| 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 | 41.3 | Very low | 41.7 | Very low | 238 Ų | 238 | 156.5 Ų | 156.5 | 100% | 1.172 | 80% | 0.799 | S | S | * | * | 0 | 132.1 | 0 | -62.5 | 170.4 | 179.4 | 0 | 0 | 107.9 | |||||
| 2 | S | 33.9 | Very low | 42.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -160.5 | 84 | 172.9 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | R4 | S2-R4 PolarHBondContact O-N 2.78Š| ||
| 3 | E | 35.8 | Very low | 43.6 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -76.1 | 109.3 | 179.3 | -72.8 | -170.8 | 99.1 | 0 | 0 | 112.3 | R5 | E3-R5 PolarHBondContact O-N 3.24Š| ||
| 4 | R | 37.3 | Very low | 44.1 | Very low | 244 Ų | 244 | 144.8 Ų | 144.8 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | -85.7 | 92.8 | 173.4 | -145 | 175.2 | -164.3 | 176.3 | 5 | 109.4 | S2 R6 | S2-R4 PolarHBondContact O-N 2.78Å; R4-R6 PolarHBondContact O-N 3.05Å; R4-R6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | R | 42.5 | Very low | 44.9 | Very low | 247 Ų | 247 | 135.5 Ų | 135.5 | 93% | 0.932 | 69% | 0.694 | S | S | * | * | trans | -44.3 | 115.8 | 177.3 | -74.7 | -176.8 | 173.9 | -178 | -2.1 | 111 | E3 S7 | E3-R5 PolarHBondContact O-N 3.24Å; R5-S7 PolarHBondContact O-N 3Å | ||
| 6 | R | 40.2 | Very low | 45.8 | Very low | 246 Ų | 246 | 131.3 Ų | 131.3 | 93% | 0.928 | 67% | 0.671 | S | S | * | * | trans | -75.9 | 115.6 | 170.7 | -71.3 | -177.3 | 176.2 | 176.3 | -0.7 | 108.6 | R4 | R4-R6 PolarHBondContact O-N 3.05Å; R4-R6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | S | 36.2 | Very low | 46.1 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | -63.7 | 147.8 | 174.6 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | R5 V9 | R5-S7 PolarHBondContact O-N 3Å; S7-V9 PolarHBondContact O-N 3.02Å | ||
| 8 | A | 41.4 | Very low | 46.7 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | trans | -67.1 | 125.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | A10 | A8-A10 PolarHBondContact O-N 3.4Å; A8-A10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | V | 47.5 | Very low | 47 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | trans | -72.2 | 106.5 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | S7 R290 | S7-V9 PolarHBondContact O-N 3.02Å; V9-R290 PolarHBondContact O-NH2 3.13Å | ||
| 10 | A | 53.7 | Low | 47.3 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 69% | 0.694 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 144.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A8 | A8-A10 PolarHBondContact O-N 3.4Å; A8-A10 VanDerWaalsContact O-N 3.09Å |
| 11 | L | 48.5 | Very low | 47.8 | Very low | 29 Ų | 29 | 118.1 Ų | 118.1 | 15% | 0.152 | 61% | 0.606 | C | S | . | * | P | Polyproline II helix | trans | -71 | 144.7 | 178.7 | -68.7 | 170.7 | 0 | 0 | 0 | 110.8 | S13 Q286 R290 | L11-S13 PolarHBondContact O-N 2.97Å; L11-Q286 HydrophobicContact CD1-CB 4.37Å; L11-Q286 HydrophobicContact CD1-CG 4.37Å; L11-R290 HydrophobicContact CD2-CG 3.62Å |
| 12 | S | 56.9 | Low | 48.7 | Very low | 37 Ų | 37 | 109.4 Ų | 109.4 | 26% | 0.259 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -46.9 | 137 | 166.1 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | R14 A15 H16 D304 | S12-R14 PolarHBondContact O-N 3.2Å; S12-A15 WeakPolarHBondContact O-CA 3.46Å; S12-A15 WeakPolarHBondContact O-CB 3.42Å; S12-A15 PolarHBondContact O-N 3.17Å; S12-H16 PolarHBondContact O-N 2.85Å; S12-D304 WeakPolarHBondContact CB-OD1 3.46Å |
| 13 | S | 50.9 | Low | 49.4 | Very low | 97 Ų | 97 | 109.1 Ų | 109.1 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.1 | -27.2 | 178.5 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | L11 | L11-S13 PolarHBondContact O-N 2.97Å |
| 14 | R | 51.1 | Low | 50.6 | Low | 171 Ų | 171 | 105.4 Ų | 105.4 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.8 | -25.8 | 175 | -153.2 | -174.7 | -172.7 | 162.9 | 5 | 113.4 | S12 F302 | S12-R14 PolarHBondContact O-N 3.2Å; R14-F302 HydrophobicContact CB-CD1 4.32Å; R14-F302 HydrophobicContact CB-CE1 4.42Å; R14-F302 HydrophobicContact CG-CD1 4.21Å; R14-F302 HydrophobicContact CG-CE1 3.85Å; R14-F302 WeakPolarHBondContact O-CE1 3.5Å |
| 15 | A | 56.6 | Low | 50.9 | Low | 5 Ų | 5 | 95.6 Ų | 95.6 | 4% | 0.041 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -80.2 | -35.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S12 A17 F18 I293 | S12-A15 WeakPolarHBondContact O-CA 3.46Å; S12-A15 WeakPolarHBondContact O-CB 3.42Å; S12-A15 PolarHBondContact O-N 3.17Å; A15-A17 PolarHBondContact O-N 3.27Å; A15-F18 PolarHBondContact O-N 3.43Å; A15-I293 HydrophobicContact CB-CD1 3.84Å |
| 16 | H | 58.5 | Low | 50.8 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 32% | 0.319 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.1 | -30 | 174.2 | -113.4 | -79.5 | 0 | 0 | 0 | 113.3 | S12 F18 S19 E21 A22 | S12-H16 PolarHBondContact O-N 2.85Å; H16-F18 PolarHBondContact O-N 3.31Å; H16-S19 PolarHBondContact O-N 2.88Å; H16-S19 PolarHBondContact O-OG 2.85Å; H16-E21 IonicContact CE1-OE2 3.59Å; H16-E21 PolarHBondContact CE1-OE2 3.3Å; H16-E21 IonicContact ND1-OE2 3.41Å; H16-A22 WeakPolarHBondContact O-CB 3.1Å |
| 17 | A | 51.7 | Low | 50.8 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A15 | A15-A17 PolarHBondContact O-N 3.27Š|
| 18 | F | 56.1 | Low | 50.9 | Low | 134 Ų | 134 | 88.4 Ų | 88.4 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 5.4 | 174.2 | -61 | -77.7 | 0 | 0 | 0 | 113.6 | A15 H16 F302 | A15-F18 PolarHBondContact O-N 3.43Å; H16-F18 PolarHBondContact O-N 3.31Å; F18-F302 HydrophobicContact CD2-CE1 4.47Å; F18-F302 AromaticContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CZ 4.02Å |
| 19 | S | 52 | Low | 50.9 | Low | 6 Ų | 6 | 94 Ų | 94 | 4% | 0.042 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -80.8 | 151.1 | 171.9 | 84.2 | 0 | 0 | 0 | 0 | 110.8 | H16 E21 A22 L23 | H16-S19 PolarHBondContact O-N 2.88Å; H16-S19 PolarHBondContact O-OG 2.85Å; S19-E21 PolarHBondContact O-N 2.95Å; S19-A22 PolarHBondContact O-N 2.88Å; S19-A22 VanDerWaalsContact O-N 3.09Å; S19-L23 PolarHBondContact O-N 3.35Å |
| 20 | V | 53.8 | Low | 50.2 | Low | 40 Ų | 40 | 100.2 Ų | 100.2 | 24% | 0.242 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -57.4 | -32 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | L23 I24 Y177 | V20-L23 PolarHBondContact O-N 3.32Å; V20-I24 HydrophobicContact CG1-CD1 3.49Å; V20-I24 VanDerWaalsContact CG1-CD1 3.49Å; V20-I24 HydrophobicContact CG1-CG1 4.09Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 WeakPolarHBondContact O-CG1 3.31Å; V20-I24 PolarHBondContact O-N 3.19Å; V20-Y177 WeakPolarHBondContact CG2-OH 3.35Å |
| 21 | E | 58.4 | Low | 49 | Very low | 146 Ų | 146 | 106 Ų | 106 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.2 | -37.9 | 176.8 | -172.4 | 176.3 | -147.6 | 0 | 0 | 113.1 | H16 S19 | H16-E21 IonicContact CE1-OE2 3.59Å; H16-E21 PolarHBondContact CE1-OE2 3.3Å; H16-E21 IonicContact ND1-OE2 3.41Å; S19-E21 PolarHBondContact O-N 2.95Å |
| 22 | A | 58.8 | Low | 48 | Very low | 54 Ų | 54 | 112.7 Ų | 112.7 | 45% | 0.446 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | H16 S19 | H16-A22 WeakPolarHBondContact O-CB 3.1Å; S19-A22 PolarHBondContact O-N 2.88Å; S19-A22 VanDerWaalsContact O-N 3.09Å |
| 23 | L | 48.7 | Very low | 46.7 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -80.3 | -31.2 | 179.8 | -75.6 | 164.5 | 0 | 0 | 0 | 113.7 | S19 V20 | S19-L23 PolarHBondContact O-N 3.35Å; V20-L23 PolarHBondContact O-N 3.32Å |
| 24 | I | 62.8 | Low | 45.6 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.5 | -32 | 178.6 | -72.5 | 176.5 | 0 | 0 | 0 | 112 | V20 | V20-I24 HydrophobicContact CG1-CD1 3.49Å; V20-I24 VanDerWaalsContact CG1-CD1 3.49Å; V20-I24 HydrophobicContact CG1-CG1 4.09Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 WeakPolarHBondContact O-CG1 3.31Å; V20-I24 PolarHBondContact O-N 3.19Å |
| 25 | G | 41.8 | Very low | 44.4 | Very low | 38 Ų | 38 | 126.8 Ų | 126.8 | 39% | 0.392 | 62% | 0.616 | S | S | . | * | trans | 75.6 | 147.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N27 | G25-N27 PolarHBondContact O-N 3.07Š| ||
| 26 | S | 42.1 | Very low | 43 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | trans | -76.8 | 89.3 | -177.4 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | K28 | S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact O-N 3.21Å | ||
| 27 | N | 38.6 | Very low | 41.7 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | trans | -60.8 | 90.6 | 172.8 | -95.2 | -44.7 | 0 | 0 | 0 | 111.3 | G25 K29 | G25-N27 PolarHBondContact O-N 3.07Å; N27-K29 PolarHBondContact O-N 3.23Å; N27-K29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | K | 38.5 | Very low | 40.5 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | trans | -60.8 | 112 | 171.9 | -78.9 | -176.2 | 174.4 | 178.9 | 0 | 109.3 | S26 R30 | S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact O-N 3.21Å; K28-R30 PolarHBondContact O-N 2.99Å; K28-R30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | K | 42.6 | Very low | 39.1 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 91% | 0.913 | 70% | 0.698 | S | S | * | * | trans | -45.9 | 116.4 | 170.7 | -74 | -175.6 | 174.3 | -176.9 | 0 | 110.2 | N27 | N27-K29 PolarHBondContact O-N 3.23Å; N27-K29 VanDerWaalsContact O-N 3.11Å | ||
| 30 | R | 31.2 | Very low | 38 | Very low | 237 Ų | 237 | 151 Ų | 151 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 142.5 | 157.3 | -107.7 | 179.8 | -77.2 | 177.3 | -2.5 | 108.1 | K28 | K28-R30 PolarHBondContact O-N 2.99Å; K28-R30 VanDerWaalsContact O-N 3.09Å |
| 31 | K | 30.1 | Very low | 36.7 | Very low | 206 Ų | 206 | 155.1 Ų | 155.1 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135.3 | -179.2 | -84.5 | -175.4 | 170.5 | -176.3 | 0 | 110.4 | ||
| 32 | L | 27.1 | Very low | 35.3 | Very low | 170 Ų | 170 | 156.7 Ų | 156.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 146.9 | 156.6 | -167.5 | 74.5 | 0 | 0 | 0 | 108.7 | ||
| 33 | R | 28.9 | Very low | 33.8 | Very low | 213 Ų | 213 | 159 Ų | 159 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -147.2 | 129 | 158.5 | -131.6 | -157.3 | -75.7 | -115.6 | 11 | 109.7 | ||||
| 34 | D | 28.4 | Very low | 33 | Very low | 130 Ų | 130 | 162 Ų | 162 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 13.7 | 121.9 | 159.8 | -32.1 | -36 | 0 | 0 | 0 | 119 | ||||
| 35 | W | 25.6 | Very low | 31.3 | Very low | 258 Ų | 258 | 165.5 Ų | 165.5 | 98% | 0.977 | 82% | 0.815 | S | S | * | * | trans | -156.5 | 94.3 | 140.6 | -95.1 | 96.1 | 0 | 0 | 0 | 108.3 | ||||
| 36 | E | 27.6 | Very low | 30.6 | Very low | 177 Ų | 177 | 167.5 Ų | 167.5 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -75.7 | 162.2 | 145.6 | -73.7 | 177.2 | 108.2 | 0 | 0 | 107.3 | ||||
| 37 | E | 30.9 | Very low | 29.8 | Very low | 160 Ų | 160 | 170.4 Ų | 170.4 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | cis | -156.2 | -179 | 34.9 | -161.1 | -144.8 | 136.9 | 0 | 0 | 109.9 | ||||
| 38 | K | 26.9 | Very low | 29.3 | Very low | 180 Ų | 180 | 168.8 Ų | 168.8 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | 69.1 | 99.4 | 176.2 | -52.2 | 176.9 | -176 | 179 | 0 | 114.4 | ||||
| 39 | G | 26.7 | Very low | 29.6 | Very low | 75 Ų | 75 | 165.6 Ų | 165.6 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | cis | 97.5 | 117.6 | 7.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 40 | L | 29.5 | Very low | 28.9 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | -150.6 | 142.5 | 158.7 | -103.8 | 176.8 | 0 | 0 | 0 | 107.5 | ||||
| 41 | D | 25.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 68% | 0.679 | 82% | 0.822 | S | S | * | * | trans | -104.9 | 141.3 | -168.8 | 174.3 | 36.1 | 0 | 0 | 0 | 111.9 | ||||
| 42 | L | 28.5 | Very low | 29.4 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -152.2 | 116.3 | 152.5 | -85.4 | -171.2 | 0 | 0 | 0 | 108.8 | ||||
| 43 | S | 28.3 | Very low | 29.6 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -96.5 | 167.3 | -174.3 | 37.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 44 | M | 30.8 | Very low | 29.6 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | trans | -143.1 | 102.3 | -178.3 | 179.2 | -176.1 | 67.3 | 0 | 0 | 111.5 | ||||
| 45 | E | 27.5 | Very low | 29.6 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -154 | 175.2 | 170 | -82.9 | -175.9 | 105.7 | 0 | 0 | 109.2 | ||||
| 46 | A | 28 | Very low | 29.9 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | -161.3 | 161.2 | -64.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 47 | L | 25.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | 73.4 | 159.8 | 163.1 | -54.2 | 176.9 | 0 | 0 | 0 | 120.2 | ||||
| 48 | S | 28.2 | Very low | 30 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -102.4 | -163.6 | -179.5 | -31.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 49 | P | 44.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -148 | -159 | 24.8 | 45 | -22 | 0 | 0 | 0 | 117.2 | ||||
| 50 | A | 27.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 103.1 | 144.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 51 | G | 24.5 | Very low | 31.5 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -108.4 | -139.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 52 | P | 46.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | -145 | -161.6 | 18.6 | 37.3 | -12.5 | 0 | 0 | 0 | 116.8 | ||||
| 53 | L | 31.7 | Very low | 31.7 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | 81.7 | 139.4 | 166 | -57.4 | 168 | 0 | 0 | 0 | 118.9 | ||||
| 54 | G | 28.2 | Very low | 31.8 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | cis | 174.7 | 162.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 55 | D | 30.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 57.5 | 153.3 | 165.3 | -70.3 | -0.7 | 0 | 0 | 0 | 120.5 | ||||
| 56 | T | 31 | Very low | 32.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | cis | -152.4 | 167.2 | 3 | -3.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 57 | D | 31.7 | Very low | 32.3 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 78.5 | 140.7 | 149.4 | -63.5 | -36.6 | 0 | 0 | 0 | 124 | ||||
| 58 | D | 29.9 | Very low | 33.5 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -122.2 | -162.5 | 180 | -132.1 | -21.8 | 0 | 0 | 0 | 107.1 | ||||
| 59 | P | 50.7 | Low | 33.4 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -131.8 | 155.2 | -0.6 | 40.1 | -22.7 | 0 | 0 | 0 | 117.3 | ||||
| 60 | A | 30 | Very low | 32.8 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 107.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 61 | T | 33.3 | Very low | 33 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -60.2 | 159 | 168.5 | 45.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 62 | H | 31 | Very low | 33.2 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | cis | -151.5 | 150.7 | -2.9 | -90.1 | -56.8 | 0 | 0 | 0 | 106.8 | ||||
| 63 | G | 26.9 | Very low | 32.6 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 78.9 | 134.1 | 80.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 64 | L | 30.2 | Very low | 32.4 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | cis | -157 | 175.2 | 5.2 | -79.9 | 171.2 | 0 | 0 | 0 | 111.8 | ||||
| 65 | E | 27.1 | Very low | 32.5 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -73.4 | -178.6 | 168.1 | -114.2 | -161.9 | 97.5 | 0 | 0 | 113.6 | ||||
| 66 | P | 38.6 | Very low | 32.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -143.8 | -161.6 | 19.8 | 41.8 | -18.4 | 0 | 0 | 0 | 117.7 | ||||
| 67 | H | 30.4 | Very low | 32.8 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -54.7 | 175.8 | 162.9 | -112 | -91.4 | 0 | 0 | 0 | 115.1 | ||||
| 68 | P | 51 | Low | 33 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | cis | -137.7 | -172.5 | -7 | 44.9 | -27.3 | 0 | 0 | 0 | 116.6 | ||||
| 69 | D | 26.4 | Very low | 33.2 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | 64.9 | 153 | 147.6 | -63.6 | -21 | 0 | 0 | 0 | 125.9 | ||||
| 70 | S | 32.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 83.6 | 114.7 | 152.9 | -65.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 71 | E | 30.7 | Very low | 32.5 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | 56.4 | 125 | 127.8 | -57.4 | -153.7 | 102.4 | 0 | 0 | 125.6 | |||||
| 72 | Q | 29 | Very low | 32.4 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | 65.8 | 131.3 | 124.4 | -168.4 | 175.2 | 109.1 | 0 | 0 | 122.3 | |||||
