209 HydrophobicContact CD1-CB 3.92Å; L133-Q209 HydrophobicContact CD1-CG 4.47Å; F195-Q209 WeakPolarHBondContact CA-O 3.5Å; W196-Q209 HydrophobicContact CD2-CB 4.24Å; W196-Q209 HydrophobicContact CZ2-CB 3.83Å; W196-Q209 VanDerWaalsContact CZ2-OE1 3.32Å; W196-Q209 PolarHBondContact N-O 3.44Å; W196-Q209 PolarHBondContact O-N 3.02Å; Q209-H211 PolarHBondContact NE2-CE1 3Å |
| 210 | F | 95.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.9 | 167.6 | 63.3 | -91.6 | 0 | 0 | 0 | 112 | S131 L132 F134 F151 L169 V183 I188 R194 F195 L208 F212 | S131-F210 VanDerWaalsContact CA-O 3.23Å; S131-F210 WeakPolarHBondContact CA-O 3.44Å; S131-F210 WeakPolarHBondContact CB-O 3.32Å; L132-F210 HydrophobicContact CB-CE1 4.33Å; L132-F210 HydrophobicContact CB-CE2 4.39Å; L132-F210 HydrophobicContact CB-CZ 4.05Å; L132-F210 HydrophobicContact CD1-CE2 4.12Å; L132-F210 HydrophobicContact CD1-CZ 3.79Å; L132-F210 HydrophobicContact CG-CZ 4.39Å; L132-F210 PolarHBondContact N-O 3.07Å; L132-F210 PolarHBondContact O-N 3.38Å; L132-F210 VanDerWaalsContact O-N 3.16Å; F134-F210 HydrophobicContact CD2-CE1 4.18Å; F134-F210 HydrophobicContact CE2-CD1 4.41Å; F134-F210 AromaticContact CE2-CE1 3.49Å; F134-F210 HydrophobicContact CE2-CE1 3.49Å; F134-F210 VanDerWaalsContact CE2-CE1 3.49Å; F134-F210 AromaticContact CE2-CZ 4Å; F134-F210 HydrophobicContact CE2-CZ 4Å; F134-F210 HydrophobicContact CZ-CE1 4.4Å; F151-F210 HydrophobicContact CE1-CE1 4.17Å; F151-F210 HydrophobicContact CE1-CZ 4.2Å; F151-F210 AromaticContact CZ-CD1 3.98Å; F151-F210 HydrophobicContact CZ-CD1 3.98Å; F151-F210 AromaticContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CG 4.5Å; F151-F210 HydrophobicContact CZ-CZ 4.26Å; L169-F210 HydrophobicContact CD2-CE1 4.14Å; V183-F210 HydrophobicContact CG1-CE2 4.05Å; V183-F210 HydrophobicContact CG1-CZ 3.75Å; V183-F210 HydrophobicContact CG2-CZ 4.33Å; I188-F210 HydrophobicContact CD1-CD2 3.85Å; I188-F210 HydrophobicContact CD1-CE2 3.93Å; I188-F210 HydrophobicContact CD1-CG 4.32Å; I188-F210 HydrophobicContact CD1-CZ 4.48Å; I188-F210 HydrophobicContact CG1-CD2 3.88Å; I188-F210 HydrophobicContact CG1-CE2 4.16Å; I188-F210 HydrophobicContact CG2-CB 3.75Å; I188-F210 HydrophobicContact CG2-CD2 3.94Å; I188-F210 HydrophobicContact CG2-CG 4.1Å; R194-F210 CarbonylContact O-C 3.57Å; R194-F210 VanDerWaalsContact O-CA 3.23Å; R194-F210 WeakPolarHBondContact O-CA 3.47Å; F195-F210 HydrophobicContact CD2-CB 3.5Å; F195-F210 VanDerWaalsContact CD2-CB 3.5Å; F195-F210 HydrophobicContact CD2-CG 4.48Å; F195-F210 HydrophobicContact CE2-CB 3.97Å; F195-F210 HydrophobicContact CG-CB 4.4Å; L208-F210 HydrophobicContact CD2-CD1 3.56Å; L208-F210 HydrophobicContact CD2-CE1 3.88Å; F210-F212 HydrophobicContact CE2-CD1 4.48Å; F210-F212 AromaticContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE2 4.29Å; F210-F212 AromaticContact CE2-CZ 3.73Å; F210-F212 HydrophobicContact CE2-CZ 3.73Å |
| 211 | H | 95.1 | Very high | 82.3 | Confident | 16 Ų | 16 | 82.7 Ų | 82.7 | 7% | 0.074 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.5 | 173.2 | -60.4 | 70.2 | 0 | 0 | 0 | 109.9 | S131 D189 R194 Q209 | S131-H211 WeakPolarHBondContact CB-CD2 3.43Å; D189-H211 PolarHBondContact N-O 3.15Å; R194-H211 WeakPolarHBondContact CA-ND1 3.33Å; R194-H211 HydrophobicContact CB-CB 4.17Å; R194-H211 HydrophobicContact CG-CB 4.43Å; R194-H211 PolarHBondContact O-N 3.33Å; R194-H211 VanDerWaalsContact O-N 3.15Å; R194-H211 PolarHBondContact O-ND1 3.08Å; Q209-H211 PolarHBondContact NE2-CE1 3Å |