| 73 | S | 33 | Very low | 32.5 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | 167.3 | 141 | 120.2 | -172.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 74 | T | 29.3 | Very low | 33 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | 50.4 | 140.2 | 151.2 | 46.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 75 | G | 29.7 | Very low | 33.1 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | cis | 163.3 | 175.2 | 4.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 76 | S | 34.6 | Very low | 33.4 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | cis | -144.3 | -137.8 | -5.4 | 41.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 77 | D | 32 | Very low | 33 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | cis | -160.7 | -158.9 | 1.1 | -143.6 | -70.2 | 0 | 0 | 0 | 111.5 | ||||
| 78 | S | 35.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -82.3 | 167.4 | -177.5 | -40.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 79 | E | 34.4 | Very low | 32.3 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | cis | -154 | 175.4 | 19.7 | -92.1 | -153.7 | 109.9 | 0 | 0 | 109.6 | ||||
| 80 | V | 33.2 | Very low | 32.7 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 62% | 0.618 | 74% | 0.735 | S | S | * | * | cis | -175.4 | 163.9 | -30.6 | 78 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 81 | L | 32.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 130 Ų | 130 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 53.4 | 114.8 | 168.2 | -61.7 | 171.9 | 0 | 0 | 0 | 118.4 | ||||
| 82 | T | 32.4 | Very low | 33.4 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | 61.9 | 144.2 | 73.8 | 70.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 83 | E | 32.3 | Very low | 33.9 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 66% | 0.659 | 74% | 0.742 | S | S | * | * | cis | -158.1 | 140.3 | 37.3 | -117.1 | -169.4 | 97.1 | 0 | 0 | 114.5 | ||||
| 84 | R | 38 | Very low | 34.3 | Very low | 207 Ų | 207 | 129.9 Ų | 129.9 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | 66.1 | 153.2 | 123.3 | -146.5 | 170.7 | -178.5 | 177.8 | 2.6 | 124.6 | |||||
| 85 | T | 32.1 | Very low | 35 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | trans | 78.7 | 156.3 | 153 | -3.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 86 | S | 34.2 | Very low | 35.3 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | -159 | 152 | -64.8 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 87 | C | 28.3 | Very low | 35.6 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | 49.6 | 136.8 | 150.5 | 72 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 88 | S | 37.2 | Very low | 35.8 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 62.7 | 121.1 | 141.3 | -56.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 89 | F | 30.6 | Very low | 35.8 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | -174.9 | 173.5 | 93.2 | -166.1 | -108 | 0 | 0 | 0 | 112.1 | |||||
| 90 | S | 34.8 | Very low | 36.2 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 57% | 0.566 | 77% | 0.774 | S | S | * | * | trans | -90.5 | 162 | -171.8 | -43.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 91 | T | 35.4 | Very low | 36.5 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -130 | 154.9 | 152.7 | 40.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 92 | H | 42.3 | Very low | 37.3 | Very low | 167 Ų | 167 | 124 Ų | 124 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -147.5 | 133.8 | -164.1 | -146.6 | -83 | 0 | 0 | 0 | 109.6 | ||||
| 93 | T | 40.7 | Very low | 38 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | 155.2 | 147.1 | 157.6 | 44.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 94 | D | 40.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | cis | -162.1 | 162.7 | -37.4 | -144.2 | -22.6 | 0 | 0 | 0 | 110.4 | ||||
| 95 | L | 43.9 | Very low | 39.1 | Very low | 156 Ų | 156 | 117.8 Ų | 117.8 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | 32.4 | 108.8 | 157.6 | -77.8 | 157.3 | 0 | 0 | 0 | 121.3 | ||||
| 96 | A | 36.6 | Very low | 39.8 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -145.8 | 153.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 97 | S | 39.8 | Very low | 40.5 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -117.1 | 147.1 | -166.6 | -178.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 98 | G | 36.1 | Very low | 41.7 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 133.9 | 129.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 99 | G | 36.3 | Very low | 43.1 | Very low | 78 Ų | 78 | 114.9 Ų | 114.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 112.5 | 60.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G101 | G99-G101 PolarHBondContact O-N 2.64Š| ||
| 100 | A | 43.2 | Very low | 45.3 | Very low | 113 Ų | 113 | 106.4 Ų | 106.4 | 93% | 0.934 | 72% | 0.717 | S | S | * | * | trans | -72 | 75.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 101 | G | 40.2 | Very low | 47.1 | Very low | 53 Ų | 53 | 110.3 Ų | 110.3 | 55% | 0.546 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 147.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G99 V103 | G99-G101 PolarHBondContact O-N 2.64Å; G101-V103 PolarHBondContact O-N 3.16Å |
| 102 | P | 49.6 | Very low | 49.7 | Very low | 125 Ų | 125 | 109.8 Ų | 109.8 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.5 | 175.7 | 26.6 | -33.3 | 0 | 0 | 0 | 109 | ||
| 103 | V | 47.3 | Very low | 52.2 | Low | 132 Ų | 132 | 102 Ų | 102 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 124.4 | 169.3 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | G101 A105 | G101-V103 PolarHBondContact O-N 3.16Å; V103-A105 PolarHBondContact O-N 3.31Å; V103-A105 VanDerWaalsContact O-N 3.07Å |
| 104 | P | 48.3 | Very low | 54.9 | Low | 111 Ų | 111 | 101.7 Ų | 101.7 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.1 | 177.4 | 24.2 | -32.6 | 0 | 0 | 0 | 107.6 | A106 | P104-A106 PolarHBondContact O-N 3.43Å; P104-A106 VanDerWaalsContact O-N 3.07Å |
| 105 | A | 44.8 | Very low | 57.6 | Low | 91 Ų | 91 | 96.5 Ų | 96.5 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 121.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108 | V103 M107 | V103-A105 PolarHBondContact O-N 3.31Å; V103-A105 VanDerWaalsContact O-N 3.07Å; A105-M107 PolarHBondContact O-N 3.34Å |
| 106 | A | 46.3 | Very low | 60.2 | Low | 97 Ų | 97 | 93.9 Ų | 93.9 | 80% | 0.802 | 62% | 0.623 | S | S | * | * | trans | -53.4 | 111.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 109 | P104 S108 | P104-A106 PolarHBondContact O-N 3.43Å; P104-A106 VanDerWaalsContact O-N 3.07Å; A106-S108 PolarHBondContact O-N 2.72Å | ||
| 107 | M | 48.2 | Very low | 63.1 | Low | 151 Ų | 151 | 89.1 Ų | 89.1 | 74% | 0.744 | 58% | 0.582 | S | S | * | * | trans | -63.4 | 105.5 | -178.9 | -70.1 | -177.9 | 70.5 | 0 | 0 | 106.9 | A105 T109 | A105-M107 PolarHBondContact O-N 3.34Å; M107-T109 PolarHBondContact O-N 2.77Å | ||
| 108 | S | 54.2 | Low | 65.9 | Low | 40 Ų | 40 | 84.9 Ų | 84.9 | 28% | 0.28 | 55% | 0.548 | S | S | . | . | trans | -49 | 102 | -173 | 38.2 | 0 | 0 | 0 | 0 | 110 | A106 M110 D154 | A106-S108 PolarHBondContact O-N 2.72Å; S108-M110 PolarHBondContact O-N 2.83Å; S108-D154 WeakPolarHBondContact CB-OD2 3.47Å; S108-D154 WeakPolarHBondContact OG-CB 3.27Å; S108-D154 PolarHBondContact OG-OD2 3.46Å | ||
| 109 | T | 65.9 | Low | 68.7 | Low | 87 Ų | 87 | 85.4 Ų | 85.4 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | trans | -67.5 | 132.3 | -174.2 | 55.5 | 0 | 0 | 0 | 0 | 107.6 | M107 E111 E112 | M107-T109 PolarHBondContact O-N 2.77Å; T109-E111 PolarHBondContact O-N 2.97Å; T109-E112 PolarHBondContact O-N 3.42Å | ||
| 110 | M | 77.9 | Confident | 71.6 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 11% | 0.113 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -53.8 | -26.8 | 179.6 | -91.9 | -103.7 | 170.2 | 0 | 0 | 111.7 | S108 E112 I113 Y159 R248 D265 G266 K268 | S108-M110 PolarHBondContact O-N 2.83Å; M110-E112 VanDerWaalsContact C-N 3.29Å; M110-E112 PolarHBondContact O-N 2.79Å; M110-I113 HydrophobicContact CB-CD1 4.37Å; M110-I113 HydrophobicContact CE-CD1 4.02Å; M110-I113 HydrophobicContact CG-CD1 4.09Å; M110-I113 WeakPolarHBondContact O-CB 3.45Å; M110-I113 WeakPolarHBondContact O-CG1 3.41Å; M110-I113 PolarHBondContact O-N 2.82Å; M110-I113 HydrophobicContact SD-CD1 3.44Å; M110-I113 WeakPolarHBondContact SD-CD1 3.44Å; M110-Y159 HydrophobicContact CE-CD1 4.37Å; M110-Y159 HydrophobicContact CE-CE1 3.92Å; M110-R248 HydrophobicContact CE-CB 3.84Å; M110-R248 HydrophobicContact CE-CG 3.56Å; M110-D265 WeakPolarHBondContact CG-O 3.29Å; M110-G266 WeakPolarHBondContact CE-O 3.44Å; M110-K268 HydrophobicContact CB-CD 4.41Å; M110-K268 WeakPolarHBondContact O-CD 3.26Å; M110-K268 WeakPolarHBondContact O-CE 3.36Å; M110-K268 PolarHBondContact O-NZ 2.84Å; M110-K268 HydrophobicContact SD-CB 3.97Å; M110-K268 HydrophobicContact SD-CD 4.45Å; M110-K268 HydrophobicContact SD-CG 4.26Å |
| 111 | E | 72.8 | Confident | 74.2 | Confident | 162 Ų | 162 | 82.5 Ų | 82.5 | 76% | 0.757 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -45.3 | -39.3 | 177.2 | -59.5 | -174.6 | 134.1 | 0 | 0 | 115.2 | T109 I113 K268 | T109-E111 PolarHBondContact O-N 2.97Å; E111-I113 VanDerWaalsContact C-N 3.32Å; E111-I113 PolarHBondContact O-N 3.34Å; E111-K268 PolarHBondContact O-NZ 3.18Å |
| 112 | E | 89 | Confident | 76.9 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -70.7 | -25 | -178.9 | -169.6 | 173.7 | -179.1 | 0 | 0 | 113.5 | T109 M110 Q114 | T109-E112 PolarHBondContact O-N 3.42Å; M110-E112 VanDerWaalsContact C-N 3.29Å; M110-E112 PolarHBondContact O-N 2.79Å; E112-Q114 PolarHBondContact O-N 2.97Å |
| 113 | I | 95.2 | Very high | 79.2 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | trans | -60.9 | 123.9 | -173.5 | -55 | 166.8 | 0 | 0 | 0 | 111.6 | M110 E111 I150 T151 G152 L153 Y159 V246 K268 F270 | M110-I113 HydrophobicContact CB-CD1 4.37Å; M110-I113 HydrophobicContact CE-CD1 4.02Å; M110-I113 HydrophobicContact CG-CD1 4.09Å; M110-I113 WeakPolarHBondContact O-CB 3.45Å; M110-I113 WeakPolarHBondContact O-CG1 3.41Å; M110-I113 PolarHBondContact O-N 2.82Å; M110-I113 HydrophobicContact SD-CD1 3.44Å; M110-I113 WeakPolarHBondContact SD-CD1 3.44Å; E111-I113 VanDerWaalsContact C-N 3.32Å; E111-I113 PolarHBondContact O-N 3.34Å; I113-I150 HydrophobicContact CG2-CG2 4.19Å; I113-T151 WeakPolarHBondContact CA-O 3.38Å; I113-G152 WeakPolarHBondContact CG1-O 3.26Å; I113-L153 HydrophobicContact CD1-CD2 3.88Å; I113-L153 HydrophobicContact CG1-CD2 3.97Å; I113-L153 HydrophobicContact CG2-CD2 3.72Å; I113-Y159 HydrophobicContact CD1-CE1 4.25Å; I113-V246 HydrophobicContact CD1-CG1 4.23Å; I113-V246 HydrophobicContact CG2-CG1 4.42Å; I113-V246 HydrophobicContact CG2-CG2 4.39Å; I113-K268 HydrophobicContact CB-CD 3.98Å; I113-K268 HydrophobicContact CD1-CD 4.49Å; I113-K268 PolarHBondContact O-NZ 3.07Å; I113-F270 HydrophobicContact CG2-CE2 4.4Å; I113-F270 HydrophobicContact CG2-CZ 4.02Å; I113-F270 WeakPolarHBondContact O-CZ 3.5Å | ||
| 114 | Q | 96.3 | Very high | 81.7 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 59% | 0.593 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147.6 | 176.4 | -66.6 | 171.8 | 31.5 | 0 | 0 | 110.9 | E112 I150 T151 | E112-Q114 PolarHBondContact O-N 2.97Å; Q114-I150 WeakPolarHBondContact O-CA 3.2Å; Q114-T151 PolarHBondContact N-O 2.91Å; Q114-T151 PolarHBondContact O-N 3.34Å |
| 115 | V | 97.8 | Very high | 84.1 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 10% | 0.097 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 120.6 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | V148 K149 I150 V246 F270 F272 | V115-V148 HydrophobicContact CG1-CB 3.58Å; V115-V148 HydrophobicContact CG1-CG1 3.76Å; V115-V148 HydrophobicContact CG1-CG2 3.95Å; V115-K149 CarbonylContact C-O 3.58Å; V115-K149 WeakPolarHBondContact CA-O 3.47Å; V115-I150 HydrophobicContact CG1-CG1 4.48Å; V115-I150 HydrophobicContact CG2-CG1 4.22Å; V115-I150 HydrophobicContact CG2-CG2 4.08Å; V115-V246 HydrophobicContact CG2-CG2 4.12Å; V115-F270 HydrophobicContact CB-CB 4.33Å; V115-F270 HydrophobicContact CB-CD1 3.83Å; V115-F270 HydrophobicContact CB-CD2 4.02Å; V115-F270 HydrophobicContact CB-CE1 4.05Å; V115-F270 HydrophobicContact CB-CE2 4.23Å; V115-F270 HydrophobicContact CB-CG 3.79Å; V115-F270 HydrophobicContact CB-CZ 4.24Å; V115-F270 HydrophobicContact CG2-CD1 4Å; V115-F270 HydrophobicContact CG2-CD2 3.48Å; V115-F270 VanDerWaalsContact CG2-CD2 3.48Å; V115-F270 HydrophobicContact CG2-CE1 3.88Å; V115-F270 HydrophobicContact CG2-CE2 3.34Å; V115-F270 HydrophobicContact CG2-CG 3.8Å; V115-F270 HydrophobicContact CG2-CZ 3.54Å; V115-F272 HydrophobicContact CG1-CE2 4.45Å; V115-F272 HydrophobicContact CG1-CZ 4.05Å; V115-F272 WeakPolarHBondContact O-CZ 3.42Å |
| 116 | E | 98.1 | Very high | 86.6 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.3 | -173.8 | -172.5 | -154.8 | 148.6 | 0 | 0 | 110.7 | Q118 V148 K149 | E116-Q118 PolarHBondContact O-N 2.73Å; E116-Q118 PolarHBondContact O-NE2 3.16Å; E116-Q118 PolarHBondContact OE1-NE2 2.95Å; E116-Q118 PolarHBondContact OE2-NE2 3.39Å; E116-V148 VanDerWaalsContact O-CA 3.32Å; E116-V148 WeakPolarHBondContact O-CA 3.34Å; E116-K149 HydrophobicContact CB-CB 4.38Å; E116-K149 PolarHBondContact N-O 3.28Å; E116-K149 PolarHBondContact O-N 3.18Å; E116-K149 IonicContact OE2-NZ 3.87Å |
| 117 | L | 98.4 | Very high | 89.1 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 112 | 176.9 | 179.7 | 67.7 | 0 | 0 | 0 | 111.5 | A120 W123 M146 F272 E274 T275 | L117-A120 HydrophobicContact CD2-CB 4.25Å; L117-A120 HydrophobicContact CG-CB 4.43Å; L117-W123 HydrophobicContact CD2-CB 4.27Å; L117-W123 HydrophobicContact CD2-CG 4.13Å; L117-M146 HydrophobicContact CD1-CG 3.72Å; L117-M146 HydrophobicContact CD1-SD 4.47Å; L117-F272 HydrophobicContact CB-CD1 3.78Å; L117-F272 HydrophobicContact CB-CD2 4.15Å; L117-F272 HydrophobicContact CB-CE1 3.81Å; L117-F272 HydrophobicContact CB-CE2 4.18Å; L117-F272 HydrophobicContact CB-CG 3.95Å; L117-F272 HydrophobicContact CB-CZ 4.01Å; L117-F272 HydrophobicContact CD1-CD2 4.21Å; L117-F272 HydrophobicContact CD2-CB 3.99Å; L117-F272 HydrophobicContact CD2-CD1 4.47Å; L117-F272 HydrophobicContact CD2-CG 4.11Å; L117-F272 HydrophobicContact CG-CG 4.42Å; L117-E274 HydrophobicContact CD2-CG 3.72Å; L117-T275 HydrophobicContact CD1-CG2 4.01Å; L117-T275 HydrophobicContact CD2-CG2 3.62Å; L117-T275 HydrophobicContact CG-CG2 4.5Å |
| 118 | Q | 98.1 | Very high | 91.4 | Very high | 45 Ų | 45 | 68.3 Ų | 68.3 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 142.1 | 179.6 | -62.9 | -60.7 | -63.5 | 0 | 0 | 111.5 | E116 A120 R147 K149 V213 | E116-Q118 PolarHBondContact O-N 2.73Å; E116-Q118 PolarHBondContact O-NE2 3.16Å; E116-Q118 PolarHBondContact OE1-NE2 2.95Å; E116-Q118 PolarHBondContact OE2-NE2 3.39Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.24Å; Q118-R147 HydrophobicContact CB-CB 3.91Å; Q118-R147 PolarHBondContact N-O 3.37Å; Q118-K149 HydrophobicContact CG-CB 4.2Å; Q118-V213 HydrophobicContact CB-CG1 4.27Å; Q118-V213 HydrophobicContact CG-CG1 3.79Å; Q118-V213 HydrophobicContact CG-CG2 3.9Å |
| 119 | C | 94.8 | Very high | 93.5 | Very high | 88 Ų | 88 | 68.7 Ų | 68.7 | 60% | 0.595 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 35.5 | -171.9 | -58.6 | 0 | 0 | 0 | 0 | 114 | D121 L122 W123 | C119-D121 PolarHBondContact O-N 3.07Å; C119-D121 VanDerWaalsContact O-N 3.14Å; C119-L122 HydrophobicContact CB-CB 4.48Å; C119-L122 WeakPolarHBondContact O-CB 3.48Å; C119-L122 PolarHBondContact O-N 3.45Å; C119-W123 PolarHBondContact O-N 2.88Å |
| 120 | A | 96.8 | Very high | 95 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -50.6 | -36.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L117 Q118 L122 W123 K124 | L117-A120 HydrophobicContact CD2-CB 4.25Å; L117-A120 HydrophobicContact CG-CB 4.43Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.24Å; A120-L122 PolarHBondContact O-N 2.99Å; A120-L122 VanDerWaalsContact O-N 3.16Å; A120-W123 WeakPolarHBondContact O-CA 3.35Å; A120-W123 WeakPolarHBondContact O-CB 3.43Å; A120-W123 PolarHBondContact O-N 2.88Å; A120-K124 WeakPolarHBondContact O-CG 3.37Å; A120-K124 PolarHBondContact O-N 2.91Å |
| 121 | D | 97.8 | Very high | 96 | Very high | 109 Ų | 109 | 64.8 Ų | 64.8 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.9 | -21.1 | 176.1 | -66.4 | -13 | 0 | 0 | 0 | 114.9 | C119 R125 | C119-D121 PolarHBondContact O-N 3.07Å; C119-D121 VanDerWaalsContact O-N 3.14Å; D121-R125 WeakPolarHBondContact O-CD 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.44Å; D121-R125 PolarHBondContact O-NE 3.15Å; D121-R125 VanDerWaalsContact O-NE 3.11Å |
| 122 | L | 97.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 57 Ų | 57 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83.6 | -37.7 | 172.1 | -177.2 | 62.2 | 0 | 0 | 0 | 110.7 | C119 A120 F126 F143 P144 R295 | C119-L122 HydrophobicContact CB-CB 4.48Å; C119-L122 WeakPolarHBondContact O-CB 3.48Å; C119-L122 PolarHBondContact O-N 3.45Å; A120-L122 PolarHBondContact O-N 2.99Å; A120-L122 VanDerWaalsContact O-N 3.16Å; L122-F126 HydrophobicContact CD1-CD2 4.35Å; L122-F126 HydrophobicContact CD1-CE2 3.96Å; L122-F126 HydrophobicContact CG-CD2 4.34Å; L122-F126 HydrophobicContact CG-CE2 4.17Å; L122-F126 VanDerWaalsContact O-CD2 3.28Å; L122-F126 WeakPolarHBondContact O-CD2 3.24Å; L122-F126 PolarHBondContact O-N 3.1Å; L122-F143 HydrophobicContact CD2-CZ 4.26Å; L122-P144 HydrophobicContact CD2-CB 4.17Å; L122-P144 HydrophobicContact CD2-CG 3.92Å; L122-P144 HydrophobicContact CG-CG 3.87Å; L122-R295 HydrophobicContact CD1-CB 4Å; L122-R295 HydrophobicContact CD1-CG 3.85Å |
| 123 | W | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 174.2 | -79.3 | 104.1 | 0 | 0 | 0 | 111.7 | L117 C119 A120 R125 F126 H127 T131 M133 P144 M146 E274 T275 | L117-W123 HydrophobicContact CD2-CB 4.27Å; L117-W123 HydrophobicContact CD2-CG 4.13Å; C119-W123 PolarHBondContact O-N 2.88Å; A120-W123 WeakPolarHBondContact O-CA 3.35Å; A120-W123 WeakPolarHBondContact O-CB 3.43Å; A120-W123 PolarHBondContact O-N 2.88Å; W123-R125 PolarHBondContact O-N 2.94Å; W123-F126 WeakPolarHBondContact O-CA 3.34Å; W123-F126 WeakPolarHBondContact O-CB 3.46Å; W123-F126 PolarHBondContact O-N 3.35Å; W123-H127 PolarHBondContact O-N 2.87Å; W123-T131 HydrophobicContact CZ3-CG2 4.46Å; W123-M133 HydrophobicContact CH2-CE 3.56Å; W123-M133 HydrophobicContact CZ3-CE 3.7Å; W123-P144 HydrophobicContact CD2-CB 4.24Å; W123-P144 HydrophobicContact CD2-CG 4.09Å; W123-P144 HydrophobicContact CE3-CG 4.42Å; W123-P144 HydrophobicContact CG-CG 4.47Å; W123-P144 HydrophobicContact CZ2-CB 3.88Å; W123-P144 HydrophobicContact CZ2-CG 4.43Å; W123-P144 VanDerWaalsContact CZ2-O 3.32Å; W123-P144 WeakPolarHBondContact CZ2-O 3.49Å; W123-M146 HydrophobicContact CZ2-CB 4.19Å; W123-M146 HydrophobicContact CZ2-CG 4.5Å; W123-E274 HydrophobicContact CB-CB 4.36Å; W123-E274 HydrophobicContact CB-CG 3.82Å; W123-T275 HydrophobicContact CD2-CG2 3.84Å; W123-T275 HydrophobicContact CE3-CG2 3.94Å; W123-T275 HydrophobicContact CG-CG2 4.23Å; W123-T275 HydrophobicContact CH2-CG2 4.48Å; W123-T275 HydrophobicContact CZ2-CG2 4.42Å; W123-T275 HydrophobicContact CZ3-CG2 4.25Å |
| 124 | K | 98.3 | Very high | 97.8 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 41% | 0.413 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -52.6 | -50 | 175.8 | -69.3 | 170.2 | -174.1 | 176 | 0 | 111.6 | A120 F126 H127 D128 E274 | A120-K124 WeakPolarHBondContact O-CG 3.37Å; A120-K124 PolarHBondContact O-N 2.91Å; K124-F126 PolarHBondContact O-N 3Å; K124-F126 VanDerWaalsContact O-N 3.11Å; K124-H127 CarbonylContact O-C 3.54Å; K124-H127 WeakPolarHBondContact O-CA 3.44Å; K124-H127 WeakPolarHBondContact O-CB 3.33Å; K124-H127 PolarHBondContact O-N 2.68Å; K124-D128 PolarHBondContact O-N 3.47Å; K124-D128 VanDerWaalsContact O-OD2 3.11Å; K124-E274 WeakPolarHBondContact CE-OE1 3Å; K124-E274 HydrophobicContact CG-CB 3.91Å; K124-E274 HydrophobicContact CG-CG 4.1Å; K124-E274 IonicContact NZ-OE1 3.99Å |
| 125 | R | 98.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -23.9 | 175.4 | -68 | 173.1 | -151.5 | -123.6 | 7.1 | 115.3 | D121 W123 D128 I129 L291 | D121-R125 WeakPolarHBondContact O-CD 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.44Å; D121-R125 PolarHBondContact O-NE 3.15Å; D121-R125 VanDerWaalsContact O-NE 3.11Å; W123-R125 PolarHBondContact O-N 2.94Å; R125-D128 WeakPolarHBondContact CA-OD2 3.43Å; R125-I129 WeakPolarHBondContact O-CD1 3.21Å; R125-I129 WeakPolarHBondContact O-CG1 3.34Å; R125-L291 HydrophobicContact CB-CD2 4.15Å; R125-L291 VanDerWaalsContact O-CD2 3.29Å; R125-L291 WeakPolarHBondContact O-CD2 3.46Å |
| 126 | F | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -82.8 | -39.8 | 170.1 | -84.4 | -69.1 | 0 | 0 | 0 | 111.2 | L122 W123 K124 I129 G130 T131 F143 P144 I288 L291 K292 | L122-F126 HydrophobicContact CD1-CD2 4.35Å; L122-F126 HydrophobicContact CD1-CE2 3.96Å; L122-F126 HydrophobicContact CG-CD2 4.34Å; L122-F126 HydrophobicContact CG-CE2 4.17Å; L122-F126 VanDerWaalsContact O-CD2 3.28Å; L122-F126 WeakPolarHBondContact O-CD2 3.24Å; L122-F126 PolarHBondContact O-N 3.1Å; W123-F126 WeakPolarHBondContact O-CA 3.34Å; W123-F126 WeakPolarHBondContact O-CB 3.46Å; W123-F126 PolarHBondContact O-N 3.35Å; K124-F126 PolarHBondContact O-N 3Å; K124-F126 VanDerWaalsContact O-N 3.11Å; F126-I129 PolarHBondContact O-N 2.92Å; F126-G130 CarbonylContact O-C 3.51Å; F126-G130 PolarHBondContact O-N 3Å; F126-G130 VanDerWaalsContact O-N 3.12Å; F126-T131 HydrophobicContact CB-CG2 4.07Å; F126-T131 WeakPolarHBondContact CB-OG1 3.44Å; F126-T131 PolarHBondContact O-N 3.3Å; F126-T131 PolarHBondContact O-OG1 3.14Å; F126-F143 HydrophobicContact CE2-CD1 4.26Å; F126-F143 AromaticContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CZ-CD1 4.14Å; F126-F143 AromaticContact CZ-CE1 3.9Å; F126-F143 HydrophobicContact CZ-CE1 3.9Å; F126-P144 HydrophobicContact CD2-CG 3.61Å; F126-P144 HydrophobicContact CE2-CG 3.75Å; F126-I288 HydrophobicContact CD1-CD1 3.95Å; F126-I288 HydrophobicContact CD1-CG2 4.4Å; F126-I288 HydrophobicContact CE1-CG2 4.29Å; F126-L291 HydrophobicContact CD1-CD2 3.64Å; F126-L291 HydrophobicContact CD1-CG 4.21Å; F126-L291 HydrophobicContact CD2-CD2 4.12Å; F126-L291 HydrophobicContact CE1-CB 3.8Å; F126-L291 HydrophobicContact CE1-CD2 3.63Å; F126-L291 HydrophobicContact CE1-CG 3.65Å; F126-L291 HydrophobicContact CE2-CD2 4.11Å; F126-L291 HydrophobicContact CE2-CG 4.12Å; F126-L291 HydrophobicContact CG-CD2 3.88Å; F126-L291 HydrophobicContact CZ-CB 4.09Å; F126-L291 HydrophobicContact CZ-CD2 3.87Å; F126-L291 HydrophobicContact CZ-CG 3.6Å; F126-K292 HydrophobicContact CE1-CD 3.57Å; F126-K292 HydrophobicContact CE1-CG 3.89Å; F126-K292 HydrophobicContact CZ-CD 3.74Å; F126-K292 HydrophobicContact CZ-CG 4.24Å |
| 127 | H | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.375 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 177.5 | -171.4 | 89.7 | 0 | 0 | 0 | 112.2 | W123 K124 I129 G130 T131 P273 E274 | W123-H127 PolarHBondContact O-N 2.87Å; K124-H127 CarbonylContact O-C 3.54Å; K124-H127 WeakPolarHBondContact O-CA 3.44Å; K124-H127 WeakPolarHBondContact O-CB 3.33Å; K124-H127 PolarHBondContact O-N 2.68Å; H127-I129 PolarHBondContact O-N 3.47Å; H127-G130 PolarHBondContact O-N 3.36Å; H127-T131 WeakPolarHBondContact CA-OG1 3.34Å; H127-T131 PolarHBondContact N-OG1 2.88Å; H127-P273 PolarHBondContact CE1-O 2.89Å; H127-P273 PolarHBondContact ND1-O 2.83Å; H127-E274 HydrophobicContact CB-CB 4.25Å |
| 128 | D | 98.1 | Very high | 97.8 | Very high | 126 Ų | 126 | 52.6 Ų | 52.6 | 67% | 0.674 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27 | 177.1 | -57 | -30 | 0 | 0 | 0 | 113.2 | K124 R125 | K124-D128 PolarHBondContact O-N 3.47Å; K124-D128 VanDerWaalsContact O-OD2 3.11Å; R125-D128 WeakPolarHBondContact CA-OD2 3.43Å |
| 129 | I | 96.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 51 Ų | 51 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -11.9 | -178.4 | -56.1 | 176.5 | 0 | 0 | 0 | 111.3 | R125 F126 H127 N285 Q287 I288 L291 | R125-I129 WeakPolarHBondContact O-CD1 3.21Å; R125-I129 WeakPolarHBondContact O-CG1 3.34Å; F126-I129 PolarHBondContact O-N 2.92Å; H127-I129 PolarHBondContact O-N 3.47Å; I129-N285 VanDerWaalsContact CG2-ND2 3.32Å; I129-N285 WeakPolarHBondContact CG2-ND2 3.32Å; I129-N285 PolarHBondContact O-ND2 2.89Å; I129-Q287 HydrophobicContact CD1-CB 4.49Å; I129-Q287 HydrophobicContact CG2-CB 3.61Å; I129-I288 HydrophobicContact CB-CD1 3.69Å; I129-I288 HydrophobicContact CG2-CD1 3.45Å; I129-I288 VanDerWaalsContact CG2-CD1 3.45Å; I129-I288 HydrophobicContact CG2-CG1 3.75Å; I129-L291 HydrophobicContact CD1-CD2 3.93Å |
| 130 | G | 97.4 | Very high | 98 | Very high | 24 Ų | 24 | 53 Ų | 53 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | trans | 83.5 | 90.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F126 H127 E132 I288 | F126-G130 CarbonylContact O-C 3.51Å; F126-G130 PolarHBondContact O-N 3Å; F126-G130 VanDerWaalsContact O-N 3.12Å; H127-G130 PolarHBondContact O-N 3.36Å; G130-E132 PolarHBondContact O-N 3.13Å; G130-I288 VanDerWaalsContact O-CD1 3.27Å; G130-I288 WeakPolarHBondContact O-CD1 3.32Å | ||
| 131 | T | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | trans | -54.4 | 124.7 | -176.3 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | W123 F126 H127 M133 V276 F277 T278 | W123-T131 HydrophobicContact CZ3-CG2 4.46Å; F126-T131 HydrophobicContact CB-CG2 4.07Å; F126-T131 WeakPolarHBondContact CB-OG1 3.44Å; F126-T131 PolarHBondContact O-N 3.3Å; F126-T131 PolarHBondContact O-OG1 3.14Å; H127-T131 WeakPolarHBondContact CA-OG1 3.34Å; H127-T131 PolarHBondContact N-OG1 2.88Å; T131-M133 HydrophobicContact CG2-CE 4.12Å; T131-V276 WeakPolarHBondContact CB-O 3.41Å; T131-V276 PolarHBondContact OG1-O 2.95Å; T131-F277 HydrophobicContact CG2-CB 3.64Å; T131-F277 CarbonylContact O-C 3.51Å; T131-F277 VanDerWaalsContact O-CA 3.24Å; T131-F277 WeakPolarHBondContact O-CA 3.4Å; T131-F277 WeakPolarHBondContact O-CB 3.48Å; T131-T278 PolarHBondContact O-N 3.21Å | ||
| 132 | E | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 141.9 | 169.5 | -60.4 | 176.9 | -163.2 | 0 | 0 | 111.4 | G130 W182 T278 V280 Y283 Q284 N285 I288 K292 | G130-E132 PolarHBondContact O-N 3.13Å; E132-W182 HydrophobicContact CG-CZ2 4.03Å; E132-T278 CarbonylContact C-O 3.52Å; E132-T278 VanDerWaalsContact CA-O 3.31Å; E132-T278 WeakPolarHBondContact CA-O 3.49Å; E132-V280 HydrophobicContact CB-CG2 4.01Å; E132-V280 HydrophobicContact CG-CG1 4.43Å; E132-Y283 HydrophobicContact CB-CD1 3.94Å; E132-Y283 HydrophobicContact CB-CE1 4.24Å; E132-Y283 WeakPolarHBondContact OE2-CA 3.4Å; E132-Q284 PolarHBondContact OE2-N 3.34Å; E132-N285 VanDerWaalsContact OE1-CB 3.27Å; E132-N285 WeakPolarHBondContact OE1-CB 3.4Å; E132-N285 PolarHBondContact OE1-N 3.15Å; E132-I288 HydrophobicContact CB-CG2 4.1Å; E132-I288 HydrophobicContact CG-CG1 4.28Å; E132-K292 WeakPolarHBondContact O-CE 3.42Å; E132-K292 PolarHBondContact O-NZ 2.72Å |
| 133 | M | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.8 | 172.5 | -67.8 | -63.8 | -172.3 | 0 | 0 | 111.2 | W123 T131 M142 L221 F277 T278 V280 | W123-M133 HydrophobicContact CH2-CE 3.56Å; W123-M133 HydrophobicContact CZ3-CE 3.7Å; T131-M133 HydrophobicContact CG2-CE 4.12Å; M133-M142 HydrophobicContact CE-CB 4.18Å; M133-M142 HydrophobicContact SD-CB 4.22Å; M133-L221 HydrophobicContact CB-CD1 4Å; M133-L221 HydrophobicContact CG-CD1 4.48Å; M133-F277 HydrophobicContact CB-CD2 3.66Å; M133-F277 HydrophobicContact CB-CE2 3.83Å; M133-F277 HydrophobicContact CB-CG 4.09Å; M133-F277 HydrophobicContact CB-CZ 4.36Å; M133-F277 HydrophobicContact CE-CD1 4.14Å; M133-F277 HydrophobicContact CG-CB 3.85Å; M133-F277 HydrophobicContact CG-CD1 3.63Å; M133-F277 HydrophobicContact CG-CD2 3.52Å; M133-F277 HydrophobicContact CG-CE1 3.94Å; M133-F277 HydrophobicContact CG-CE2 3.87Å; M133-F277 HydrophobicContact CG-CG 3.4Å; M133-F277 HydrophobicContact CG-CZ 4.06Å; M133-T278 PolarHBondContact N-O 3.2Å; M133-V280 PolarHBondContact O-N 3.26Å |
| 134 | I | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.7 | 177.5 | -63.7 | -79.3 | 0 | 0 | 0 | 109.8 | T136 R140 V280 Y283 | I134-T136 HydrophobicContact CG2-CG2 3.94Å; I134-R140 HydrophobicContact CB-CG 4.13Å; I134-R140 HydrophobicContact CG2-CG 3.99Å; I134-R140 VanDerWaalsContact O-CB 3.31Å; I134-R140 WeakPolarHBondContact O-CB 3.16Å; I134-R140 WeakPolarHBondContact O-CG 3.28Å; I134-V280 CarbonylContact C-O 3.5Å; I134-V280 VanDerWaalsContact CA-O 3.26Å; I134-V280 WeakPolarHBondContact CA-O 3.42Å; I134-V280 HydrophobicContact CD1-CG2 3.99Å; I134-Y283 HydrophobicContact CD1-CD1 4.06Å; I134-Y283 HydrophobicContact CD1-CD2 4.12Å; I134-Y283 HydrophobicContact CD1-CE1 4.04Å; I134-Y283 HydrophobicContact CD1-CE2 4.1Å; I134-Y283 HydrophobicContact CD1-CG 4.1Å; I134-Y283 HydrophobicContact CG1-CD1 4.17Å; I134-Y283 HydrophobicContact CG1-CD2 4.34Å; I134-Y283 HydrophobicContact CG1-CE1 3.62Å; I134-Y283 HydrophobicContact CG1-CE2 3.82Å; I134-Y283 HydrophobicContact CG1-CG 4.5Å; I134-Y283 VanDerWaalsContact CG1-CZ 3.41Å |
| 135 | I | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -112 | 143.2 | 170.1 | 64.3 | 176.9 | 0 | 0 | 0 | 110.5 | L221 N223 L234 T279 V280 T281 | I135-L221 HydrophobicContact CG2-CB 3.76Å; I135-L221 HydrophobicContact CG2-CD1 4.39Å; I135-N223 HydrophobicContact CB-CB 4.47Å; I135-N223 HydrophobicContact CD1-CB 3.63Å; I135-N223 HydrophobicContact CG1-CB 3.94Å; I135-L234 WeakPolarHBondContact CD1-O 3.46Å; I135-T279 HydrophobicContact CG2-CG2 3.88Å; I135-V280 PolarHBondContact N-O 3.28Å; I135-T281 HydrophobicContact CG1-CG2 4.39Å | ||
| 136 | T | 98.3 | Very high | 98.1 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 31% | 0.307 | 23% | 0.229 | S | C | . | . | trans | -146.4 | 154.9 | 179.3 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | I134 A138 G139 R140 T222 N223 | I134-T136 HydrophobicContact CG2-CG2 3.94Å; T136-A138 PolarHBondContact O-N 3.1Å; T136-A138 VanDerWaalsContact O-N 3.08Å; T136-G139 PolarHBondContact O-N 3.29Å; T136-R140 HydrophobicContact CG2-CB 4.34Å; T136-T222 WeakPolarHBondContact O-CA 3.22Å; T136-T222 PolarHBondContact O-OG1 3.16Å; T136-T222 VanDerWaalsContact O-OG1 3.06Å; T136-N223 WeakPolarHBondContact CA-OD1 3.03Å | ||
| 137 | K | 97.1 | Very high | 98.1 | Very high | 153 Ų | 153 | 49.8 Ų | 49.8 | 67% | 0.665 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -33.5 | -179 | -173.8 | 175.7 | -177.4 | 177.5 | 0 | 114.6 | T222 N223 N224 | K137-T222 PolarHBondContact O-OG1 2.81Å; K137-N223 PolarHBondContact N-OD1 3.35Å; K137-N224 HydrophobicContact CG-CB 4.15Å |
| 138 | A | 97.2 | Very high | 98.1 | Very high | 72 Ų | 72 | 46 Ų | 46 | 60% | 0.595 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T136 K220 H231 | T136-A138 PolarHBondContact O-N 3.1Å; T136-A138 VanDerWaalsContact O-N 3.08Å; A138-K220 PolarHBondContact O-NZ 3Å; A138-H231 PolarHBondContact O-CE1 3.18Å |
| 139 | G | 97.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | trans | 76.5 | 126.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T136 K220 L221 | T136-G139 PolarHBondContact O-N 3.29Å; G139-K220 WeakPolarHBondContact O-CE 3.49Å; G139-L221 CarbonylContact C-O 3.42Å; G139-L221 WeakPolarHBondContact CA-O 3.37Å | ||
| 140 | R | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 41.9 Ų | 41.9 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.3 | -178.8 | -174.7 | 68.1 | 176.4 | -171.5 | -2.3 | 111.3 | I134 T136 K220 L221 | I134-R140 HydrophobicContact CB-CG 4.13Å; I134-R140 HydrophobicContact CG2-CG 3.99Å; I134-R140 VanDerWaalsContact O-CB 3.31Å; I134-R140 WeakPolarHBondContact O-CB 3.16Å; I134-R140 WeakPolarHBondContact O-CG 3.28Å; T136-R140 HydrophobicContact CG2-CB 4.34Å; R140-K220 CarbonylContact O-C 3.57Å; R140-K220 VanDerWaalsContact O-CA 3.31Å; R140-K220 WeakPolarHBondContact O-CA 3.47Å; R140-L221 PolarHBondContact N-O 3.37Å; R140-L221 PolarHBondContact O-N 3.01Å |
| 141 | R | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 43.2 Ų | 43.2 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141.6 | 175.2 | -70.3 | 175.6 | 175.7 | -142.2 | 10.7 | 111.7 | D217 L219 K220 | R141-D217 WeakPolarHBondContact CD-O 3.48Å; R141-D217 WeakPolarHBondContact CG-O 3.48Å; R141-D217 VanDerWaalsContact CZ-O 3.3Å; R141-D217 PolarHBondContact NE-O 3.12Å; R141-D217 PolarHBondContact NH1-O 2.86Å; R141-D217 IonicContact NH1-OD2 3.28Å; R141-D217 PolarHBondContact NH1-OD2 2.96Å; R141-L219 WeakPolarHBondContact CA-O 3.3Å; R141-K220 HydrophobicContact CG-CG 4.13Å |
| 142 | M | 98.3 | Very high | 98 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | trans | -64.6 | 148.8 | 174.9 | -59.9 | -165.1 | -65.9 | 0 | 0 | 111.7 | M133 P144 M146 M163 I165 L219 L221 F277 | M133-M142 HydrophobicContact CE-CB 4.18Å; M133-M142 HydrophobicContact SD-CB 4.22Å; M142-P144 CarbonylContact C-O 3.59Å; M142-M146 HydrophobicContact CE-CB 4.36Å; M142-M163 HydrophobicContact CE-SD 4.03Å; M142-I165 HydrophobicContact SD-CD1 4.33Å; M142-L219 HydrophobicContact CE-CD1 4.31Å; M142-L219 HydrophobicContact CE-CD2 4.1Å; M142-L219 HydrophobicContact CG-CD2 4.38Å; M142-L219 HydrophobicContact SD-CD2 4.33Å; M142-L221 HydrophobicContact CG-CD1 3.84Å; M142-L221 HydrophobicContact CG-CD2 4.28Å; M142-L221 HydrophobicContact CG-CG 3.95Å; M142-L221 HydrophobicContact SD-CD1 4.24Å; M142-L221 HydrophobicContact SD-CD2 4.29Å; M142-F277 HydrophobicContact SD-CE1 4.07Å; M142-F277 HydrophobicContact SD-CZ 4.47Å | ||