| 212 | F | 94.4 | Very high | 80.4 | Confident | 8 Ų | 8 | 81 Ų | 81 | 4% | 0.035 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 139.8 | 166.6 | -63.5 | -72 | 0 | 0 | 0 | 109 | Q130 L132 V183 P184 R186 E187 F210 M214 | Q130-F212 HydrophobicContact CB-CD2 4.1Å; Q130-F212 WeakPolarHBondContact O-CD2 3.26Å; Q130-F212 PolarHBondContact O-N 3.16Å; L132-F212 HydrophobicContact CD1-CE2 3.91Å; L132-F212 HydrophobicContact CD1-CZ 3.81Å; L132-F212 HydrophobicContact CG-CE2 3.99Å; L132-F212 HydrophobicContact CG-CZ 4.38Å; V183-F212 HydrophobicContact CG1-CE1 3.98Å; V183-F212 HydrophobicContact CG1-CZ 3.7Å; P184-F212 HydrophobicContact CG-CZ 4.43Å; R186-F212 HydrophobicContact CB-CD1 3.57Å; R186-F212 HydrophobicContact CB-CE1 4.03Å; R186-F212 HydrophobicContact CB-CG 4.33Å; E187-F212 WeakPolarHBondContact O-CA 3.32Å; F210-F212 HydrophobicContact CE2-CD1 4.48Å; F210-F212 AromaticContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE2 4.29Å; F210-F212 AromaticContact CE2-CZ 3.73Å; F210-F212 HydrophobicContact CE2-CZ 3.73Å; F212-M214 PolarHBondContact O-N 3.07Å |
| 213 | K | 91.3 | Very high | 78.8 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 138.7 | 166.1 | -65 | -167.9 | -170.4 | 168.9 | 0 | 108.7 | R186 E187 D189 E215 | R186-K213 PolarHBondContact NH2-O 2.95Å; E187-K213 HydrophobicContact CB-CB 4.18Å; E187-K213 HydrophobicContact CB-CD 3.8Å; E187-K213 HydrophobicContact CB-CG 4.05Å; E187-K213 PolarHBondContact O-N 2.63Å; E187-K213 VanDerWaalsContact OE2-CD 3.32Å; E187-K213 WeakPolarHBondContact OE2-CD 3.3Å; E187-K213 WeakPolarHBondContact OE2-CE 3.45Å; E187-K213 IonicContact OE2-NZ 2.73Å; E187-K213 PolarHBondContact OE2-NZ 3.46Å; D189-K213 HydrophobicContact CB-CG 4.09Å; K213-E215 PolarHBondContact O-N 3.36Å |
| 214 | M | 83.9 | Confident | 77.1 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 59% | 0.586 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 124.2 | 166.3 | -89.7 | 172.5 | 81.8 | 0 | 0 | 107.6 | Q129 F212 K216 | Q129-M214 HydrophobicContact CG-CG 3.75Å; Q129-M214 HydrophobicContact CG-SD 4.25Å; F212-M214 PolarHBondContact O-N 3.07Å; M214-K216 PolarHBondContact O-N 2.91Å |
| 215 | E | 71.6 | Confident | 75.3 | Confident | 144 Ų | 144 | 81.9 Ų | 81.9 | 67% | 0.673 | 47% | 0.474 | S | S | * | . | trans | -61.2 | 112.8 | 159.4 | -75.3 | 177.8 | -178.3 | 0 | 0 | 105 | R186 K213 S217 | R186-E215 IonicContact NE-OE1 2.72Å; K213-E215 PolarHBondContact O-N 3.36Å; E215-S217 VanDerWaalsContact C-N 3.33Å; E215-S217 PolarHBondContact O-N 2.84Å | ||
| 216 | K | 60.5 | Low | 73.5 | Confident | 189 Ų | 189 | 83.6 Ų | 83.6 | 82% | 0.822 | 49% | 0.492 | S | S | * | . | trans | -56.4 | 110.9 | 165.1 | -163.1 | 174.7 | -170.9 | -179.9 | 0 | 103.2 | M214 L218 | M214-K216 PolarHBondContact O-N 2.91Å; K216-L218 VanDerWaalsContact C-N 3.26Å; K216-L218 PolarHBondContact O-N 3.1Å | ||
| 217 | S | 52.2 | Low | 71.3 | Confident | 103 Ų | 103 | 89.3 Ų | 89.3 | 72% | 0.72 | 53% | 0.53 | S | S | * | . | trans | -54.6 | 106.8 | 170.8 | 55.4 | 0 | 0 | 0 | 0 | 104.2 | E215 A219 | E215-S217 VanDerWaalsContact C-N 3.33Å; E215-S217 PolarHBondContact O-N 2.84Å; S217-A219 PolarHBondContact O-N 3.18Å | ||