| 143 | F | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -142.2 | 120.1 | 165 | -174 | -90.9 | 0 | 0 | 0 | 111 | L122 F126 K292 R295 N296 | L122-F143 HydrophobicContact CD2-CZ 4.26Å; F126-F143 HydrophobicContact CE2-CD1 4.26Å; F126-F143 AromaticContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CZ-CD1 4.14Å; F126-F143 AromaticContact CZ-CE1 3.9Å; F126-F143 HydrophobicContact CZ-CE1 3.9Å; F143-K292 HydrophobicContact CD1-CD 3.86Å; F143-K292 PolarHBondContact O-NZ 3.44Å; F143-R295 HydrophobicContact CE1-CB 4.02Å; F143-R295 VanDerWaalsContact CZ-C 3.44Å; F143-R295 HydrophobicContact CZ-CB 3.99Å; F143-R295 WeakPolarHBondContact CZ-O 3.31Å; F143-N296 HydrophobicContact CD1-CB 3.88Å; F143-N296 HydrophobicContact CD2-CB 3.9Å; F143-N296 HydrophobicContact CE1-CB 3.8Å; F143-N296 HydrophobicContact CE2-CB 3.83Å; F143-N296 HydrophobicContact CG-CB 3.94Å; F143-N296 VanDerWaalsContact CZ-CA 3.42Å; F143-N296 HydrophobicContact CZ-CB 3.79Å |
| 144 | P | 98.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | S | Bend | cis | -60.4 | 153.1 | 0.3 | -19.5 | 32.9 | 0 | 0 | 0 | 112.3 | L122 W123 F126 M142 | L122-P144 HydrophobicContact CD2-CB 4.17Å; L122-P144 HydrophobicContact CD2-CG 3.92Å; L122-P144 HydrophobicContact CG-CG 3.87Å; W123-P144 HydrophobicContact CD2-CB 4.24Å; W123-P144 HydrophobicContact CD2-CG 4.09Å; W123-P144 HydrophobicContact CE3-CG 4.42Å; W123-P144 HydrophobicContact CG-CG 4.47Å; W123-P144 HydrophobicContact CZ2-CB 3.88Å; W123-P144 HydrophobicContact CZ2-CG 4.43Å; W123-P144 VanDerWaalsContact CZ2-O 3.32Å; W123-P144 WeakPolarHBondContact CZ2-O 3.49Å; F126-P144 HydrophobicContact CD2-CG 3.61Å; F126-P144 HydrophobicContact CE2-CG 3.75Å; M142-P144 CarbonylContact C-O 3.59Å |
| 145 | A | 97.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 135.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | R147 D217 | A145-R147 PolarHBondContact O-N 2.72Å; A145-D217 HydrophobicContact CB-CB 3.75Å |
| 146 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 134.2 | 173.4 | -157.8 | -158.6 | -66.7 | 0 | 0 | 109.2 | L117 W123 M142 V148 M163 F216 P242 V244 | L117-M146 HydrophobicContact CD1-CG 3.72Å; L117-M146 HydrophobicContact CD1-SD 4.47Å; W123-M146 HydrophobicContact CZ2-CB 4.19Å; W123-M146 HydrophobicContact CZ2-CG 4.5Å; M142-M146 HydrophobicContact CE-CB 4.36Å; M146-V148 HydrophobicContact SD-CG1 4.21Å; M146-M163 HydrophobicContact CB-CE 3.97Å; M146-M163 HydrophobicContact CE-CE 3.36Å; M146-M163 HydrophobicContact CE-SD 4.05Å; M146-M163 HydrophobicContact CG-CE 4.26Å; M146-M163 HydrophobicContact SD-CE 3.35Å; M146-M163 WeakPolarHBondContact SD-CE 3.44Å; M146-F216 PolarHBondContact O-N 2.81Å; M146-P242 HydrophobicContact CE-CB 3.31Å; M146-P242 HydrophobicContact CE-CG 4.27Å; M146-V244 HydrophobicContact CE-CG2 4.28Å; M146-V244 HydrophobicContact SD-CG2 3.43Å; M146-V244 WeakPolarHBondContact SD-CG2 3.4Å |
| 147 | R | 98.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.8 | 179.1 | -74.2 | -177.3 | 167.9 | 180 | -3.9 | 108 | Q118 A145 V213 V214 S215 | Q118-R147 HydrophobicContact CB-CB 3.91Å; Q118-R147 PolarHBondContact N-O 3.37Å; A145-R147 PolarHBondContact O-N 2.72Å; R147-V213 HydrophobicContact CB-CG1 3.8Å; R147-V213 HydrophobicContact CG-CG1 4.39Å; R147-V214 VanDerWaalsContact CA-O 3.26Å; R147-V214 WeakPolarHBondContact CA-O 3.49Å; R147-S215 PolarHBondContact NE-OG 2.96Å; R147-S215 VanDerWaalsContact NE-OG 3.14Å |
| 148 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.3 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 111 | V115 E116 M146 I150 V213 V214 F216 V244 F272 | V115-V148 HydrophobicContact CG1-CB 3.58Å; V115-V148 HydrophobicContact CG1-CG1 3.76Å; V115-V148 HydrophobicContact CG1-CG2 3.95Å; E116-V148 VanDerWaalsContact O-CA 3.32Å; E116-V148 WeakPolarHBondContact O-CA 3.34Å; M146-V148 HydrophobicContact SD-CG1 4.21Å; V148-I150 HydrophobicContact CG2-CD1 4.42Å; V148-I150 HydrophobicContact CG2-CG1 4.2Å; V148-V213 CarbonylContact O-C 3.6Å; V148-V214 HydrophobicContact CG2-CB 4.04Å; V148-V214 PolarHBondContact N-O 3.11Å; V148-V214 PolarHBondContact O-N 3.16Å; V148-F216 HydrophobicContact CG2-CE2 4.21Å; V148-V244 HydrophobicContact CG1-CG2 4.24Å; V148-V244 HydrophobicContact CG2-CG1 4.44Å; V148-F272 HydrophobicContact CG1-CE2 4.02Å; V148-F272 HydrophobicContact CG1-CZ 4.46Å |
| 149 | K | 98.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.6 | 164.7 | -179.9 | -175.9 | 165.7 | -156.3 | 0 | 107.3 | V115 E116 Q118 V213 | V115-K149 CarbonylContact C-O 3.58Å; V115-K149 WeakPolarHBondContact CA-O 3.47Å; E116-K149 HydrophobicContact CB-CB 4.38Å; E116-K149 PolarHBondContact N-O 3.28Å; E116-K149 PolarHBondContact O-N 3.18Å; E116-K149 IonicContact OE2-NZ 3.87Å; Q118-K149 HydrophobicContact CG-CB 4.2Å; K149-V213 HydrophobicContact CB-CG2 4.42Å |
| 150 | I | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.5 | -178.2 | -47.8 | -177.9 | 0 | 0 | 0 | 108.1 | I113 Q114 V115 V148 L153 I161 M210 V214 V246 | I113-I150 HydrophobicContact CG2-CG2 4.19Å; Q114-I150 WeakPolarHBondContact O-CA 3.2Å; V115-I150 HydrophobicContact CG1-CG1 4.48Å; V115-I150 HydrophobicContact CG2-CG1 4.22Å; V115-I150 HydrophobicContact CG2-CG2 4.08Å; V148-I150 HydrophobicContact CG2-CD1 4.42Å; V148-I150 HydrophobicContact CG2-CG1 4.2Å; I150-L153 HydrophobicContact CB-CD1 4.38Å; I150-L153 HydrophobicContact CG2-CD1 3.71Å; I150-L153 HydrophobicContact CG2-CD2 3.99Å; I150-L153 HydrophobicContact CG2-CG 3.75Å; I150-I161 HydrophobicContact CD1-CD1 3.57Å; I150-I161 HydrophobicContact CD1-CG1 4.09Å; I150-I161 HydrophobicContact CD1-CG2 4.4Å; I150-M210 WeakPolarHBondContact O-CG 3.17Å; I150-V214 HydrophobicContact CD1-CG2 4.04Å; I150-V214 HydrophobicContact CG1-CG2 4.4Å; I150-V246 HydrophobicContact CD1-CG2 4.48Å |
| 151 | T | 97.5 | Very high | 97.3 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.6 | 177.6 | 48 | 0 | 0 | 0 | 0 | 110.4 | I113 Q114 L153 | I113-T151 WeakPolarHBondContact CA-O 3.38Å; Q114-T151 PolarHBondContact N-O 2.91Å; Q114-T151 PolarHBondContact O-N 3.34Å; T151-L153 VanDerWaalsContact C-N 3.35Å |
| 152 | G | 96 | Very high | 97.3 | Very high | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 76.6 | 18.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I113 | I113-G152 WeakPolarHBondContact CG1-O 3.26Š|
| 153 | L | 96.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | trans | -80.5 | 149.5 | 167.8 | -58.9 | 176.1 | 0 | 0 | 0 | 109.9 | I113 I150 T151 P155 Y159 W209 M210 V246 | I113-L153 HydrophobicContact CD1-CD2 3.88Å; I113-L153 HydrophobicContact CG1-CD2 3.97Å; I113-L153 HydrophobicContact CG2-CD2 3.72Å; I150-L153 HydrophobicContact CB-CD1 4.38Å; I150-L153 HydrophobicContact CG2-CD1 3.71Å; I150-L153 HydrophobicContact CG2-CD2 3.99Å; I150-L153 HydrophobicContact CG2-CG 3.75Å; T151-L153 VanDerWaalsContact C-N 3.35Å; L153-P155 WeakPolarHBondContact O-CD 3.3Å; L153-Y159 HydrophobicContact CB-CE2 4Å; L153-Y159 HydrophobicContact CD2-CD1 4.06Å; L153-Y159 HydrophobicContact CD2-CD2 4.49Å; L153-Y159 HydrophobicContact CD2-CE1 3.75Å; L153-Y159 HydrophobicContact CD2-CE2 4.24Å; L153-Y159 HydrophobicContact CD2-CG 4.41Å; L153-W209 HydrophobicContact CD1-CB 3.5Å; L153-W209 VanDerWaalsContact CD1-CB 3.5Å; L153-W209 HydrophobicContact CD1-CG 4.26Å; L153-M210 HydrophobicContact CB-CE 4.15Å; L153-M210 HydrophobicContact CB-CG 4.11Å; L153-M210 HydrophobicContact CB-SD 3.94Å; L153-M210 HydrophobicContact CD1-CG 4.06Å; L153-M210 HydrophobicContact CG-CG 4.19Å; L153-M210 HydrophobicContact CG-SD 4.45Å; L153-M210 PolarHBondContact N-SD 2.87Å; L153-M210 VanDerWaalsContact N-SD 3.45Å; L153-M210 WeakPolarHBondContact O-CE 3.31Å; L153-V246 HydrophobicContact CD2-CG1 3.67Å | ||
| 154 | D | 95.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | trans | -66.1 | 122 | 169.2 | -172.8 | -58.2 | 0 | 0 | 0 | 110 | S108 H156 Q157 Y159 G206 | S108-D154 WeakPolarHBondContact CB-OD2 3.47Å; S108-D154 WeakPolarHBondContact OG-CB 3.27Å; S108-D154 PolarHBondContact OG-OD2 3.46Å; D154-H156 PolarHBondContact O-N 2.97Å; D154-H156 VanDerWaalsContact O-N 3.13Å; D154-H156 WeakPolarHBondContact OD1-CA 3.41Å; D154-H156 PolarHBondContact OD1-N 2.84Å; D154-Q157 HydrophobicContact CB-CB 3.74Å; D154-Q157 PolarHBondContact OD1-N 3.01Å; D154-Y159 HydrophobicContact CB-CE2 4.41Å; D154-Y159 WeakPolarHBondContact CB-OH 3.42Å; D154-Y159 PolarHBondContact N-OH 3.14Å; D154-G206 VanDerWaalsContact O-CA 3.24Å; D154-G206 WeakPolarHBondContact O-CA 3.42Å; D154-G206 PolarHBondContact O-N 3.17Å | ||
| 155 | P | 96.1 | Very high | 97.3 | Very high | 61 Ų | 61 | 38 Ų | 38 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -56.5 | -30.4 | -177.8 | -28.9 | 37.3 | 0 | 0 | 0 | 114.4 | L153 D207 M210 | L153-P155 WeakPolarHBondContact O-CD 3.3Å; P155-D207 HydrophobicContact CB-CB 4.15Å; P155-D207 PolarHBondContact O-N 3.45Å; P155-M210 HydrophobicContact CG-CE 4.42Å |
| 156 | H | 95.6 | Very high | 97.3 | Very high | 166 Ų | 166 | 38.8 Ų | 38.8 | 77% | 0.769 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -99 | -30.5 | -171.9 | -57.5 | -71.4 | 0 | 0 | 0 | 113 | D154 | D154-H156 PolarHBondContact O-N 2.97Å; D154-H156 VanDerWaalsContact O-N 3.13Å; D154-H156 WeakPolarHBondContact OD1-CA 3.41Å; D154-H156 PolarHBondContact OD1-N 2.84Å |
| 157 | Q | 95.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -68.3 | 151.4 | 177 | -163.1 | 61.6 | 2.4 | 0 | 0 | 112 | D154 Y159 S205 G206 R248 D250 | D154-Q157 HydrophobicContact CB-CB 3.74Å; D154-Q157 PolarHBondContact OD1-N 3.01Å; Q157-Y159 HydrophobicContact CB-CE2 3.87Å; Q157-Y159 HydrophobicContact CG-CE2 4.36Å; Q157-Y159 WeakPolarHBondContact O-CD2 3.46Å; Q157-Y159 WeakPolarHBondContact O-CE2 3.49Å; Q157-S205 CarbonylContact O-C 3.52Å; Q157-S205 WeakPolarHBondContact O-CA 3.37Å; Q157-G206 PolarHBondContact O-N 3.37Å; Q157-R248 HydrophobicContact CG-CG 4.01Å; Q157-D250 PolarHBondContact NE2-OD1 3.2Å |
| 158 | Q | 96.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 41 Ų | 41 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 138.5 | 178.2 | -56.6 | -168.4 | -63.9 | 0 | 0 | 112.1 | L203 A204 K249 | Q158-L203 HydrophobicContact CB-CD1 3.66Å; Q158-L203 HydrophobicContact CB-CD2 4.23Å; Q158-L203 HydrophobicContact CB-CG 3.95Å; Q158-A204 WeakPolarHBondContact CA-O 3.46Å; Q158-K249 HydrophobicContact CB-CB 4.15Å; Q158-K249 HydrophobicContact CB-CD 4.21Å; Q158-K249 WeakPolarHBondContact O-CB 3.34Å; Q158-K249 PolarHBondContact O-N 3.43Å |
| 159 | Y | 97.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.9 | -175.7 | -59.2 | -100.5 | 0 | 0 | 0 | 112.3 | M110 I113 L153 D154 Q157 L203 A204 W209 V246 I247 R248 | M110-Y159 HydrophobicContact CE-CD1 4.37Å; M110-Y159 HydrophobicContact CE-CE1 3.92Å; I113-Y159 HydrophobicContact CD1-CE1 4.25Å; L153-Y159 HydrophobicContact CB-CE2 4Å; L153-Y159 HydrophobicContact CD2-CD1 4.06Å; L153-Y159 HydrophobicContact CD2-CD2 4.49Å; L153-Y159 HydrophobicContact CD2-CE1 3.75Å; L153-Y159 HydrophobicContact CD2-CE2 4.24Å; L153-Y159 HydrophobicContact CD2-CG 4.41Å; D154-Y159 HydrophobicContact CB-CE2 4.41Å; D154-Y159 WeakPolarHBondContact CB-OH 3.42Å; D154-Y159 PolarHBondContact N-OH 3.14Å; Q157-Y159 HydrophobicContact CB-CE2 3.87Å; Q157-Y159 HydrophobicContact CG-CE2 4.36Å; Q157-Y159 WeakPolarHBondContact O-CD2 3.46Å; Q157-Y159 WeakPolarHBondContact O-CE2 3.49Å; Y159-L203 VanDerWaalsContact C-CD1 3.43Å; Y159-L203 WeakPolarHBondContact O-CD1 3.41Å; Y159-A204 PolarHBondContact N-O 2.84Å; Y159-A204 PolarHBondContact O-N 2.71Å; Y159-W209 PolarHBondContact O-NE1 3.37Å; Y159-V246 HydrophobicContact CD1-CG1 3.69Å; Y159-V246 HydrophobicContact CE1-CG1 4.13Å; Y159-I247 CarbonylContact C-O 3.57Å; Y159-I247 VanDerWaalsContact CA-O 3.27Å; Y159-I247 WeakPolarHBondContact CA-O 3.41Å; Y159-R248 HydrophobicContact CD1-CG 3.97Å; Y159-R248 HydrophobicContact CE1-CG 3.68Å |
| 160 | Y | 97.7 | Very high | 97 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138.5 | 159.3 | -64.9 | -97.1 | 0 | 0 | 0 | 109.1 | I198 L203 I247 S252 L255 | Y160-I198 HydrophobicContact CD1-CG2 4.24Å; Y160-L203 HydrophobicContact CD2-CD1 3.75Å; Y160-L203 HydrophobicContact CE1-CB 4.07Å; Y160-L203 HydrophobicContact CE2-CB 4.39Å; Y160-L203 HydrophobicContact CE2-CD1 3.64Å; Y160-L203 HydrophobicContact CE2-CD2 4.14Å; Y160-L203 HydrophobicContact CE2-CG 4.27Å; Y160-L203 HydrophobicContact CG-CD1 4.26Å; Y160-I247 PolarHBondContact N-O 3.26Å; Y160-I247 PolarHBondContact O-N 3.06Å; Y160-S252 WeakPolarHBondContact CE2-OG 3.29Å; Y160-L255 HydrophobicContact CD1-CD2 4.04Å; Y160-L255 HydrophobicContact CD2-CD2 4.35Å; Y160-L255 HydrophobicContact CG-CD2 3.84Å |
| 161 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.5 | 170.3 | -58.9 | -60.8 | 0 | 0 | 0 | 108 | I150 H199 S202 W209 V214 F216 H245 V246 | I150-I161 HydrophobicContact CD1-CD1 3.57Å; I150-I161 HydrophobicContact CD1-CG1 4.09Å; I150-I161 HydrophobicContact CD1-CG2 4.4Å; I161-H199 HydrophobicContact CB-CB 4.32Å; I161-H199 WeakPolarHBondContact O-CB 3.33Å; I161-H199 PolarHBondContact O-N 2.77Å; I161-S202 PolarHBondContact N-OG 3.01Å; I161-S202 VanDerWaalsContact N-OG 3.16Å; I161-S202 PolarHBondContact O-OG 2.71Å; I161-W209 HydrophobicContact CB-CE3 4.43Å; I161-W209 HydrophobicContact CB-CH2 3.86Å; I161-W209 HydrophobicContact CB-CZ2 3.98Å; I161-W209 HydrophobicContact CB-CZ3 4.1Å; I161-W209 HydrophobicContact CD1-CD2 4.47Å; I161-W209 HydrophobicContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CE2 3.44Å; I161-W209 HydrophobicContact CG1-CE3 3.73Å; I161-W209 HydrophobicContact CG1-CG 4.06Å; I161-W209 HydrophobicContact CG1-CH2 3.84Å; I161-W209 HydrophobicContact CG1-CZ2 3.62Å; I161-W209 HydrophobicContact CG1-CZ3 3.9Å; I161-V214 HydrophobicContact CG2-CG1 4.13Å; I161-F216 HydrophobicContact CG2-CZ 3.85Å; I161-H245 WeakPolarHBondContact CA-O 3.27Å; I161-V246 HydrophobicContact CD1-CB 4.24Å; I161-V246 HydrophobicContact CD1-CG1 4.14Å; I161-V246 HydrophobicContact CD1-CG2 3.85Å |
| 162 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 167.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V196 Y197 I198 H245 I247 | A162-V196 HydrophobicContact CB-CG1 3.8Å; A162-Y197 CarbonylContact C-O 3.56Å; A162-Y197 VanDerWaalsContact CA-O 3.32Å; A162-Y197 WeakPolarHBondContact CA-O 3.47Å; A162-I198 HydrophobicContact CB-CG1 4.48Å; A162-H245 HydrophobicContact CB-CB 4.46Å; A162-H245 PolarHBondContact N-O 2.79Å; A162-H245 PolarHBondContact O-N 3.07Å; A162-I247 HydrophobicContact CB-CD1 4.19Å |
| 163 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.1 | 175.4 | 175.8 | 172.2 | -60 | 0 | 0 | 111.3 | M142 M146 Y197 F216 L219 R243 V244 | M142-M163 HydrophobicContact CE-SD 4.03Å; M146-M163 HydrophobicContact CB-CE 3.97Å; M146-M163 HydrophobicContact CE-CE 3.36Å; M146-M163 HydrophobicContact CE-SD 4.05Å; M146-M163 HydrophobicContact CG-CE 4.26Å; M146-M163 HydrophobicContact SD-CE 3.35Å; M146-M163 WeakPolarHBondContact SD-CE 3.44Å; M163-Y197 PolarHBondContact N-O 3.06Å; M163-Y197 PolarHBondContact O-N 3.37Å; M163-F216 HydrophobicContact CB-CD1 3.97Å; M163-F216 HydrophobicContact CB-CE1 3.68Å; M163-F216 HydrophobicContact CB-CZ 4.23Å; M163-F216 HydrophobicContact CE-CB 4.01Å; M163-F216 HydrophobicContact CE-CD1 3.78Å; M163-F216 HydrophobicContact CE-CD2 3.43Å; M163-F216 VanDerWaalsContact CE-CD2 3.43Å; M163-F216 HydrophobicContact CE-CE1 4.03Å; M163-F216 HydrophobicContact CE-CE2 3.69Å; M163-F216 HydrophobicContact CE-CG 3.46Å; M163-F216 VanDerWaalsContact CE-CG 3.46Å; M163-F216 HydrophobicContact CE-CZ 3.97Å; M163-F216 HydrophobicContact SD-CB 4.46Å; M163-F216 HydrophobicContact SD-CD1 4.35Å; M163-F216 HydrophobicContact SD-CG 4.31Å; M163-L219 HydrophobicContact CB-CD1 4.25Å; M163-L219 HydrophobicContact CG-CD1 4.02Å; M163-L219 HydrophobicContact SD-CD1 3.41Å; M163-L219 WeakPolarHBondContact SD-CD1 3.38Å; M163-R243 VanDerWaalsContact CA-O 3.24Å; M163-R243 WeakPolarHBondContact CA-O 3.08Å; M163-R243 WeakPolarHBondContact CG-O 3.31Å; M163-V244 HydrophobicContact CE-CG2 3.78Å |