| 218 | L | 52.7 | Low | 69.2 | Low | 162 Ų | 162 | 96.8 Ų | 96.8 | 85% | 0.848 | 57% | 0.568 | S | S | * | * | trans | -56.8 | 102.9 | 161.1 | -70.1 | 168.9 | 0 | 0 | 0 | 101.7 | K216 | K216-L218 VanDerWaalsContact C-N 3.26Å; K216-L218 PolarHBondContact O-N 3.1Å | ||
| 219 | A | 54.5 | Low | 67.3 | Low | 74 Ų | 74 | 100.1 Ų | 100.1 | 61% | 0.612 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 132.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | S217 P221 | S217-A219 PolarHBondContact O-N 3.18Å; A219-P221 VanDerWaalsContact O-N 3.15Å |
| 220 | P | 59 | Low | 65.1 | Low | 111 Ų | 111 | 105.7 Ų | 105.7 | 72% | 0.721 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 133.3 | 172.8 | 20.8 | -31.1 | 0 | 0 | 0 | 106.2 | S222 | P220-S222 PolarHBondContact O-N 3.27Š|
| 221 | P | 54.3 | Low | 62.8 | Low | 126 Ų | 126 | 115.5 Ų | 115.5 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 116.7 | -179 | 19.8 | -30.9 | 0 | 0 | 0 | 106.2 | A219 G223 | A219-P221 VanDerWaalsContact O-N 3.15Å; P221-G223 PolarHBondContact O-N 3.34Å |
| 222 | S | 54.9 | Low | 60.3 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -67.7 | 75 | 172.5 | 52.3 | 0 | 0 | 0 | 0 | 106 | P220 | P220-S222 PolarHBondContact O-N 3.27Š| ||
| 223 | G | 60 | Low | 57.9 | Low | 50 Ų | 50 | 131.1 Ų | 131.1 | 52% | 0.515 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 145.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | P221 V225 | P221-G223 PolarHBondContact O-N 3.34Å; G223-V225 PolarHBondContact O-N 2.88Å; G223-V225 VanDerWaalsContact O-N 3.1Å |
| 224 | P | 59.2 | Low | 56 | Low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.4 | 178 | 21.4 | -30.8 | 0 | 0 | 0 | 108.9 | P226 | P224-P226 WeakPolarHBondContact O-CD 3.35Š|
| 225 | V | 56.9 | Low | 54.3 | Low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 119.3 | 168.4 | -95 | 0 | 0 | 0 | 0 | 108.1 | G223 | G223-V225 PolarHBondContact O-N 2.88Å; G223-V225 VanDerWaalsContact O-N 3.1Å |
| 226 | P | 58.1 | Low | 53 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.8 | 172.8 | 24.8 | -30.6 | 0 | 0 | 0 | 108.4 | P224 M228 | P224-P226 WeakPolarHBondContact O-CD 3.35Å; P226-M228 PolarHBondContact O-N 3.01Å |
| 227 | P | 51.7 | Low | 52.4 | Low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.5 | -176.7 | 21.7 | -31.5 | 0 | 0 | 0 | 110.6 | G229 | P227-G229 PolarHBondContact O-N 3.43Å; P227-G229 VanDerWaalsContact O-N 3.1Å |
| 228 | M | 53.8 | Low | 51.8 | Low | 197 Ų | 197 | 134 Ų | 134 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -57.9 | 111.2 | 172.8 | -69.3 | 176.8 | 61.6 | 0 | 0 | 109.3 | P226 | P226-M228 PolarHBondContact O-N 3.01Š|
| 229 | G | 58 | Low | 51 | Low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 177.6 | 28.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | P227 | P227-G229 PolarHBondContact O-N 3.43Å; P227-G229 VanDerWaalsContact O-N 3.1Å | ||
| 230 | V | 50.3 | Low | 50.4 | Low | 144 Ų | 144 | 135.5 Ų | 135.5 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | trans | -141.2 | 112.7 | 165 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | R232 | V230-R232 PolarHBondContact O-N 3.07Š| ||
| 231 | K | 45.9 | Very low | 49.2 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.9 | 174.4 | -66.3 | 179 | 178 | 178.9 | 0 | 108.9 | ||