| 164 | D | 97.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 173.5 | 160.6 | 82.3 | 17.4 | 0 | 0 | 0 | 111.4 | V196 R243 H245 V261 | D164-V196 HydrophobicContact CB-CG2 4.33Å; D164-R243 PolarHBondContact N-O 2.92Å; D164-R243 PolarHBondContact O-N 2.8Å; D164-R243 IonicContact OD1-CZ 3.66Å; D164-R243 IonicContact OD1-NE 3.98Å; D164-R243 PolarHBondContact OD1-NE 2.86Å; D164-R243 IonicContact OD1-NH2 3.72Å; D164-R243 PolarHBondContact OD1-NH2 3Å; D164-R243 IonicContact OD2-CZ 3.33Å; D164-R243 IonicContact OD2-NE 3.91Å; D164-R243 IonicContact OD2-NH2 3.91Å; D164-R243 PolarHBondContact OD2-NH2 2.88Å; D164-H245 VanDerWaalsContact CG-NE2 3.32Å; D164-H245 IonicContact OD1-CE1 3.03Å; D164-H245 IonicContact OD1-NE2 3.05Å; D164-H245 PolarHBondContact OD1-NE2 3.48Å; D164-H245 IonicContact OD2-CE1 3.12Å; D164-H245 IonicContact OD2-NE2 3.91Å; D164-V261 HydrophobicContact CB-CG2 4.31Å |
| 165 | I | 98.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 109.2 | -179.7 | -60.1 | -177.4 | 0 | 0 | 0 | 107.3 | M142 L221 I232 L234 Y240 P242 F277 | M142-I165 HydrophobicContact SD-CD1 4.33Å; I165-L221 HydrophobicContact CD1-CD2 3.5Å; I165-L221 VanDerWaalsContact CD1-CD2 3.5Å; I165-I232 HydrophobicContact CB-CG2 4.32Å; I165-I232 HydrophobicContact CD1-CD1 3.87Å; I165-I232 HydrophobicContact CD1-CG2 4.32Å; I165-I232 HydrophobicContact CG1-CD1 3.95Å; I165-L234 HydrophobicContact CB-CD2 4.27Å; I165-L234 HydrophobicContact CG2-CD1 4.18Å; I165-L234 HydrophobicContact CG2-CD2 3.82Å; I165-Y240 HydrophobicContact CG2-CD1 4.02Å; I165-Y240 HydrophobicContact CG2-CG 4Å; I165-P242 HydrophobicContact CG1-CB 4.33Å; I165-F277 HydrophobicContact CD1-CZ 4.26Å; I165-F277 HydrophobicContact CG2-CZ 4.26Å |
| 166 | V | 97.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 148.6 | -176.5 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | Y240 Q241 R243 | V166-Y240 CarbonylContact O-C 3.59Å; V166-Y240 VanDerWaalsContact O-CA 3.29Å; V166-Y240 WeakPolarHBondContact O-CA 3.44Å; V166-Q241 HydrophobicContact CG2-CB 4.26Å; V166-Q241 WeakPolarHBondContact CG2-O 3.47Å; V166-Q241 PolarHBondContact N-O 2.85Å; V166-Q241 PolarHBondContact O-N 3.09Å; V166-R243 HydrophobicContact CG2-CG 4.17Å |
| 167 | P | 97.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 51 Ų | 51 | 57% | 0.571 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 143 | 173.6 | 27.7 | -34.7 | 0 | 0 | 0 | 110.9 | K239 Y240 | P167-K239 WeakPolarHBondContact CA-O 3.31Å; P167-Y240 HydrophobicContact CB-CD1 4.3Å; P167-Y240 HydrophobicContact CB-CE1 4.13Å |
| 168 | V | 97.5 | Very high | 97.3 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 44% | 0.442 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -81.8 | -35.8 | 177 | 174 | 0 | 0 | 0 | 0 | 111.5 | K239 Q241 V276 | V168-K239 HydrophobicContact CB-CB 3.93Å; V168-K239 HydrophobicContact CG2-CB 4.2Å; V168-K239 PolarHBondContact N-O 2.92Å; V168-Q241 HydrophobicContact CG2-CB 3.95Å; V168-V276 HydrophobicContact CG2-CG1 4.07Å; V168-V276 HydrophobicContact CG2-CG2 4.38Å |
| 169 | D | 96.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 55.5 Ų | 55.5 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -149.8 | 166.9 | 179.3 | 58.3 | 29.7 | 0 | 0 | 0 | 111.5 | K171 Y173 | D169-K171 HydrophobicContact CB-CD 4.42Å; D169-K171 HydrophobicContact CB-CG 4.43Å; D169-K171 PolarHBondContact O-N 3.45Å; D169-K171 WeakPolarHBondContact OD1-CB 3.28Å; D169-K171 PolarHBondContact OD1-N 2.87Å; D169-Y173 WeakPolarHBondContact OD1-CE2 3.49Å; D169-Y173 PolarHBondContact OD2-OH 3.12Å |
| 170 | N | 96.8 | Very high | 97.1 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -88.2 | 45.7 | 176.3 | -168.2 | 12.3 | 0 | 0 | 0 | 111.3 | A188 | N170-A188 PolarHBondContact O-N 3.09Å; N170-A188 VanDerWaalsContact O-N 3.11Å; N170-A188 WeakPolarHBondContact OD1-CB 3.45Å |
| 171 | K | 97.6 | Very high | 96.9 | Very high | 98 Ų | 98 | 63 Ų | 63 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.9 | -174 | -60.8 | 172 | -177.6 | 169.1 | 0 | 112.4 | D169 Y173 V184 H238 | D169-K171 HydrophobicContact CB-CD 4.42Å; D169-K171 HydrophobicContact CB-CG 4.43Å; D169-K171 PolarHBondContact O-N 3.45Å; D169-K171 WeakPolarHBondContact OD1-CB 3.28Å; D169-K171 PolarHBondContact OD1-N 2.87Å; K171-Y173 HydrophobicContact CB-CE2 3.89Å; K171-Y173 WeakPolarHBondContact O-CD2 3.44Å; K171-V184 HydrophobicContact CB-CG1 4.28Å; K171-V184 HydrophobicContact CD-CG1 4.38Å; K171-V184 HydrophobicContact CD-CG2 3.99Å; K171-V184 HydrophobicContact CG-CG1 4.41Å; K171-H238 PolarHBondContact O-CD2 2.83Å |
| 172 | R | 98.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 65.5 Ų | 65.5 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.4 | 168.5 | -173.9 | 167.3 | 173 | 174.9 | -3.8 | 109.7 | A185 G186 N187 D189 | R172-A185 PolarHBondContact O-N 2.8Å; R172-G186 PolarHBondContact N-O 2.69Å; R172-G186 PolarHBondContact O-N 3.05Å; R172-N187 WeakPolarHBondContact CB-O 3.5Å; R172-N187 PolarHBondContact N-O 3.13Å; R172-D189 IonicContact CZ-OD1 3.4Å; R172-D189 IonicContact CZ-OD2 3.67Å; R172-D189 IonicContact NE-OD1 3.71Å; R172-D189 IonicContact NE-OD2 3.99Å; R172-D189 VanDerWaalsContact NH1-CG 3.29Å; R172-D189 IonicContact NH1-OD1 2.65Å; R172-D189 PolarHBondContact NH1-OD1 3.19Å; R172-D189 IonicContact NH1-OD2 3.52Å; R172-D189 PolarHBondContact NH1-OD2 2.69Å; R172-D189 VanDerWaalsContact NH1-OD2 3.08Å |
| 173 | Y | 98.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 161.5 | -172.9 | -74.3 | -92.9 | 0 | 0 | 0 | 113.1 | D169 K171 M183 V184 M237 K239 | D169-Y173 WeakPolarHBondContact OD1-CE2 3.49Å; D169-Y173 PolarHBondContact OD2-OH 3.12Å; K171-Y173 HydrophobicContact CB-CE2 3.89Å; K171-Y173 WeakPolarHBondContact O-CD2 3.44Å; Y173-M183 CarbonylContact C-O 3.55Å; Y173-M183 WeakPolarHBondContact CA-O 3.3Å; Y173-M183 WeakPolarHBondContact CD1-O 3.02Å; Y173-V184 HydrophobicContact CD1-CG2 4.5Å; Y173-V184 HydrophobicContact CE1-CG2 3.95Å; Y173-M237 WeakPolarHBondContact CB-O 3.34Å; Y173-M237 PolarHBondContact N-O 3.05Å; Y173-M237 WeakPolarHBondContact O-CB 3.46Å; Y173-K239 HydrophobicContact CD2-CD 4.42Å; Y173-K239 HydrophobicContact CD2-CG 4.14Å; Y173-K239 HydrophobicContact CE1-CD 4.39Å; Y173-K239 HydrophobicContact CE2-CB 4.43Å; Y173-K239 HydrophobicContact CE2-CD 3.67Å; Y173-K239 HydrophobicContact CE2-CG 3.79Å; Y173-K239 VanDerWaalsContact CZ-NZ 3.29Å; Y173-K239 WeakPolarHBondContact OH-CE 3.32Å; Y173-K239 PolarHBondContact OH-NZ 2.66Å |
| 174 | R | 97.9 | Very high | 96.8 | Very high | 147 Ų | 147 | 73.7 Ų | 73.7 | 56% | 0.555 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 137.8 | 167.9 | -176 | 170.2 | 69.5 | 101 | -5.3 | 109.9 | M183 A185 | R174-M183 PolarHBondContact N-O 2.79Å; R174-M183 PolarHBondContact O-N 2.96Å; R174-A185 HydrophobicContact CB-CB 3.92Å |
| 175 | Y | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 76.2 Ų | 76.2 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.8 | 171.8 | -166.7 | -105.8 | 0 | 0 | 0 | 110.7 | Y177 S180 W182 Q284 N285 | Y175-Y177 AromaticContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD2 4.18Å; Y175-Y177 AromaticContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE2 4.08Å; Y175-Y177 HydrophobicContact CD1-CG 4.12Å; Y175-Y177 AromaticContact CD1-CZ 3.96Å; Y175-Y177 HydrophobicContact CE1-CD1 4.03Å; Y175-Y177 HydrophobicContact CE1-CE1 4.2Å; Y175-Y177 HydrophobicContact CE1-CG 4.39Å; Y175-S180 VanDerWaalsContact OH-C 3.32Å; Y175-S180 VanDerWaalsContact OH-CA 3.29Å; Y175-S180 WeakPolarHBondContact OH-CA 3.18Å; Y175-S180 WeakPolarHBondContact OH-CB 3.44Å; Y175-S180 PolarHBondContact OH-O 3.4Å; Y175-W182 AromaticContact CD2-CD1 3.9Å; Y175-W182 AromaticContact CD2-CD2 3.84Å; Y175-W182 HydrophobicContact CD2-CD2 3.84Å; Y175-W182 AromaticContact CD2-CE2 3.75Å; Y175-W182 HydrophobicContact CD2-CE3 4.45Å; Y175-W182 AromaticContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CZ2 4.31Å; Y175-W182 AromaticContact CD2-NE1 3.76Å; Y175-Q284 HydrophobicContact CD1-CB 3.75Å; Y175-Q284 HydrophobicContact CD2-CB 4.26Å; Y175-Q284 HydrophobicContact CE1-CB 4.46Å; Y175-Q284 HydrophobicContact CG-CB 3.61Å; Y175-Q284 HydrophobicContact CG-CG 4.48Å; Y175-N285 HydrophobicContact CE2-CB 4.01Å |
| 176 | V | 97.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 100.2 | -178 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | H178 S179 S180 K181 M183 | V176-H178 WeakPolarHBondContact CG1-NE2 3.43Å; V176-H178 PolarHBondContact O-N 3.19Å; V176-S179 VanDerWaalsContact CG1-OG 3.3Å; V176-S179 WeakPolarHBondContact CG1-OG 3.46Å; V176-S179 PolarHBondContact O-N 3.39Å; V176-S179 PolarHBondContact O-OG 3.09Å; V176-S180 WeakPolarHBondContact O-CA 3.34Å; V176-S180 PolarHBondContact O-N 2.86Å; V176-K181 PolarHBondContact N-O 2.84Å; V176-K181 PolarHBondContact O-N 3.31Å; V176-M183 HydrophobicContact CG2-CB 4.31Å; V176-M183 HydrophobicContact CG2-CE 3.89Å; V176-M183 HydrophobicContact CG2-CG 3.76Å; V176-M183 HydrophobicContact CG2-SD 3.9Å |
| 177 | Y | 95.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 81.2 Ų | 81.2 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -59.6 | -44.3 | -169.6 | -71.1 | -90.2 | 0 | 0 | 0 | 113.7 | V20 Y175 S179 S180 Q284 | V20-Y177 WeakPolarHBondContact CG2-OH 3.35Å; Y175-Y177 AromaticContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD2 4.18Å; Y175-Y177 AromaticContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE2 4.08Å; Y175-Y177 HydrophobicContact CD1-CG 4.12Å; Y175-Y177 AromaticContact CD1-CZ 3.96Å; Y175-Y177 HydrophobicContact CE1-CD1 4.03Å; Y175-Y177 HydrophobicContact CE1-CE1 4.2Å; Y175-Y177 HydrophobicContact CE1-CG 4.39Å; Y177-S179 PolarHBondContact O-N 2.8Å; Y177-S180 PolarHBondContact O-N 3.5Å; Y177-S180 VanDerWaalsContact O-N 3.13Å; Y177-S180 PolarHBondContact O-OG 3.14Å; Y177-Q284 PolarHBondContact OH-OE1 2.97Å |
| 178 | H | 94.3 | Very high | 96.6 | Very high | 176 Ų | 176 | 78.2 Ų | 78.2 | 82% | 0.815 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.5 | -177.1 | 64 | 78.9 | 0 | 0 | 0 | 114.1 | V176 | V176-H178 WeakPolarHBondContact CG1-NE2 3.43Å; V176-H178 PolarHBondContact O-N 3.19Å |
| 179 | S | 93.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 77.4 Ų | 77.4 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -107.6 | -2.1 | 173.5 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | V176 Y177 K181 | V176-S179 VanDerWaalsContact CG1-OG 3.3Å; V176-S179 WeakPolarHBondContact CG1-OG 3.46Å; V176-S179 PolarHBondContact O-N 3.39Å; V176-S179 PolarHBondContact O-OG 3.09Å; Y177-S179 PolarHBondContact O-N 2.8Å; S179-K181 WeakPolarHBondContact O-CG 3.39Å; S179-K181 PolarHBondContact O-N 2.9Å |
| 180 | S | 94.4 | Very high | 96.2 | Very high | 79 Ų | 79 | 80.2 Ų | 80.2 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 35.2 | -173.4 | -58.8 | 0 | 0 | 0 | 0 | 114.7 | Y175 V176 Y177 | Y175-S180 VanDerWaalsContact OH-C 3.32Å; Y175-S180 VanDerWaalsContact OH-CA 3.29Å; Y175-S180 WeakPolarHBondContact OH-CA 3.18Å; Y175-S180 WeakPolarHBondContact OH-CB 3.44Å; Y175-S180 PolarHBondContact OH-O 3.4Å; V176-S180 WeakPolarHBondContact O-CA 3.34Å; V176-S180 PolarHBondContact O-N 2.86Å; Y177-S180 PolarHBondContact O-N 3.5Å; Y177-S180 VanDerWaalsContact O-N 3.13Å; Y177-S180 PolarHBondContact O-OG 3.14Å |
| 181 | K | 94.9 | Very high | 95.9 | Very high | 140 Ų | 140 | 80.7 Ų | 80.7 | 61% | 0.609 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.5 | -172.7 | -78 | 171.3 | -176.4 | -175.5 | 0 | 113.3 | V176 S179 | V176-K181 PolarHBondContact N-O 2.84Å; V176-K181 PolarHBondContact O-N 3.31Å; S179-K181 WeakPolarHBondContact O-CG 3.39Å; S179-K181 PolarHBondContact O-N 2.9Å |
| 182 | W | 97.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 77.6 Ų | 77.6 | 20% | 0.197 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.5 | 164.7 | -74.2 | 102.4 | 0 | 0 | 0 | 110.2 | E132 Y175 M237 T278 V280 Q284 | E132-W182 HydrophobicContact CG-CZ2 4.03Å; Y175-W182 AromaticContact CD2-CD1 3.9Å; Y175-W182 AromaticContact CD2-CD2 3.84Å; Y175-W182 HydrophobicContact CD2-CD2 3.84Å; Y175-W182 AromaticContact CD2-CE2 3.75Å; Y175-W182 HydrophobicContact CD2-CE3 4.45Å; Y175-W182 AromaticContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CZ2 4.31Å; Y175-W182 AromaticContact CD2-NE1 3.76Å; W182-M237 HydrophobicContact CH2-CE 3.95Å; W182-M237 HydrophobicContact CH2-SD 4.19Å; W182-M237 HydrophobicContact CZ3-CE 3.65Å; W182-M237 HydrophobicContact CZ3-SD 4.3Å; W182-T278 HydrophobicContact CE3-CG2 4.4Å; W182-T278 HydrophobicContact CH2-CG2 3.65Å; W182-T278 HydrophobicContact CZ2-CG2 3.95Å; W182-T278 HydrophobicContact CZ3-CG2 3.9Å; W182-V280 HydrophobicContact CH2-CG1 3.81Å; W182-V280 HydrophobicContact CZ2-CG1 4.19Å; W182-Q284 HydrophobicContact CH2-CB 4.37Å; W182-Q284 HydrophobicContact CH2-CG 3.81Å; W182-Q284 HydrophobicContact CZ2-CB 4.19Å; W182-Q284 HydrophobicContact CZ2-CG 4.08Å |
| 183 | M | 97.2 | Very high | 95.2 | Very high | 92 Ų | 92 | 76.2 Ų | 76.2 | 45% | 0.453 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.2 | 172.3 | -52.8 | -161.2 | -26.8 | 0 | 0 | 110.4 | Y173 R174 V176 | Y173-M183 CarbonylContact C-O 3.55Å; Y173-M183 WeakPolarHBondContact CA-O 3.3Å; Y173-M183 WeakPolarHBondContact CD1-O 3.02Å; R174-M183 PolarHBondContact N-O 2.79Å; R174-M183 PolarHBondContact O-N 2.96Å; V176-M183 HydrophobicContact CG2-CB 4.31Å; V176-M183 HydrophobicContact CG2-CE 3.89Å; V176-M183 HydrophobicContact CG2-CG 3.76Å; V176-M183 HydrophobicContact CG2-SD 3.9Å |
| 184 | V | 98 | Very high | 94.8 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.2 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | K171 Y173 | K171-V184 HydrophobicContact CB-CG1 4.28Å; K171-V184 HydrophobicContact CD-CG1 4.38Å; K171-V184 HydrophobicContact CD-CG2 3.99Å; K171-V184 HydrophobicContact CG-CG1 4.41Å; Y173-V184 HydrophobicContact CD1-CG2 4.5Å; Y173-V184 HydrophobicContact CE1-CG2 3.95Å |
| 185 | A | 97 | Very high | 94.7 | Very high | 65 Ų | 65 | 73.6 Ų | 73.6 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -21.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R172 R174 | R172-A185 PolarHBondContact O-N 2.8Å; R174-A185 HydrophobicContact CB-CB 3.92Å |
| 186 | G | 96.6 | Very high | 94.6 | Very high | 33 Ų | 33 | 73.5 Ų | 73.5 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.8 | -167.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R172 | R172-G186 PolarHBondContact N-O 2.69Å; R172-G186 PolarHBondContact O-N 3.05Å |
| 187 | N | 96.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 75.1 Ų | 75.1 | 69% | 0.69 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 160.9 | 167.3 | -60 | 65.3 | 0 | 0 | 0 | 111.1 | R172 | R172-N187 WeakPolarHBondContact CB-O 3.5Å; R172-N187 PolarHBondContact N-O 3.13Å |
| 188 | A | 95.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 72.6 Ų | 72.6 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 158.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N170 H238 | N170-A188 PolarHBondContact O-N 3.09Å; N170-A188 VanDerWaalsContact O-N 3.11Å; N170-A188 WeakPolarHBondContact OD1-CB 3.45Å; A188-H238 VanDerWaalsContact CA-NE2 3.25Å; A188-H238 WeakPolarHBondContact CA-NE2 3.32Å; A188-H238 WeakPolarHBondContact CB-NE2 3.44Å |
| 189 | D | 93.2 | Very high | 94.9 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 153.9 | 167.1 | -58.4 | -32 | 0 | 0 | 0 | 110.1 | R172 H238 | R172-D189 IonicContact CZ-OD1 3.4Å; R172-D189 IonicContact CZ-OD2 3.67Å; R172-D189 IonicContact NE-OD1 3.71Å; R172-D189 IonicContact NE-OD2 3.99Å; R172-D189 VanDerWaalsContact NH1-CG 3.29Å; R172-D189 IonicContact NH1-OD1 2.65Å; R172-D189 PolarHBondContact NH1-OD1 3.19Å; R172-D189 IonicContact NH1-OD2 3.52Å; R172-D189 PolarHBondContact NH1-OD2 2.69Å; R172-D189 VanDerWaalsContact NH1-OD2 3.08Å; D189-H238 PolarHBondContact N-NE2 3.12Å; D189-H238 VanDerWaalsContact N-NE2 3.13Å; D189-H238 IonicContact OD2-CE1 3.59Å; D189-H238 PolarHBondContact OD2-CE1 3.06Å; D189-H238 VanDerWaalsContact OD2-CE1 3.28Å |
| 190 | S | 92.8 | Very high | 95.1 | Very high | 99 Ų | 99 | 65.7 Ų | 65.7 | 69% | 0.692 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 140 | -173 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | V192 H235 | S190-V192 PolarHBondContact O-N 3.17Å; S190-H235 PolarHBondContact O-CD2 3.17Å; S190-H235 PolarHBondContact O-NE2 3.21Å |
| 191 | P | 90.2 | Very high | 95.2 | Very high | 129 Ų | 129 | 65.9 Ų | 65.9 | 84% | 0.838 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -61 | 130.2 | -173.4 | 24.8 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 192 | V | 90.4 | Very high | 95.3 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 152.4 | 177.1 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | S190 I233 H235 | S190-V192 PolarHBondContact O-N 3.17Å; V192-I233 HydrophobicContact CB-CG2 4.19Å; V192-I233 HydrophobicContact CG1-CG2 3.92Å; V192-H235 WeakPolarHBondContact CG1-NE2 3.42Å |
| 193 | P | 90.1 | Very high | 95.2 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 131.1 | 172.9 | -26.5 | 35.6 | 0 | 0 | 0 | 111.9 | ||
| 194 | P | 90.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 138.2 | -179.8 | -27.8 | 35.5 | 0 | 0 | 0 | 113 | T258 P260 | P194-T258 CarbonylContact O-C 3.58Å; P194-P260 HydrophobicContact CB-CG 4.09Å; P194-P260 HydrophobicContact CG-CG 3.98Å |
| 195 | R | 95.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | trans | -137.8 | 137.4 | 175 | -70.9 | -168.1 | 175.5 | -158.9 | -6.7 | 112.7 | D227 H231 I233 P257 | R195-D227 VanDerWaalsContact CZ-O 3.26Å; R195-D227 PolarHBondContact NH1-O 2.85Å; R195-D227 IonicContact NH1-OD2 3.08Å; R195-D227 PolarHBondContact NH1-OD2 3.35Å; R195-D227 PolarHBondContact NH2-O 3.32Å; R195-H231 WeakPolarHBondContact CD-O 3.45Å; R195-H231 PolarHBondContact NH1-O 2.88Å; R195-I233 VanDerWaalsContact CZ-CD1 3.4Å; R195-P257 WeakPolarHBondContact CA-O 3.24Å | ||
| 196 | V | 96.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | trans | -122.5 | 118.9 | -176.7 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | A162 D164 I198 L255 P257 K259 V261 | A162-V196 HydrophobicContact CB-CG1 3.8Å; D164-V196 HydrophobicContact CB-CG2 4.33Å; V196-I198 HydrophobicContact CG1-CG1 4.31Å; V196-I198 PolarHBondContact O-N 3.12Å; V196-L255 HydrophobicContact CG1-CD1 4.22Å; V196-P257 PolarHBondContact N-O 3.37Å; V196-P257 WeakPolarHBondContact O-CA 3.36Å; V196-K259 VanDerWaalsContact CG2-O 3.23Å; V196-K259 WeakPolarHBondContact CG2-O 3.19Å; V196-V261 HydrophobicContact CB-CG2 4.39Å; V196-V261 HydrophobicContact CG1-CG2 3.91Å; V196-V261 HydrophobicContact CG2-CG2 3.51Å | ||
| 197 | Y | 97.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 53 Ų | 53 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 104.6 | 170.6 | -178.3 | -90.9 | 0 | 0 | 0 | 109.4 | A162 M163 P200 F216 K218 L219 | A162-Y197 CarbonylContact C-O 3.56Å; A162-Y197 VanDerWaalsContact CA-O 3.32Å; A162-Y197 WeakPolarHBondContact CA-O 3.47Å; M163-Y197 PolarHBondContact N-O 3.06Å; M163-Y197 PolarHBondContact O-N 3.37Å; Y197-P200 WeakPolarHBondContact OH-CD 3.44Å; Y197-F216 AromaticContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CE1 4.16Å; Y197-F216 AromaticContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CE1 4.49Å; Y197-K218 WeakPolarHBondContact OH-CB 3.43Å; Y197-L219 HydrophobicContact CD1-CB 4.23Å; Y197-L219 HydrophobicContact CD1-CD1 3.86Å; Y197-L219 HydrophobicContact CD1-CG 4.24Å; Y197-L219 HydrophobicContact CD2-CB 4.14Å; Y197-L219 HydrophobicContact CD2-CD1 4.4Å; Y197-L219 HydrophobicContact CD2-CG 4Å; Y197-L219 HydrophobicContact CE1-CB 4.3Å; Y197-L219 HydrophobicContact CE2-CB 4.24Å; Y197-L219 HydrophobicContact CG-CB 4.15Å; Y197-L219 HydrophobicContact CG-CD1 3.71Å; Y197-L219 HydrophobicContact CG-CG 3.81Å |
| 198 | I | 97.5 | Very high | 95.4 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.2 | 171.3 | -55.5 | 175.9 | 0 | 0 | 0 | 108.1 | Y160 A162 V196 L255 P257 | Y160-I198 HydrophobicContact CD1-CG2 4.24Å; A162-I198 HydrophobicContact CB-CG1 4.48Å; V196-I198 HydrophobicContact CG1-CG1 4.31Å; V196-I198 PolarHBondContact O-N 3.12Å; I198-L255 HydrophobicContact CD1-CD1 4.24Å; I198-L255 HydrophobicContact CD1-CD2 4.11Å; I198-L255 HydrophobicContact CD1-CG 3.92Å; I198-L255 HydrophobicContact CG1-CD1 4.44Å; I198-P257 HydrophobicContact CD1-CG 4.18Å |
| 199 | H | 97.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | trans | -64.6 | 131.8 | 178.4 | -169.7 | -92.2 | 0 | 0 | 0 | 109.6 | I161 D201 S202 W209 S215 F216 | I161-H199 HydrophobicContact CB-CB 4.32Å; I161-H199 WeakPolarHBondContact O-CB 3.33Å; I161-H199 PolarHBondContact O-N 2.77Å; H199-D201 VanDerWaalsContact CE1-CG 3.49Å; H199-D201 IonicContact CE1-OD1 2.69Å; H199-D201 IonicContact CE1-OD2 3.41Å; H199-D201 PolarHBondContact CE1-OD2 3.2Å; H199-D201 PolarHBondContact ND1-N 2.95Å; H199-D201 IonicContact ND1-OD2 3.49Å; H199-D201 PolarHBondContact O-N 3.34Å; H199-S202 VanDerWaalsContact O-CB 3.23Å; H199-S202 WeakPolarHBondContact O-CB 3.37Å; H199-S202 PolarHBondContact O-N 3.07Å; H199-S202 PolarHBondContact O-OG 3.03Å; H199-W209 HydrophobicContact CB-CH2 4.14Å; H199-W209 AromaticContact ND1-CH2 3.51Å; H199-W209 AromaticContact ND1-CZ3 3.51Å; H199-S215 PolarHBondContact NE2-O 3.04Å; H199-F216 HydrophobicContact CB-CE1 4.4Å | ||
| 200 | P | 97 | Very high | 95.7 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | -169.2 | 24.8 | -35.8 | 0 | 0 | 0 | 114.4 | Y197 K218 | Y197-P200 WeakPolarHBondContact OH-CD 3.44Å; P200-K218 HydrophobicContact CG-CD 4.14Å |
| 201 | D | 97 | Very high | 96 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.7 | 177.5 | -49.6 | -0.3 | 0 | 0 | 0 | 111.9 | H199 A204 W209 | H199-D201 VanDerWaalsContact CE1-CG 3.49Å; H199-D201 IonicContact CE1-OD1 2.69Å; H199-D201 IonicContact CE1-OD2 3.41Å; H199-D201 PolarHBondContact CE1-OD2 3.2Å; H199-D201 PolarHBondContact ND1-N 2.95Å; H199-D201 IonicContact ND1-OD2 3.49Å; H199-D201 PolarHBondContact O-N 3.34Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; D201-W209 HydrophobicContact CB-CH2 4.05Å; D201-W209 HydrophobicContact CB-CZ3 4.31Å |
| 202 | S | 96.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -78.2 | 137.1 | 168.9 | -47.8 | 0 | 0 | 0 | 0 | 109.8 | I161 H199 W209 | I161-S202 PolarHBondContact N-OG 3.01Å; I161-S202 VanDerWaalsContact N-OG 3.16Å; I161-S202 PolarHBondContact O-OG 2.71Å; H199-S202 VanDerWaalsContact O-CB 3.23Å; H199-S202 WeakPolarHBondContact O-CB 3.37Å; H199-S202 PolarHBondContact O-N 3.07Å; H199-S202 PolarHBondContact O-OG 3.03Å; S202-W209 WeakPolarHBondContact OG-CZ2 3.23Å | ||
| 203 | L | 96.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | S | Bend | cis | -93.5 | 129.3 | 8.4 | 176.5 | 59.8 | 0 | 0 | 0 | 112.5 | Q158 Y159 Y160 K249 | Q158-L203 HydrophobicContact CB-CD1 3.66Å; Q158-L203 HydrophobicContact CB-CD2 4.23Å; Q158-L203 HydrophobicContact CB-CG 3.95Å; Y159-L203 VanDerWaalsContact C-CD1 3.43Å; Y159-L203 WeakPolarHBondContact O-CD1 3.41Å; Y160-L203 HydrophobicContact CD2-CD1 3.75Å; Y160-L203 HydrophobicContact CE1-CB 4.07Å; Y160-L203 HydrophobicContact CE2-CB 4.39Å; Y160-L203 HydrophobicContact CE2-CD1 3.64Å; Y160-L203 HydrophobicContact CE2-CD2 4.14Å; Y160-L203 HydrophobicContact CE2-CG 4.27Å; Y160-L203 HydrophobicContact CG-CD1 4.26Å; L203-K249 HydrophobicContact CD1-CB 4.29Å; L203-K249 HydrophobicContact CD2-CB 4.39Å; L203-K249 HydrophobicContact CD2-CD 3.8Å; L203-K249 HydrophobicContact CD2-CG 3.79Å |
| 204 | A | 97.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 164.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q158 Y159 D201 T208 W209 | Q158-A204 WeakPolarHBondContact CA-O 3.46Å; Y159-A204 PolarHBondContact N-O 2.84Å; Y159-A204 PolarHBondContact O-N 2.71Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; A204-T208 HydrophobicContact CB-CG2 3.8Å; A204-W209 HydrophobicContact CB-CZ2 4.12Å; A204-W209 PolarHBondContact O-NE1 2.94Å |
| 205 | S | 97.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 22% | 0.217 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 157.2 | 178.4 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | Q157 D207 T208 W209 | Q157-S205 CarbonylContact O-C 3.52Å; Q157-S205 WeakPolarHBondContact O-CA 3.37Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 3.33Å; S205-T208 WeakPolarHBondContact O-CA 3.25Å; S205-T208 WeakPolarHBondContact O-CB 3.49Å; S205-T208 PolarHBondContact O-N 3.36Å; S205-T208 PolarHBondContact OG-N 3.23Å; S205-T208 PolarHBondContact OG-OG1 2.83Å; S205-W209 PolarHBondContact O-N 2.93Å; S205-W209 VanDerWaalsContact O-N 3.1Å |
| 206 | G | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | D154 Q157 T208 W209 M210 | D154-G206 VanDerWaalsContact O-CA 3.24Å; D154-G206 WeakPolarHBondContact O-CA 3.42Å; D154-G206 PolarHBondContact O-N 3.17Å; Q157-G206 PolarHBondContact O-N 3.37Å; G206-T208 VanDerWaalsContact C-N 3.29Å; G206-T208 PolarHBondContact O-N 3.39Å; G206-W209 PolarHBondContact O-N 3.11Å; G206-W209 VanDerWaalsContact O-N 3.15Å; G206-M210 WeakPolarHBondContact O-CG 3.38Å; G206-M210 PolarHBondContact O-N 3.32Å |
| 207 | D | 97.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 172.3 | -175.4 | 68.6 | 0 | 0 | 0 | 111.4 | P155 S205 W209 M210 R211 | P155-D207 HydrophobicContact CB-CB 4.15Å; P155-D207 PolarHBondContact O-N 3.45Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 3.33Å; D207-W209 VanDerWaalsContact C-N 3.29Å; D207-W209 PolarHBondContact O-N 3.46Å; D207-M210 PolarHBondContact O-N 2.91Å; D207-M210 VanDerWaalsContact O-N 3.16Å; D207-R211 VanDerWaalsContact O-CG 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.27Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 IonicContact OD2-CZ 3.57Å; D207-R211 IonicContact OD2-NH1 3.67Å; D207-R211 PolarHBondContact OD2-NH1 3.37Å |
| 208 | T | 97.9 | Very high | 97.5 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | A204 S205 G206 R211 | A204-T208 HydrophobicContact CB-CG2 3.8Å; S205-T208 WeakPolarHBondContact O-CA 3.25Å; S205-T208 WeakPolarHBondContact O-CB 3.49Å; S205-T208 PolarHBondContact O-N 3.36Å; S205-T208 PolarHBondContact OG-N 3.23Å; S205-T208 PolarHBondContact OG-OG1 2.83Å; G206-T208 VanDerWaalsContact C-N 3.29Å; G206-T208 PolarHBondContact O-N 3.39Å; T208-R211 PolarHBondContact OG1-NH1 3.02Å; T208-R211 PolarHBondContact OG1-NH2 3.1Å |
| 209 | W | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.4 | -30.6 | 175.5 | -68.3 | 120.9 | 0 | 0 | 0 | 113.7 | L153 Y159 I161 H199 D201 S202 A204 S205 G206 D207 V214 | L153-W209 HydrophobicContact CD1-CB 3.5Å; L153-W209 VanDerWaalsContact CD1-CB 3.5Å; L153-W209 HydrophobicContact CD1-CG 4.26Å; Y159-W209 PolarHBondContact O-NE1 3.37Å; I161-W209 HydrophobicContact CB-CE3 4.43Å; I161-W209 HydrophobicContact CB-CH2 3.86Å; I161-W209 HydrophobicContact CB-CZ2 3.98Å; I161-W209 HydrophobicContact CB-CZ3 4.1Å; I161-W209 HydrophobicContact CD1-CD2 4.47Å; I161-W209 HydrophobicContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CE2 3.44Å; I161-W209 HydrophobicContact CG1-CE3 3.73Å; I161-W209 HydrophobicContact CG1-CG 4.06Å; I161-W209 HydrophobicContact CG1-CH2 3.84Å; I161-W209 HydrophobicContact CG1-CZ2 3.62Å; I161-W209 HydrophobicContact CG1-CZ3 3.9Å; H199-W209 HydrophobicContact CB-CH2 4.14Å; H199-W209 AromaticContact ND1-CH2 3.51Å; H199-W209 AromaticContact ND1-CZ3 3.51Å; D201-W209 HydrophobicContact CB-CH2 4.05Å; D201-W209 HydrophobicContact CB-CZ3 4.31Å; S202-W209 WeakPolarHBondContact OG-CZ2 3.23Å; A204-W209 HydrophobicContact CB-CZ2 4.12Å; A204-W209 PolarHBondContact O-NE1 2.94Å; S205-W209 PolarHBondContact O-N 2.93Å; S205-W209 VanDerWaalsContact O-N 3.1Å; G206-W209 PolarHBondContact O-N 3.11Å; G206-W209 VanDerWaalsContact O-N 3.15Å; D207-W209 VanDerWaalsContact C-N 3.29Å; D207-W209 PolarHBondContact O-N 3.46Å; W209-V214 HydrophobicContact CE3-CG2 3.71Å; W209-V214 HydrophobicContact CZ3-CG1 4.06Å; W209-V214 HydrophobicContact CZ3-CG2 4.08Å |
| 210 | M | 97.9 | Very high | 97.6 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 26% | 0.261 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -80.4 | -24.7 | 178.6 | -66 | -169.3 | -67.9 | 0 | 0 | 113.4 | I150 L153 P155 G206 D207 Q212 | I150-M210 WeakPolarHBondContact O-CG 3.17Å; L153-M210 HydrophobicContact CB-CE 4.15Å; L153-M210 HydrophobicContact CB-CG 4.11Å; L153-M210 HydrophobicContact CB-SD 3.94Å; L153-M210 HydrophobicContact CD1-CG 4.06Å; L153-M210 HydrophobicContact CG-CG 4.19Å; L153-M210 HydrophobicContact CG-SD 4.45Å; L153-M210 PolarHBondContact N-SD 2.87Å; L153-M210 VanDerWaalsContact N-SD 3.45Å; L153-M210 WeakPolarHBondContact O-CE 3.31Å; P155-M210 HydrophobicContact CG-CE 4.42Å; G206-M210 WeakPolarHBondContact O-CG 3.38Å; G206-M210 PolarHBondContact O-N 3.32Å; D207-M210 PolarHBondContact O-N 2.91Å; D207-M210 VanDerWaalsContact O-N 3.16Å; M210-Q212 VanDerWaalsContact C-N 3.25Å; M210-Q212 PolarHBondContact O-N 3.36Å |
| 211 | R | 97.7 | Very high | 97.6 | Very high | 157 Ų | 157 | 47 Ų | 47 | 59% | 0.592 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -61.6 | -23.1 | -179.3 | -78.6 | -173.1 | -43.9 | -109.5 | 3.7 | 114.9 | D207 T208 | D207-R211 VanDerWaalsContact O-CG 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.27Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 IonicContact OD2-CZ 3.57Å; D207-R211 IonicContact OD2-NH1 3.67Å; D207-R211 PolarHBondContact OD2-NH1 3.37Å; T208-R211 PolarHBondContact OG1-NH1 3.02Å; T208-R211 PolarHBondContact OG1-NH2 3.1Å |
| 212 | Q | 96.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 43 Ų | 43 | 61% | 0.612 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -154.7 | 169.6 | -179 | 66.2 | 176.6 | -3.5 | 0 | 0 | 114.2 | M210 V214 | M210-Q212 VanDerWaalsContact C-N 3.25Å; M210-Q212 PolarHBondContact O-N 3.36Å; Q212-V214 PolarHBondContact O-N 2.87Å |
| 213 | V | 98.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | trans | -71.5 | 123.2 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Q118 R147 V148 K149 | Q118-V213 HydrophobicContact CB-CG1 4.27Å; Q118-V213 HydrophobicContact CG-CG1 3.79Å; Q118-V213 HydrophobicContact CG-CG2 3.9Å; R147-V213 HydrophobicContact CB-CG1 3.8Å; R147-V213 HydrophobicContact CG-CG1 4.39Å; V148-V213 CarbonylContact O-C 3.6Å; K149-V213 HydrophobicContact CB-CG2 4.42Å | ||
| 214 | V | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 137 | 174 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | R147 V148 I150 I161 W209 Q212 F216 | R147-V214 VanDerWaalsContact CA-O 3.26Å; R147-V214 WeakPolarHBondContact CA-O 3.49Å; V148-V214 HydrophobicContact CG2-CB 4.04Å; V148-V214 PolarHBondContact N-O 3.11Å; V148-V214 PolarHBondContact O-N 3.16Å; I150-V214 HydrophobicContact CD1-CG2 4.04Å; I150-V214 HydrophobicContact CG1-CG2 4.4Å; I161-V214 HydrophobicContact CG2-CG1 4.13Å; W209-V214 HydrophobicContact CE3-CG2 3.71Å; W209-V214 HydrophobicContact CZ3-CG1 4.06Å; W209-V214 HydrophobicContact CZ3-CG2 4.08Å; Q212-V214 PolarHBondContact O-N 2.87Å; V214-F216 HydrophobicContact CG1-CE2 4.27Å; V214-F216 HydrophobicContact CG1-CZ 4.46Å |
| 215 | S | 98.1 | Very high | 97.6 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 111.5 | -168.6 | -178 | 0 | 0 | 0 | 0 | 113.1 | R147 H199 D217 | R147-S215 PolarHBondContact NE-OG 2.96Å; R147-S215 VanDerWaalsContact NE-OG 3.14Å; H199-S215 PolarHBondContact NE2-O 3.04Å; S215-D217 PolarHBondContact O-N 3.32Å; S215-D217 VanDerWaalsContact O-N 3.17Å; S215-D217 PolarHBondContact OG-OD1 2.94Å |
| 216 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | trans | -85.9 | 30.5 | 177 | -61.2 | -89.2 | 0 | 0 | 0 | 112.5 | M146 V148 I161 M163 Y197 H199 V214 K218 L219 V244 | M146-F216 PolarHBondContact O-N 2.81Å; V148-F216 HydrophobicContact CG2-CE2 4.21Å; I161-F216 HydrophobicContact CG2-CZ 3.85Å; M163-F216 HydrophobicContact CB-CD1 3.97Å; M163-F216 HydrophobicContact CB-CE1 3.68Å; M163-F216 HydrophobicContact CB-CZ 4.23Å; M163-F216 HydrophobicContact CE-CB 4.01Å; M163-F216 HydrophobicContact CE-CD1 3.78Å; M163-F216 HydrophobicContact CE-CD2 3.43Å; M163-F216 VanDerWaalsContact CE-CD2 3.43Å; M163-F216 HydrophobicContact CE-CE1 4.03Å; M163-F216 HydrophobicContact CE-CE2 3.69Å; M163-F216 HydrophobicContact CE-CG 3.46Å; M163-F216 VanDerWaalsContact CE-CG 3.46Å; M163-F216 HydrophobicContact CE-CZ 3.97Å; M163-F216 HydrophobicContact SD-CB 4.46Å; M163-F216 HydrophobicContact SD-CD1 4.35Å; M163-F216 HydrophobicContact SD-CG 4.31Å; Y197-F216 AromaticContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CE1 4.16Å; Y197-F216 AromaticContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CE1 4.49Å; H199-F216 HydrophobicContact CB-CE1 4.4Å; V214-F216 HydrophobicContact CG1-CE2 4.27Å; V214-F216 HydrophobicContact CG1-CZ 4.46Å; F216-K218 VanDerWaalsContact C-N 3.26Å; F216-K218 PolarHBondContact O-N 2.9Å; F216-L219 HydrophobicContact CB-CB 4.42Å; F216-L219 HydrophobicContact CB-CD1 4.41Å; F216-L219 HydrophobicContact CD1-CD1 4.47Å; F216-L219 VanDerWaalsContact O-CB 3.25Å; F216-L219 WeakPolarHBondContact O-CB 3.32Å; F216-L219 PolarHBondContact O-N 3.47Å; F216-V244 HydrophobicContact CE2-CG1 4.5Å; F216-V244 HydrophobicContact CE2-CG2 4.13Å; F216-V244 HydrophobicContact CZ-CG1 4.36Å; F216-V244 HydrophobicContact CZ-CG2 4.43Å | ||
| 217 | D | 96.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.7 | -176.4 | 73.6 | -78.4 | 0 | 0 | 0 | 114 | R141 A145 S215 | R141-D217 WeakPolarHBondContact CD-O 3.48Å; R141-D217 WeakPolarHBondContact CG-O 3.48Å; R141-D217 VanDerWaalsContact CZ-O 3.3Å; R141-D217 PolarHBondContact NE-O 3.12Å; R141-D217 PolarHBondContact NH1-O 2.86Å; R141-D217 IonicContact NH1-OD2 3.28Å; R141-D217 PolarHBondContact NH1-OD2 2.96Å; A145-D217 HydrophobicContact CB-CB 3.75Å; S215-D217 PolarHBondContact O-N 3.32Å; S215-D217 VanDerWaalsContact O-N 3.17Å; S215-D217 PolarHBondContact OG-OD1 2.94Å |