| 232 | R | 43.9 | Very low | 48.9 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 137.2 | 170.2 | -141.4 | 175.4 | -136.5 | -116.1 | 2.6 | 108.6 | V230 | V230-R232 PolarHBondContact O-N 3.07Š|
| 233 | P | 44 | Very low | 48.3 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73 | 151.9 | 176.8 | 20.9 | -17.9 | 0 | 0 | 0 | 111.5 | ||
| 234 | P | 50.5 | Low | 47.5 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 146.8 | -172.2 | 28.3 | -33.2 | 0 | 0 | 0 | 112.7 | ||
| 235 | P | 48.3 | Very low | 47.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130.2 | 174.8 | 31.1 | -29.5 | 0 | 0 | 0 | 110.8 | M237 | P235-M237 PolarHBondContact O-N 2.92Š|
| 236 | L | 44 | Very low | 46.5 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 122.1 | 174.9 | -169.4 | 71.5 | 0 | 0 | 0 | 109.9 | ||
| 237 | M | 47.4 | Very low | 45.5 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.7 | 169.2 | -71.7 | -82.7 | 174.3 | 0 | 0 | 110.5 | P235 | P235-M237 PolarHBondContact O-N 2.92Š|
| 238 | S | 39.5 | Very low | 44.9 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -167.7 | 129.1 | 158.2 | -74.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 239 | G | 37.3 | Very low | 44.8 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | 130.6 | 118 | 29.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 240 | I | 41.3 | Very low | 44.8 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 97% | 0.969 | 82% | 0.824 | S | S | * | * | trans | -63.9 | 136.3 | 179.4 | -67.4 | 158.6 | 0 | 0 | 0 | 110.2 | ||||
| 241 | G | 34.5 | Very low | 45.4 | Very low | 65 Ų | 65 | 144.1 Ų | 144.1 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 169.8 | 153.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 242 | P | 46.6 | Very low | 46 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -102.6 | 167.6 | -141 | 38.4 | -33.5 | 0 | 0 | 0 | 116.9 | ||||
| 243 | R | 42.7 | Very low | 46.6 | Very low | 226 Ų | 226 | 134.2 Ų | 134.2 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -66.7 | 152.1 | -179.6 | -161.1 | -178.4 | -168.5 | -140.6 | 3.7 | 114 | ||||
| 244 | P | 44.3 | Very low | 46.8 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | trans | -133.6 | 174.7 | 135.4 | 34.1 | -17.3 | 0 | 0 | 0 | 113.1 | ||||
| 245 | P | 50.9 | Low | 46.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | trans | -108 | 172.6 | -140.2 | 40.9 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 246 | N | 42.9 | Very low | 46.1 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 82.7 | 112.8 | 157.2 | -137.3 | 27.8 | 0 | 0 | 0 | 116.2 | ||||
| 247 | E | 37.9 | Very low | 46 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | -177.5 | 157.9 | 122.4 | -98.7 | -177.1 | 148.1 | 0 | 0 | 111.7 | |||||
| 248 | A | 38.6 | Very low | 45.7 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152.8 | -154.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 249 | M | 52.3 | Low | 46.4 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 138 | 167.2 | -68.1 | -169.1 | -96 | 0 | 0 | 111.6 | ||
| 250 | P | 58.8 | Low | 47.5 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 152.3 | 158 | 32.1 | -28.6 | 0 | 0 | 0 | 112 | ||
| 251 | P | 61.8 | Low | 48.3 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 165 | -167.1 | 33.7 | -36.4 | 0 | 0 | 0 | 113.8 | ||
| 252 | P | 58.1 | Low | 49.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 144.2 | 175.5 | 31.3 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 253 | P | 56.7 | Low | 49.8 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76 | 149.7 | 173.5 | 29.6 | -31.9 | 0 | 0 | 0 | 112 | ||
| 254 | P | 49.3 | Very low | 50.1 | Low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 145.8 | -174.8 | 34.8 | -32.5 | 0 | 0 | 0 | 112.8 | ||
| 255 | G | 42.9 | Very low | 50.7 | Low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 90.9 | 124.2 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 256 | G | 40.4 | Very low | 50.3 | Low | 61 Ų | 61 | 130.7 Ų | 130.7 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | trans | 87.5 | 85.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | H258 | G256-H258 PolarHBondContact O-CE1 3.04Å; G256-H258 PolarHBondContact O-N 3.38Å; G256-H258 VanDerWaalsContact O-N 3.14Å; G256-H258 PolarHBondContact O-ND1 2.96Å | ||
| 257 | M | 41 | Very low | 50.5 | Low | 204 Ų | 204 | 130 Ų | 130 | 100% | 1.005 | 82% | 0.817 | S | S | * | * | trans | -72.8 | 101.8 | 160.2 | -69.7 | -158.5 | 178.1 | 0 | 0 | 110 | ||||
| 258 | H | 43 | Very low | 51.2 | Low | 170 Ų | 170 | 124 Ų | 124 | 79% | 0.787 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 125.6 | 162.2 | 39.9 | -81.6 | 0 | 0 | 0 | 107.8 | G256 | G256-H258 PolarHBondContact O-CE1 3.04Å; G256-H258 PolarHBondContact O-N 3.38Å; G256-H258 VanDerWaalsContact O-N 3.14Å; G256-H258 PolarHBondContact O-ND1 2.96Å |
| 259 | M | 53.5 | Low | 51.9 | Low | 183 Ų | 183 | 125.4 Ų | 125.4 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.5 | 171.6 | -69.5 | -159.4 | 178.8 | 0 | 0 | 110.2 | ||
| 260 | P | 60.9 | Low | 51.5 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 148.3 | 170.5 | 29.5 | -32 | 0 | 0 | 0 | 111.5 | ||
| 261 | P | 56.4 | Low | 50.8 | Low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 148.2 | -179.4 | 31.6 | -33.1 | 0 | 0 | 0 | 112.2 | ||
| 262 | L | 54.1 | Low | 49.8 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 143.4 | 171.5 | -97.2 | 75.8 | 0 | 0 | 0 | 111.5 | ||
| 263 | P | 59.1 | Low | 48.9 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.4 | 171.6 | 29.9 | -32.5 | 0 | 0 | 0 | 112.2 | ||
| 264 | P | 49 | Very low | 48.1 | Very low | 135 Ų | 135 | 133 Ų | 133 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -82.1 | 130.1 | 179.5 | 31.5 | -30.4 | 0 | 0 | 0 | 111.2 | ||
| 265 | G | 56.8 | Low | 47.5 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 125 | 74.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 266 | A | 43 | Very low | 47.3 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -133.5 | 135.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 267 | P | 46.5 | Very low | 47.2 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 138.5 | -178.4 | 12.1 | -4.6 | 0 | 0 | 0 | 111.3 | ||
| 268 | G | 53.1 | Low | 47.2 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 162.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 269 | P | 53.7 | Low | 47 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 149.3 | -179.5 | 29.1 | -33.3 | 0 | 0 | 0 | 111.9 | ||