| 218 | K | 96.9 | Very high | 97.1 | Very high | 107 Ų | 107 | 58.6 Ų | 58.6 | 47% | 0.465 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -20.1 | 172.7 | -66.3 | 169.7 | -173.7 | 166.4 | 0 | 112.5 | Y197 P200 F216 | Y197-K218 WeakPolarHBondContact OH-CB 3.43Å; P200-K218 HydrophobicContact CG-CD 4.14Å; F216-K218 VanDerWaalsContact C-N 3.26Å; F216-K218 PolarHBondContact O-N 2.9Å |
| 219 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -62.5 | 137 | -179.7 | -170.3 | 163 | 0 | 0 | 0 | 110.7 | R141 M142 M163 Y197 F216 L221 I232 | R141-L219 WeakPolarHBondContact CA-O 3.3Å; M142-L219 HydrophobicContact CE-CD1 4.31Å; M142-L219 HydrophobicContact CE-CD2 4.1Å; M142-L219 HydrophobicContact CG-CD2 4.38Å; M142-L219 HydrophobicContact SD-CD2 4.33Å; M163-L219 HydrophobicContact CB-CD1 4.25Å; M163-L219 HydrophobicContact CG-CD1 4.02Å; M163-L219 HydrophobicContact SD-CD1 3.41Å; M163-L219 WeakPolarHBondContact SD-CD1 3.38Å; Y197-L219 HydrophobicContact CD1-CB 4.23Å; Y197-L219 HydrophobicContact CD1-CD1 3.86Å; Y197-L219 HydrophobicContact CD1-CG 4.24Å; Y197-L219 HydrophobicContact CD2-CB 4.14Å; Y197-L219 HydrophobicContact CD2-CD1 4.4Å; Y197-L219 HydrophobicContact CD2-CG 4Å; Y197-L219 HydrophobicContact CE1-CB 4.3Å; Y197-L219 HydrophobicContact CE2-CB 4.24Å; Y197-L219 HydrophobicContact CG-CB 4.15Å; Y197-L219 HydrophobicContact CG-CD1 3.71Å; Y197-L219 HydrophobicContact CG-CG 3.81Å; F216-L219 HydrophobicContact CB-CB 4.42Å; F216-L219 HydrophobicContact CB-CD1 4.41Å; F216-L219 HydrophobicContact CD1-CD1 4.47Å; F216-L219 VanDerWaalsContact O-CB 3.25Å; F216-L219 WeakPolarHBondContact O-CB 3.32Å; F216-L219 PolarHBondContact O-N 3.47Å; L219-L221 HydrophobicContact CD2-CD2 3.65Å; L219-L221 HydrophobicContact CD2-CG 4.5Å; L219-I232 HydrophobicContact CD1-CD1 4.03Å; L219-I232 HydrophobicContact CD2-CD1 4.1Å; L219-I232 HydrophobicContact CD2-CG1 4.46Å; L219-I232 HydrophobicContact CG-CD1 4.26Å | ||
| 220 | K | 98.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 64 Ų | 64 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.8 | 177.7 | -75.2 | 168 | 159.6 | -163.6 | 0 | 112.1 | A138 G139 R140 R141 H231 I232 | A138-K220 PolarHBondContact O-NZ 3Å; G139-K220 WeakPolarHBondContact O-CE 3.49Å; R140-K220 CarbonylContact O-C 3.57Å; R140-K220 VanDerWaalsContact O-CA 3.31Å; R140-K220 WeakPolarHBondContact O-CA 3.47Å; R141-K220 HydrophobicContact CG-CG 4.13Å; K220-H231 HydrophobicContact CB-CB 4.38Å; K220-H231 WeakPolarHBondContact CD-CD2 3.36Å; K220-H231 WeakPolarHBondContact CD-NE2 3.46Å; K220-H231 PolarHBondContact NZ-CE1 2.91Å; K220-H231 PolarHBondContact NZ-NE2 2.99Å; K220-I232 PolarHBondContact O-N 3.12Å; K220-I232 VanDerWaalsContact O-N 3.07Å |
| 221 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.3 | 173.5 | -48.9 | -177.9 | 0 | 0 | 0 | 110.3 | M133 I135 G139 R140 M142 I165 L219 I232 L234 F277 | M133-L221 HydrophobicContact CB-CD1 4Å; M133-L221 HydrophobicContact CG-CD1 4.48Å; I135-L221 HydrophobicContact CG2-CB 3.76Å; I135-L221 HydrophobicContact CG2-CD1 4.39Å; G139-L221 CarbonylContact C-O 3.42Å; G139-L221 WeakPolarHBondContact CA-O 3.37Å; R140-L221 PolarHBondContact N-O 3.37Å; R140-L221 PolarHBondContact O-N 3.01Å; M142-L221 HydrophobicContact CG-CD1 3.84Å; M142-L221 HydrophobicContact CG-CD2 4.28Å; M142-L221 HydrophobicContact CG-CG 3.95Å; M142-L221 HydrophobicContact SD-CD1 4.24Å; M142-L221 HydrophobicContact SD-CD2 4.29Å; I165-L221 HydrophobicContact CD1-CD2 3.5Å; I165-L221 VanDerWaalsContact CD1-CD2 3.5Å; L219-L221 HydrophobicContact CD2-CD2 3.65Å; L219-L221 HydrophobicContact CD2-CG 4.5Å; L221-I232 CarbonylContact C-O 3.55Å; L221-I232 WeakPolarHBondContact CA-O 3.49Å; L221-I232 HydrophobicContact CD2-CB 4.23Å; L221-L234 HydrophobicContact CB-CD1 4.36Å; L221-L234 HydrophobicContact CD1-CD1 4.01Å; L221-L234 HydrophobicContact CD2-CD1 3.93Å; L221-L234 HydrophobicContact CG-CD1 4.32Å; L221-F277 HydrophobicContact CD1-CE2 4.03Å; L221-F277 HydrophobicContact CD1-CZ 3.71Å |
| 222 | T | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.1 | -179.5 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | T136 K137 N224 D227 H231 I232 I233 L234 | T136-T222 WeakPolarHBondContact O-CA 3.22Å; T136-T222 PolarHBondContact O-OG1 3.16Å; T136-T222 VanDerWaalsContact O-OG1 3.06Å; K137-T222 PolarHBondContact O-OG1 2.81Å; T222-N224 WeakPolarHBondContact OG1-CB 3.5Å; T222-N224 PolarHBondContact OG1-N 2.96Å; T222-D227 HydrophobicContact CG2-CB 3.85Å; T222-H231 HydrophobicContact CG2-CB 3.79Å; T222-I232 PolarHBondContact N-O 2.83Å; T222-I233 HydrophobicContact CG2-CB 4.29Å; T222-I233 HydrophobicContact CG2-CG1 3.8Å; T222-I233 WeakPolarHBondContact O-CA 3.36Å; T222-L234 PolarHBondContact O-N 3.24Å |
| 223 | N | 97.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | trans | -105.1 | 12 | 169.5 | 78.6 | -77.9 | 0 | 0 | 0 | 112.3 | I135 T136 K137 | I135-N223 HydrophobicContact CB-CB 4.47Å; I135-N223 HydrophobicContact CD1-CB 3.63Å; I135-N223 HydrophobicContact CG1-CB 3.94Å; T136-N223 WeakPolarHBondContact CA-OD1 3.03Å; K137-N223 PolarHBondContact N-OD1 3.35Å | ||
| 224 | N | 96.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | trans | -92.7 | 107.2 | 177.3 | -177.2 | 30.9 | 0 | 0 | 0 | 109.6 | K137 T222 L226 D227 I233 | K137-N224 HydrophobicContact CG-CB 4.15Å; T222-N224 WeakPolarHBondContact OG1-CB 3.5Å; T222-N224 PolarHBondContact OG1-N 2.96Å; N224-L226 VanDerWaalsContact ND2-C 3.29Å; N224-L226 PolarHBondContact ND2-O 3.24Å; N224-L226 VanDerWaalsContact ND2-O 3.1Å; N224-L226 PolarHBondContact O-N 3.18Å; N224-L226 PolarHBondContact OD1-N 3.21Å; N224-D227 HydrophobicContact CB-CB 4.22Å; N224-D227 WeakPolarHBondContact ND2-CA 3.09Å; N224-D227 PolarHBondContact ND2-N 2.91Å; N224-D227 VanDerWaalsContact O-CB 3.31Å; N224-D227 WeakPolarHBondContact O-CB 3.41Å; N224-D227 PolarHBondContact O-N 3.08Å; N224-I233 WeakPolarHBondContact O-CG1 3.24Å | ||
| 225 | E | 94.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 47.5 Ų | 47.5 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.7 | 176.2 | -66.9 | 174 | -166.3 | 0 | 0 | 112.6 | I233 H235 | E225-I233 HydrophobicContact CG-CG2 4.44Å; E225-I233 VanDerWaalsContact O-CD1 3.31Å; E225-I233 WeakPolarHBondContact O-CD1 3.45Å; E225-H235 IonicContact OE1-CE1 2.69Å; E225-H235 PolarHBondContact OE1-CE1 3.09Å |
| 226 | L | 93.4 | Very high | 96.6 | Very high | 153 Ų | 153 | 48 Ų | 48 | 80% | 0.801 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 41.3 | 179.1 | -53.1 | 179.3 | 0 | 0 | 0 | 111.5 | N224 | N224-L226 VanDerWaalsContact ND2-C 3.29Å; N224-L226 PolarHBondContact ND2-O 3.24Å; N224-L226 VanDerWaalsContact ND2-O 3.1Å; N224-L226 PolarHBondContact O-N 3.18Å; N224-L226 PolarHBondContact OD1-N 3.21Å |
| 227 | D | 94.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | trans | -79.1 | 115.2 | 178.5 | -178.5 | 96.5 | 0 | 0 | 0 | 111.6 | R195 T222 N224 Q229 G230 H231 I233 | R195-D227 VanDerWaalsContact CZ-O 3.26Å; R195-D227 PolarHBondContact NH1-O 2.85Å; R195-D227 IonicContact NH1-OD2 3.08Å; R195-D227 PolarHBondContact NH1-OD2 3.35Å; R195-D227 PolarHBondContact NH2-O 3.32Å; T222-D227 HydrophobicContact CG2-CB 3.85Å; N224-D227 HydrophobicContact CB-CB 4.22Å; N224-D227 WeakPolarHBondContact ND2-CA 3.09Å; N224-D227 PolarHBondContact ND2-N 2.91Å; N224-D227 VanDerWaalsContact O-CB 3.31Å; N224-D227 WeakPolarHBondContact O-CB 3.41Å; N224-D227 PolarHBondContact O-N 3.08Å; D227-Q229 PolarHBondContact OD2-N 3.23Å; D227-G230 PolarHBondContact OD2-N 2.87Å; D227-H231 IonicContact OD1-CE1 3.82Å; D227-H231 IonicContact OD1-CG 2.78Å; D227-H231 IonicContact OD1-ND1 3.47Å; D227-H231 PolarHBondContact OD1-ND1 3.21Å; D227-H231 WeakPolarHBondContact OD2-CB 3.47Å; D227-H231 IonicContact OD2-CG 3.34Å; D227-H231 PolarHBondContact OD2-N 3.25Å; D227-H231 IonicContact OD2-ND1 3.95Å; D227-I233 HydrophobicContact CB-CD1 4.49Å; D227-I233 HydrophobicContact CB-CG1 4.29Å | ||
| 228 | D | 93.6 | Very high | 96.6 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 72% | 0.717 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -85.4 | -15.5 | 178.8 | 64.1 | -24.2 | 0 | 0 | 0 | 113.5 | G230 | D228-G230 VanDerWaalsContact C-N 3.27Å; D228-G230 PolarHBondContact O-N 3.06Å |
| 229 | Q | 93.3 | Very high | 96.7 | Very high | 126 Ų | 126 | 45.1 Ų | 45.1 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -80.3 | 0.4 | -173.8 | -55.6 | -58.3 | -67.2 | 0 | 0 | 114.6 | D227 H231 | D227-Q229 PolarHBondContact OD2-N 3.23Å; Q229-H231 VanDerWaalsContact C-N 3.29Å; Q229-H231 WeakPolarHBondContact CB-CE1 3.35Å; Q229-H231 PolarHBondContact O-N 3.05Å |
| 230 | G | 92.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | trans | 69.9 | 20.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D227 D228 | D227-G230 PolarHBondContact OD2-N 2.87Å; D228-G230 VanDerWaalsContact C-N 3.27Å; D228-G230 PolarHBondContact O-N 3.06Å | ||
| 231 | H | 97 | Very high | 96.7 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 152.2 | 170.8 | -53.4 | 134.4 | 0 | 0 | 0 | 110.2 | A138 R195 K220 T222 D227 Q229 I233 | A138-H231 PolarHBondContact O-CE1 3.18Å; R195-H231 WeakPolarHBondContact CD-O 3.45Å; R195-H231 PolarHBondContact NH1-O 2.88Å; K220-H231 HydrophobicContact CB-CB 4.38Å; K220-H231 WeakPolarHBondContact CD-CD2 3.36Å; K220-H231 WeakPolarHBondContact CD-NE2 3.46Å; K220-H231 PolarHBondContact NZ-CE1 2.91Å; K220-H231 PolarHBondContact NZ-NE2 2.99Å; T222-H231 HydrophobicContact CG2-CB 3.79Å; D227-H231 IonicContact OD1-CE1 3.82Å; D227-H231 IonicContact OD1-CG 2.78Å; D227-H231 IonicContact OD1-ND1 3.47Å; D227-H231 PolarHBondContact OD1-ND1 3.21Å; D227-H231 WeakPolarHBondContact OD2-CB 3.47Å; D227-H231 IonicContact OD2-CG 3.34Å; D227-H231 PolarHBondContact OD2-N 3.25Å; D227-H231 IonicContact OD2-ND1 3.95Å; Q229-H231 VanDerWaalsContact C-N 3.29Å; Q229-H231 WeakPolarHBondContact CB-CE1 3.35Å; Q229-H231 PolarHBondContact O-N 3.05Å; H231-I233 PolarHBondContact O-N 3.22Å |
| 232 | I | 97.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 118.6 | 174.7 | -57.5 | -172.4 | 0 | 0 | 0 | 108.6 | I165 L219 K220 L221 T222 L234 | I165-I232 HydrophobicContact CB-CG2 4.32Å; I165-I232 HydrophobicContact CD1-CD1 3.87Å; I165-I232 HydrophobicContact CD1-CG2 4.32Å; I165-I232 HydrophobicContact CG1-CD1 3.95Å; L219-I232 HydrophobicContact CD1-CD1 4.03Å; L219-I232 HydrophobicContact CD2-CD1 4.1Å; L219-I232 HydrophobicContact CD2-CG1 4.46Å; L219-I232 HydrophobicContact CG-CD1 4.26Å; K220-I232 PolarHBondContact O-N 3.12Å; K220-I232 VanDerWaalsContact O-N 3.07Å; L221-I232 CarbonylContact C-O 3.55Å; L221-I232 WeakPolarHBondContact CA-O 3.49Å; L221-I232 HydrophobicContact CD2-CB 4.23Å; T222-I232 PolarHBondContact N-O 2.83Å; I232-L234 HydrophobicContact CG2-CD2 4.04Å; I232-L234 HydrophobicContact CG2-CG 4.21Å |
| 233 | I | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.6 | 176.7 | -55.5 | 167.4 | 0 | 0 | 0 | 108 | V192 R195 T222 N224 E225 D227 H231 | V192-I233 HydrophobicContact CB-CG2 4.19Å; V192-I233 HydrophobicContact CG1-CG2 3.92Å; R195-I233 VanDerWaalsContact CZ-CD1 3.4Å; T222-I233 HydrophobicContact CG2-CB 4.29Å; T222-I233 HydrophobicContact CG2-CG1 3.8Å; T222-I233 WeakPolarHBondContact O-CA 3.36Å; N224-I233 WeakPolarHBondContact O-CG1 3.24Å; E225-I233 HydrophobicContact CG-CG2 4.44Å; E225-I233 VanDerWaalsContact O-CD1 3.31Å; E225-I233 WeakPolarHBondContact O-CD1 3.45Å; D227-I233 HydrophobicContact CB-CD1 4.49Å; D227-I233 HydrophobicContact CB-CG1 4.29Å; H231-I233 PolarHBondContact O-N 3.22Å |
| 234 | L | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | trans | -141 | 148.5 | 172.8 | -57.1 | 173.2 | 0 | 0 | 0 | 109.8 | I135 I165 L221 T222 I232 Y240 F277 T279 | I135-L234 WeakPolarHBondContact CD1-O 3.46Å; I165-L234 HydrophobicContact CB-CD2 4.27Å; I165-L234 HydrophobicContact CG2-CD1 4.18Å; I165-L234 HydrophobicContact CG2-CD2 3.82Å; L221-L234 HydrophobicContact CB-CD1 4.36Å; L221-L234 HydrophobicContact CD1-CD1 4.01Å; L221-L234 HydrophobicContact CD2-CD1 3.93Å; L221-L234 HydrophobicContact CG-CD1 4.32Å; T222-L234 PolarHBondContact O-N 3.24Å; I232-L234 HydrophobicContact CG2-CD2 4.04Å; I232-L234 HydrophobicContact CG2-CG 4.21Å; L234-Y240 HydrophobicContact CB-CE2 3.93Å; L234-Y240 HydrophobicContact CD1-CD2 4.31Å; L234-Y240 HydrophobicContact CD1-CE2 4.47Å; L234-Y240 HydrophobicContact CD2-CD1 3.7Å; L234-Y240 HydrophobicContact CD2-CD2 4.3Å; L234-Y240 HydrophobicContact CD2-CE1 3.55Å; L234-Y240 HydrophobicContact CD2-CE2 4.13Å; L234-Y240 HydrophobicContact CD2-CG 4.08Å; L234-Y240 HydrophobicContact CG-CE2 4.41Å; L234-F277 HydrophobicContact CD1-CE2 4.05Å; L234-F277 HydrophobicContact CD1-CZ 4.14Å; L234-T279 HydrophobicContact CB-CG2 3.86Å; L234-T279 HydrophobicContact CD1-CG2 3.67Å; L234-T279 HydrophobicContact CG-CG2 4.43Å | ||
| 235 | H | 98.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 12% | 0.116 | 22% | 0.216 | C | C | . | . | trans | -74.6 | 153.1 | 170.3 | -73 | -39.7 | 0 | 0 | 0 | 110.9 | S190 V192 E225 H238 Y240 T279 | S190-H235 PolarHBondContact O-CD2 3.17Å; S190-H235 PolarHBondContact O-NE2 3.21Å; V192-H235 WeakPolarHBondContact CG1-NE2 3.42Å; E225-H235 IonicContact OE1-CE1 2.69Å; E225-H235 PolarHBondContact OE1-CE1 3.09Å; H235-H238 WeakPolarHBondContact CB-ND1 3.41Å; H235-Y240 PolarHBondContact N-OH 3.22Å; H235-T279 WeakPolarHBondContact O-CB 3.47Å; H235-T279 PolarHBondContact O-OG1 3.07Å | ||
| 236 | S | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 151.2 | 173.9 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | H238 | S236-H238 VanDerWaalsContact C-N 3.32Å; S236-H238 PolarHBondContact O-N 3.37Å; S236-H238 PolarHBondContact O-ND1 3.43Å |
| 237 | M | 98.1 | Very high | 97.1 | Very high | 32 Ų | 32 | 29 Ų | 29 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 31.1 | 177.3 | -44.7 | -65.2 | -81 | 0 | 0 | 114.7 | Y173 W182 T279 V280 Q284 | Y173-M237 WeakPolarHBondContact CB-O 3.34Å; Y173-M237 PolarHBondContact N-O 3.05Å; Y173-M237 WeakPolarHBondContact O-CB 3.46Å; W182-M237 HydrophobicContact CH2-CE 3.95Å; W182-M237 HydrophobicContact CH2-SD 4.19Å; W182-M237 HydrophobicContact CZ3-CE 3.65Å; W182-M237 HydrophobicContact CZ3-SD 4.3Å; M237-T279 VanDerWaalsContact CA-O 3.29Å; M237-T279 WeakPolarHBondContact CA-O 3.46Å; M237-T279 PolarHBondContact N-O 2.84Å; M237-T279 PolarHBondContact N-OG1 3.04Å; M237-V280 HydrophobicContact SD-CG1 4.07Å; M237-Q284 HydrophobicContact CE-CG 4.41Å |
| 238 | H | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | trans | -123.2 | 154.9 | 177.9 | -71.2 | 81.1 | 0 | 0 | 0 | 110.7 | K171 A188 D189 H235 S236 Y240 T278 T279 | K171-H238 PolarHBondContact O-CD2 2.83Å; A188-H238 VanDerWaalsContact CA-NE2 3.25Å; A188-H238 WeakPolarHBondContact CA-NE2 3.32Å; A188-H238 WeakPolarHBondContact CB-NE2 3.44Å; D189-H238 PolarHBondContact N-NE2 3.12Å; D189-H238 VanDerWaalsContact N-NE2 3.13Å; D189-H238 IonicContact OD2-CE1 3.59Å; D189-H238 PolarHBondContact OD2-CE1 3.06Å; D189-H238 VanDerWaalsContact OD2-CE1 3.28Å; H235-H238 WeakPolarHBondContact CB-ND1 3.41Å; S236-H238 VanDerWaalsContact C-N 3.32Å; S236-H238 PolarHBondContact O-N 3.37Å; S236-H238 PolarHBondContact O-ND1 3.43Å; H238-Y240 HydrophobicContact CB-CD2 4.37Å; H238-Y240 HydrophobicContact CB-CE2 3.57Å; H238-T278 CarbonylContact O-C 3.47Å; H238-T278 VanDerWaalsContact O-CA 3.32Å; H238-T278 WeakPolarHBondContact O-CA 3.33Å; H238-T279 PolarHBondContact N-OG1 3.18Å; H238-T279 PolarHBondContact O-N 2.85Å; H238-T279 PolarHBondContact O-OG1 3.15Å; H238-T279 VanDerWaalsContact O-OG1 3.08Å | ||
| 239 | K | 98.2 | Very high | 97 | Very high | 58 Ų | 58 | 28.7 Ų | 28.7 | 25% | 0.252 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.6 | 179.3 | -72.9 | 179.9 | -178.5 | 169.5 | 0 | 111.6 | P167 V168 Y173 F277 | P167-K239 WeakPolarHBondContact CA-O 3.31Å; V168-K239 HydrophobicContact CB-CB 3.93Å; V168-K239 HydrophobicContact CG2-CB 4.2Å; V168-K239 PolarHBondContact N-O 2.92Å; Y173-K239 HydrophobicContact CD2-CD 4.42Å; Y173-K239 HydrophobicContact CD2-CG 4.14Å; Y173-K239 HydrophobicContact CE1-CD 4.39Å; Y173-K239 HydrophobicContact CE2-CB 4.43Å; Y173-K239 HydrophobicContact CE2-CD 3.67Å; Y173-K239 HydrophobicContact CE2-CG 3.79Å; Y173-K239 VanDerWaalsContact CZ-NZ 3.29Å; Y173-K239 WeakPolarHBondContact OH-CE 3.32Å; Y173-K239 PolarHBondContact OH-NZ 2.66Å; K239-F277 WeakPolarHBondContact CA-O 3.39Å |