| 270 | P | 43.8 | Very low | 46.4 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131 | -166.2 | 27.2 | -33.3 | 0 | 0 | 0 | 113.3 | ||
| 271 | Q | 44.8 | Very low | 45.1 | Very low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66 | 125.2 | 163 | -82 | 178.2 | -33.5 | 0 | 0 | 109.9 | H273 | Q271-H273 PolarHBondContact O-N 3.26Š|
| 272 | M | 40.1 | Very low | 44 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -81.7 | 100 | 170.2 | -61.3 | -148.5 | -170 | 0 | 0 | 109.9 | ||||
| 273 | H | 39.1 | Very low | 43.7 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 119.4 | 167.7 | -77.7 | -100.9 | 0 | 0 | 0 | 109.9 | Q271 H275 | Q271-H273 PolarHBondContact O-N 3.26Å; H273-H275 PolarHBondContact O-N 2.74Å | ||
| 274 | H | 38.8 | Very low | 42.8 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -70.8 | 108.6 | 166.6 | -108.7 | 65.5 | 0 | 0 | 0 | 109 | ||||
| 275 | H | 37.9 | Very low | 42.3 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | -85.1 | 120.5 | 170.5 | -136.7 | 73.7 | 0 | 0 | 0 | 109.3 | H273 | H273-H275 PolarHBondContact O-N 2.74Š| ||
| 276 | H | 39.3 | Very low | 41.3 | Very low | 167 Ų | 167 | 137 Ų | 137 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -80.5 | 115 | 170.5 | -155.2 | 79.8 | 0 | 0 | 0 | 107.4 | ||||
| 277 | Q | 38 | Very low | 41.4 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -124.4 | 108.8 | 171.3 | -166.1 | 153.3 | 66.3 | 0 | 0 | 109.7 | ||||
| 278 | M | 41.3 | Very low | 41.6 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -68.4 | 135.8 | 163.3 | -69.5 | -165.4 | 175.7 | 0 | 0 | 109.1 | ||||
| 279 | Q | 37.7 | Very low | 41.5 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -139.2 | 119.9 | 161 | -164.1 | 149.3 | 76.6 | 0 | 0 | 110 | ||||
| 280 | H | 41.6 | Very low | 41.3 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 150.5 | 169.5 | -81.4 | -84.3 | 0 | 0 | 0 | 110.7 | ||||
| 281 | G | 33.8 | Very low | 41.4 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 113.2 | 126.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 282 | G | 33.4 | Very low | 41.8 | Very low | 75 Ų | 75 | 151.2 Ų | 151.2 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | -171.9 | -172.2 | 10 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 283 | P | 47.7 | Very low | 42.3 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -97.8 | 152.9 | -155.2 | 36.4 | -33 | 0 | 0 | 0 | 115.5 | ||||
| 284 | G | 39.1 | Very low | 42.7 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | 86.7 | 119.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 285 | M | 39.8 | Very low | 43.1 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 97% | 0.97 | 82% | 0.818 | S | S | * | * | trans | -166.2 | 131.1 | 133.7 | -87 | -112.3 | -160.8 | 0 | 0 | 108.7 | ||||
| 286 | G | 35.5 | Very low | 43.7 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 153.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 287 | M | 43.8 | Very low | 44.1 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 144.5 | 169.3 | -69.3 | -90.7 | 166.5 | 0 | 0 | 110.3 | ||
| 288 | P | 51.2 | Low | 44.2 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 151.9 | 165.2 | 32.9 | -30.6 | 0 | 0 | 0 | 110.8 | ||
| 289 | P | 51.7 | Low | 44.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 128.5 | -176.8 | 31.3 | -30.8 | 0 | 0 | 0 | 111.5 | ||
| 290 | L | 49.1 | Very low | 44.3 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 123.2 | 166.4 | -86.5 | 155.1 | 0 | 0 | 0 | 109.6 | ||
| 291 | M | 46.4 | Very low | 44.4 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.5 | 172.8 | -71.1 | -75 | -178.2 | 0 | 0 | 111.1 | ||
| 292 | R | 52 | Low | 44.4 | Very low | 224 Ų | 224 | 132.3 Ų | 132.3 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 131.5 | 176.2 | -158.2 | 178.5 | -170.8 | -142.2 | 2.8 | 108.9 | ||
| 293 | P | 50.5 | Low | 45.2 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 149.9 | 169.2 | 25 | -22.3 | 0 | 0 | 0 | 111.2 | ||
| 294 | P | 49.1 | Very low | 45.6 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 151.6 | -178.1 | 33.1 | -31.9 | 0 | 0 | 0 | 111.9 | ||
| 295 | L | 47.5 | Very low | 46 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71 | 153.7 | 171.2 | -80.9 | 118.2 | 0 | 0 | 0 | 111.5 | ||
| 296 | P | 49.4 | Very low | 46.6 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 137.2 | 173.3 | 32 | -30.5 | 0 | 0 | 0 | 110.8 | ||
| 297 | S | 47.5 | Very low | 47 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86 | 127.4 | 169.7 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 298 | D | 40.4 | Very low | 46.8 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148.2 | 172.4 | -90.1 | -50.3 | 0 | 0 | 0 | 113.4 | ||
| 299 | S | 41.1 | Very low | 46.6 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 66% | 0.657 | 84% | 0.843 | S | S | * | * | trans | 59.9 | 116.6 | 145.6 | 65.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 300 | H | 40.3 | Very low | 46.3 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 88% | 0.88 | 85% | 0.845 | S | S | * | * | -165.7 | 125.8 | 111.3 | -106.1 | -71.5 | 0 | 0 | 0 | 111 | |||||
| 301 | G | 42.4 | Very low | 46.2 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -74.9 | 147.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 302 | G | 35.2 | Very low | 46.2 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -154.6 | 122.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 303 | M | 49.7 | Very low | 45.8 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 156.3 | -175 | -62.3 | -173.5 | 174.5 | 0 | 0 | 113.9 | ||
| 304 | P | 55 | Low | 45.5 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 84% | 0.844 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -84 | 127.5 | 167.7 | 32.3 | -29.3 | 0 | 0 | 0 | 111.4 | ||
| 305 | H | 48.2 | Very low | 45.2 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 90% | 0.903 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 146.8 | 167.7 | -119.5 | -85.7 | 0 | 0 | 0 | 110.7 | ||
| 306 | Q | 51.9 | Low | 45.1 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 77% | 0.771 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 161.9 | 179.5 | -68.1 | 168.9 | 9.7 | 0 | 0 | 114.6 | ||
| 307 | N | 43.7 | Very low | 44.7 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | trans | 66.5 | 134.1 | 162.5 | -68.4 | -1.2 | 0 | 0 | 0 | 115.8 | ||||
| 308 | N | 41.2 | Very low | 44.5 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 100% | 1.225 | 86% | 0.86 | S | S | * | * | cis | -156.2 | 0 | 33.1 | -173.6 | 46.6 | 0 | 0 | 0 | 108.8 |
Retrieved 308 of 308 residues in 57 ms
(Link to these results)