| 240 | Y | 98.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.7 | -177.2 | -66.7 | -83.6 | 0 | 0 | 0 | 112.9 | I165 V166 P167 L234 H235 H238 V276 F277 T279 | I165-Y240 HydrophobicContact CG2-CD1 4.02Å; I165-Y240 HydrophobicContact CG2-CG 4Å; V166-Y240 CarbonylContact O-C 3.59Å; V166-Y240 VanDerWaalsContact O-CA 3.29Å; V166-Y240 WeakPolarHBondContact O-CA 3.44Å; P167-Y240 HydrophobicContact CB-CD1 4.3Å; P167-Y240 HydrophobicContact CB-CE1 4.13Å; L234-Y240 HydrophobicContact CB-CE2 3.93Å; L234-Y240 HydrophobicContact CD1-CD2 4.31Å; L234-Y240 HydrophobicContact CD1-CE2 4.47Å; L234-Y240 HydrophobicContact CD2-CD1 3.7Å; L234-Y240 HydrophobicContact CD2-CD2 4.3Å; L234-Y240 HydrophobicContact CD2-CE1 3.55Å; L234-Y240 HydrophobicContact CD2-CE2 4.13Å; L234-Y240 HydrophobicContact CD2-CG 4.08Å; L234-Y240 HydrophobicContact CG-CE2 4.41Å; H235-Y240 PolarHBondContact N-OH 3.22Å; H238-Y240 HydrophobicContact CB-CD2 4.37Å; H238-Y240 HydrophobicContact CB-CE2 3.57Å; Y240-V276 WeakPolarHBondContact O-CA 3.49Å; Y240-F277 HydrophobicContact CD2-CE2 4.5Å; Y240-F277 PolarHBondContact N-O 3.27Å; Y240-F277 PolarHBondContact O-N 2.9Å; Y240-F277 VanDerWaalsContact O-N 3.09Å; Y240-T279 HydrophobicContact CD2-CG2 3.66Å; Y240-T279 HydrophobicContact CE2-CG2 3.67Å |
| 241 | Q | 98.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 12% | 0.121 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.7 | 172 | 174 | 65.4 | 72.5 | 0 | 0 | 108.5 | V166 V168 R243 N271 F272 T275 V276 | V166-Q241 HydrophobicContact CG2-CB 4.26Å; V166-Q241 WeakPolarHBondContact CG2-O 3.47Å; V166-Q241 PolarHBondContact N-O 2.85Å; V166-Q241 PolarHBondContact O-N 3.09Å; V168-Q241 HydrophobicContact CG2-CB 3.95Å; Q241-R243 HydrophobicContact CG-CG 4.44Å; Q241-N271 HydrophobicContact CG-CB 4.24Å; Q241-F272 PolarHBondContact NE2-O 2.95Å; Q241-F272 VanDerWaalsContact NE2-O 3.09Å; Q241-T275 PolarHBondContact NE2-OG1 3.4Å; Q241-V276 HydrophobicContact CB-CG2 4.39Å |
| 242 | P | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 144 | 166.3 | -24.9 | 37.9 | 0 | 0 | 0 | 111.9 | M146 I165 T275 F277 | M146-P242 HydrophobicContact CE-CB 3.31Å; M146-P242 HydrophobicContact CE-CG 4.27Å; I165-P242 HydrophobicContact CG1-CB 4.33Å; P242-T275 WeakPolarHBondContact CD-O 3.46Å; P242-F277 HydrophobicContact CG-CD1 4.05Å; P242-F277 HydrophobicContact CG-CE1 3.56Å |
| 243 | R | 98.2 | Very high | 95.2 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 28% | 0.275 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.9 | 176.5 | -51.9 | -170.3 | -62 | 176.8 | 3.8 | 110.4 | M163 D164 V166 Q241 T269 F270 N271 | M163-R243 VanDerWaalsContact CA-O 3.24Å; M163-R243 WeakPolarHBondContact CA-O 3.08Å; M163-R243 WeakPolarHBondContact CG-O 3.31Å; D164-R243 PolarHBondContact N-O 2.92Å; D164-R243 PolarHBondContact O-N 2.8Å; D164-R243 IonicContact OD1-CZ 3.66Å; D164-R243 IonicContact OD1-NE 3.98Å; D164-R243 PolarHBondContact OD1-NE 2.86Å; D164-R243 IonicContact OD1-NH2 3.72Å; D164-R243 PolarHBondContact OD1-NH2 3Å; D164-R243 IonicContact OD2-CZ 3.33Å; D164-R243 IonicContact OD2-NE 3.91Å; D164-R243 IonicContact OD2-NH2 3.91Å; D164-R243 PolarHBondContact OD2-NH2 2.88Å; V166-R243 HydrophobicContact CG2-CG 4.17Å; Q241-R243 HydrophobicContact CG-CG 4.44Å; R243-T269 HydrophobicContact CB-CG2 4.05Å; R243-F270 CarbonylContact C-O 3.57Å; R243-F270 WeakPolarHBondContact CA-O 3.37Å; R243-N271 HydrophobicContact CG-CB 4.42Å |
| 244 | V | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.2 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | M146 V148 M163 F216 T269 F270 | M146-V244 HydrophobicContact CE-CG2 4.28Å; M146-V244 HydrophobicContact SD-CG2 3.43Å; M146-V244 WeakPolarHBondContact SD-CG2 3.4Å; V148-V244 HydrophobicContact CG1-CG2 4.24Å; V148-V244 HydrophobicContact CG2-CG1 4.44Å; M163-V244 HydrophobicContact CE-CG2 3.78Å; F216-V244 HydrophobicContact CE2-CG1 4.5Å; F216-V244 HydrophobicContact CE2-CG2 4.13Å; F216-V244 HydrophobicContact CZ-CG1 4.36Å; F216-V244 HydrophobicContact CZ-CG2 4.43Å; V244-T269 WeakPolarHBondContact O-CA 3.09Å; V244-F270 PolarHBondContact N-O 2.8Å; V244-F270 PolarHBondContact O-N 2.83Å |
| 245 | H | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.6 | -177.2 | -48.9 | -92 | 0 | 0 | 0 | 110.1 | I161 A162 D164 I247 V261 K268 T269 | I161-H245 WeakPolarHBondContact CA-O 3.27Å; A162-H245 HydrophobicContact CB-CB 4.46Å; A162-H245 PolarHBondContact N-O 2.79Å; A162-H245 PolarHBondContact O-N 3.07Å; D164-H245 VanDerWaalsContact CG-NE2 3.32Å; D164-H245 IonicContact OD1-CE1 3.03Å; D164-H245 IonicContact OD1-NE2 3.05Å; D164-H245 PolarHBondContact OD1-NE2 3.48Å; D164-H245 IonicContact OD2-CE1 3.12Å; D164-H245 IonicContact OD2-NE2 3.91Å; H245-I247 HydrophobicContact CB-CD1 4.1Å; H245-I247 HydrophobicContact CB-CG1 4.15Å; H245-V261 HydrophobicContact CB-CG1 4.1Å; H245-K268 WeakPolarHBondContact CA-O 3.23Å; H245-T269 VanDerWaalsContact CE1-CG2 3.46Å; H245-T269 WeakPolarHBondContact CE1-CG2 3.31Å; H245-T269 WeakPolarHBondContact ND1-CG2 3.34Å; H245-T269 PolarHBondContact ND1-OG1 3.42Å |
| 246 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112.1 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | I113 V115 I150 L153 Y159 I161 V267 K268 F270 | I113-V246 HydrophobicContact CD1-CG1 4.23Å; I113-V246 HydrophobicContact CG2-CG1 4.42Å; I113-V246 HydrophobicContact CG2-CG2 4.39Å; V115-V246 HydrophobicContact CG2-CG2 4.12Å; I150-V246 HydrophobicContact CD1-CG2 4.48Å; L153-V246 HydrophobicContact CD2-CG1 3.67Å; Y159-V246 HydrophobicContact CD1-CG1 3.69Å; Y159-V246 HydrophobicContact CE1-CG1 4.13Å; I161-V246 HydrophobicContact CD1-CB 4.24Å; I161-V246 HydrophobicContact CD1-CG1 4.14Å; I161-V246 HydrophobicContact CD1-CG2 3.85Å; V246-V267 WeakPolarHBondContact O-CA 3.39Å; V246-K268 HydrophobicContact CB-CB 4.47Å; V246-K268 PolarHBondContact N-O 3.09Å; V246-K268 PolarHBondContact O-N 3.43Å; V246-F270 HydrophobicContact CB-CE2 4.35Å; V246-F270 HydrophobicContact CG2-CD2 4.27Å; V246-F270 HydrophobicContact CG2-CE2 3.74Å |
| 247 | I | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.6 | -170.8 | -61.2 | 161.7 | 0 | 0 | 0 | 108.4 | Y159 Y160 A162 H245 L255 V261 V267 | Y159-I247 CarbonylContact C-O 3.57Å; Y159-I247 VanDerWaalsContact CA-O 3.27Å; Y159-I247 WeakPolarHBondContact CA-O 3.41Å; Y160-I247 PolarHBondContact N-O 3.26Å; Y160-I247 PolarHBondContact O-N 3.06Å; A162-I247 HydrophobicContact CB-CD1 4.19Å; H245-I247 HydrophobicContact CB-CD1 4.1Å; H245-I247 HydrophobicContact CB-CG1 4.15Å; I247-L255 HydrophobicContact CD1-CD1 3.87Å; I247-L255 HydrophobicContact CD1-CD2 3.85Å; I247-L255 HydrophobicContact CD1-CG 4.43Å; I247-L255 HydrophobicContact CG2-CD2 4.44Å; I247-V261 HydrophobicContact CD1-CG1 3.77Å; I247-V261 HydrophobicContact CG1-CG1 4.39Å; I247-V267 HydrophobicContact CB-CG2 4.45Å; I247-V267 HydrophobicContact CG1-CB 4.48Å; I247-V267 HydrophobicContact CG1-CG1 3.86Å; I247-V267 HydrophobicContact CG1-CG2 4.06Å; I247-V267 HydrophobicContact CG2-CG2 4.15Å |
| 248 | R | 94.6 | Very high | 93 | Very high | 32 Ų | 32 | 43 Ų | 43 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.5 | 172.8 | -107.9 | 170 | 73.1 | 156 | -3.9 | 110.9 | M110 Q157 Y159 D250 F251 S252 G266 | M110-R248 HydrophobicContact CE-CB 3.84Å; M110-R248 HydrophobicContact CE-CG 3.56Å; Q157-R248 HydrophobicContact CG-CG 4.01Å; Y159-R248 HydrophobicContact CD1-CG 3.97Å; Y159-R248 HydrophobicContact CE1-CG 3.68Å; R248-D250 WeakPolarHBondContact CB-OD1 3.46Å; R248-D250 IonicContact CZ-OD1 2.77Å; R248-D250 IonicContact CZ-OD2 2.72Å; R248-D250 VanDerWaalsContact CZ-OD2 3.29Å; R248-D250 IonicContact NE-OD1 3.95Å; R248-D250 PolarHBondContact NE-OD1 3.19Å; R248-D250 VanDerWaalsContact NE-OD1 3.12Å; R248-D250 IonicContact NE-OD2 3.29Å; R248-D250 PolarHBondContact NE-OD2 2.74Å; R248-D250 IonicContact NH2-OD1 3.88Å; R248-D250 IonicContact NH2-OD2 2.83Å; R248-D250 PolarHBondContact NH2-OD2 2.73Å; R248-D250 PolarHBondContact O-N 3.46Å; R248-F251 HydrophobicContact CB-CD2 3.99Å; R248-F251 CarbonylContact O-C 3.59Å; R248-F251 PolarHBondContact O-N 3.19Å; R248-S252 PolarHBondContact O-N 2.98Å; R248-G266 PolarHBondContact N-O 3.29Å |
| 249 | K | 93.2 | Very high | 92.7 | Very high | 100 Ų | 100 | 47.3 Ų | 47.3 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -52.3 | -41.6 | 178.2 | -176.7 | -167.5 | -169 | 172.1 | 0 | 112.9 | Q158 L203 F251 S252 | Q158-K249 HydrophobicContact CB-CB 4.15Å; Q158-K249 HydrophobicContact CB-CD 4.21Å; Q158-K249 WeakPolarHBondContact O-CB 3.34Å; Q158-K249 PolarHBondContact O-N 3.43Å; L203-K249 HydrophobicContact CD1-CB 4.29Å; L203-K249 HydrophobicContact CD2-CB 4.39Å; L203-K249 HydrophobicContact CD2-CD 3.8Å; L203-K249 HydrophobicContact CD2-CG 3.79Å; K249-F251 PolarHBondContact O-N 3.41Å; K249-S252 PolarHBondContact O-N 3.19Å; K249-S252 PolarHBondContact O-OG 2.9Å; K249-S252 VanDerWaalsContact O-OG 3.08Å |
| 250 | D | 89.1 | Confident | 92.3 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -66.8 | -10.6 | 179.7 | 42.9 | -47.8 | 0 | 0 | 0 | 113.8 | Q157 R248 | Q157-D250 PolarHBondContact NE2-OD1 3.2Å; R248-D250 WeakPolarHBondContact CB-OD1 3.46Å; R248-D250 IonicContact CZ-OD1 2.77Å; R248-D250 IonicContact CZ-OD2 2.72Å; R248-D250 VanDerWaalsContact CZ-OD2 3.29Å; R248-D250 IonicContact NE-OD1 3.95Å; R248-D250 PolarHBondContact NE-OD1 3.19Å; R248-D250 VanDerWaalsContact NE-OD1 3.12Å; R248-D250 IonicContact NE-OD2 3.29Å; R248-D250 PolarHBondContact NE-OD2 2.74Å; R248-D250 IonicContact NH2-OD1 3.88Å; R248-D250 IonicContact NH2-OD2 2.83Å; R248-D250 PolarHBondContact NH2-OD2 2.73Å; R248-D250 PolarHBondContact O-N 3.46Å |
| 251 | F | 84.8 | Confident | 91.9 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -121.4 | 18.7 | 176.3 | -63.4 | -97.1 | 0 | 0 | 0 | 112.7 | R248 K249 | R248-F251 HydrophobicContact CB-CD2 3.99Å; R248-F251 CarbonylContact O-C 3.59Å; R248-F251 PolarHBondContact O-N 3.19Å; K249-F251 PolarHBondContact O-N 3.41Å |
| 252 | S | 84.5 | Confident | 91.4 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | trans | -97.9 | 14.4 | -177.5 | 82.2 | 0 | 0 | 0 | 0 | 114.7 | Y160 R248 K249 D254 L255 | Y160-S252 WeakPolarHBondContact CE2-OG 3.29Å; R248-S252 PolarHBondContact O-N 2.98Å; K249-S252 PolarHBondContact O-N 3.19Å; K249-S252 PolarHBondContact O-OG 2.9Å; K249-S252 VanDerWaalsContact O-OG 3.08Å; S252-D254 VanDerWaalsContact C-N 3.28Å; S252-D254 PolarHBondContact O-N 2.85Å; S252-L255 PolarHBondContact O-N 3.07Å | ||
| 253 | S | 82.5 | Confident | 90.8 | Very high | 103 Ų | 103 | 57 Ų | 57 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -41.8 | -177.8 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 254 | D | 83.4 | Confident | 90.2 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 1.1 | -172.4 | -70.3 | -82.4 | 0 | 0 | 0 | 113.8 | S252 S256 K259 P262 | S252-D254 VanDerWaalsContact C-N 3.28Å; S252-D254 PolarHBondContact O-N 2.85Å; D254-S256 PolarHBondContact O-N 3.05Å; D254-S256 VanDerWaalsContact O-N 3.15Å; D254-K259 IonicContact OD1-NZ 2.69Å; D254-P262 HydrophobicContact CB-CG 3.96Å |
| 255 | L | 89.3 | Confident | 89.4 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | trans | -69.9 | 107.5 | 178.1 | 177.9 | 60.8 | 0 | 0 | 0 | 110.4 | Y160 V196 I198 I247 S252 P262 | Y160-L255 HydrophobicContact CD1-CD2 4.04Å; Y160-L255 HydrophobicContact CD2-CD2 4.35Å; Y160-L255 HydrophobicContact CG-CD2 3.84Å; V196-L255 HydrophobicContact CG1-CD1 4.22Å; I198-L255 HydrophobicContact CD1-CD1 4.24Å; I198-L255 HydrophobicContact CD1-CD2 4.11Å; I198-L255 HydrophobicContact CD1-CG 3.92Å; I198-L255 HydrophobicContact CG1-CD1 4.44Å; I247-L255 HydrophobicContact CD1-CD1 3.87Å; I247-L255 HydrophobicContact CD1-CD2 3.85Å; I247-L255 HydrophobicContact CD1-CG 4.43Å; I247-L255 HydrophobicContact CG2-CD2 4.44Å; S252-L255 PolarHBondContact O-N 3.07Å; L255-P262 HydrophobicContact CB-CG 4.33Å | ||
| 256 | S | 90.8 | Very high | 89 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | trans | -128.5 | 156.2 | 165.8 | 90.1 | 0 | 0 | 0 | 0 | 111.5 | D254 T258 K259 | D254-S256 PolarHBondContact O-N 3.05Å; D254-S256 VanDerWaalsContact O-N 3.15Å; S256-T258 PolarHBondContact O-N 2.86Å; S256-T258 VanDerWaalsContact O-N 3.08Å; S256-T258 PolarHBondContact OG-N 2.81Å; S256-T258 PolarHBondContact OG-OG1 2.83Å; S256-K259 PolarHBondContact O-N 3.44Å; S256-K259 WeakPolarHBondContact OG-CB 3.22Å; S256-K259 WeakPolarHBondContact OG-CG 3.31Å; S256-K259 PolarHBondContact OG-N 3.38Å | ||
| 257 | P | 90.8 | Very high | 88.9 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10 | 175.5 | -23.1 | 34.8 | 0 | 0 | 0 | 115.2 | R195 V196 I198 | R195-P257 WeakPolarHBondContact CA-O 3.24Å; V196-P257 PolarHBondContact N-O 3.37Å; V196-P257 WeakPolarHBondContact O-CA 3.36Å; I198-P257 HydrophobicContact CD1-CG 4.18Å |
| 258 | T | 90.9 | Very high | 88.8 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 61% | 0.613 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | 3.9 | -171 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | P194 S256 | P194-T258 CarbonylContact O-C 3.58Å; S256-T258 PolarHBondContact O-N 2.86Å; S256-T258 VanDerWaalsContact O-N 3.08Å; S256-T258 PolarHBondContact OG-N 2.81Å; S256-T258 PolarHBondContact OG-OG1 2.83Å |
| 259 | K | 91 | Very high | 88.9 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -112.3 | 163.3 | 172 | -75.9 | 178.3 | 173.8 | -174.9 | 0 | 109.3 | V196 D254 S256 | V196-K259 VanDerWaalsContact CG2-O 3.23Å; V196-K259 WeakPolarHBondContact CG2-O 3.19Å; D254-K259 IonicContact OD1-NZ 2.69Å; S256-K259 PolarHBondContact O-N 3.44Å; S256-K259 WeakPolarHBondContact OG-CB 3.22Å; S256-K259 WeakPolarHBondContact OG-CG 3.31Å; S256-K259 PolarHBondContact OG-N 3.38Å |
| 260 | P | 89.9 | Confident | 89.1 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 154.3 | 160.6 | -21.7 | 33.3 | 0 | 0 | 0 | 111.6 | P194 | P194-P260 HydrophobicContact CB-CG 4.09Å; P194-P260 HydrophobicContact CG-CG 3.98Å |
| 261 | V | 91 | Very high | 89.5 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 136.4 | 170.5 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | D164 V196 H245 I247 V267 | D164-V261 HydrophobicContact CB-CG2 4.31Å; V196-V261 HydrophobicContact CB-CG2 4.39Å; V196-V261 HydrophobicContact CG1-CG2 3.91Å; V196-V261 HydrophobicContact CG2-CG2 3.51Å; H245-V261 HydrophobicContact CB-CG1 4.1Å; I247-V261 HydrophobicContact CD1-CG1 3.77Å; I247-V261 HydrophobicContact CG1-CG1 4.39Å; V261-V267 HydrophobicContact CG1-CG1 4.11Å |
| 262 | P | 87.6 | Confident | 90.1 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 152.3 | 175.3 | -25.8 | 35.3 | 0 | 0 | 0 | 113.1 | D254 L255 V267 | D254-P262 HydrophobicContact CB-CG 3.96Å; L255-P262 HydrophobicContact CB-CG 4.33Å; P262-V267 HydrophobicContact CB-CG2 4.42Å; P262-V267 WeakPolarHBondContact O-CG1 3.26Å |
| 263 | I | 86 | Confident | 90.8 | Very high | 176 Ų | 176 | 64.5 Ų | 64.5 | 90% | 0.903 | 37% | 0.374 | S | S | * | . | trans | -119.3 | 128.4 | 177.8 | -55.2 | 175.6 | 0 | 0 | 0 | 107.9 | ||||
| 264 | G | 84.3 | Confident | 91.5 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 161 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G266 V267 | G264-G266 PolarHBondContact O-N 3.31Å; G264-G266 VanDerWaalsContact O-N 3.07Å; G264-V267 PolarHBondContact O-N 2.91Å |
| 265 | D | 83.3 | Confident | 92.2 | Very high | 145 Ų | 145 | 57 Ų | 57 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.5 | -166.7 | -50.7 | -35.2 | 0 | 0 | 0 | 114.3 | M110 V267 | M110-D265 WeakPolarHBondContact CG-O 3.29Å; D265-V267 VanDerWaalsContact C-N 3.29Å; D265-V267 PolarHBondContact O-N 3.28Å |
| 266 | G | 88.7 | Confident | 92.7 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 7.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M110 R248 G264 | M110-G266 WeakPolarHBondContact CE-O 3.44Å; R248-G266 PolarHBondContact N-O 3.29Å; G264-G266 PolarHBondContact O-N 3.31Å; G264-G266 VanDerWaalsContact O-N 3.07Å |
| 267 | V | 94 | Very high | 93.1 | Very high | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 107.5 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | V246 I247 V261 P262 G264 D265 | V246-V267 WeakPolarHBondContact O-CA 3.39Å; I247-V267 HydrophobicContact CB-CG2 4.45Å; I247-V267 HydrophobicContact CG1-CB 4.48Å; I247-V267 HydrophobicContact CG1-CG1 3.86Å; I247-V267 HydrophobicContact CG1-CG2 4.06Å; I247-V267 HydrophobicContact CG2-CG2 4.15Å; V261-V267 HydrophobicContact CG1-CG1 4.11Å; P262-V267 HydrophobicContact CB-CG2 4.42Å; P262-V267 WeakPolarHBondContact O-CG1 3.26Å; G264-V267 PolarHBondContact O-N 2.91Å; D265-V267 VanDerWaalsContact C-N 3.29Å; D265-V267 PolarHBondContact O-N 3.28Å |
| 268 | K | 95.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 53 Ų | 53 | 21% | 0.213 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.9 | 169.9 | -113.2 | -175.4 | 166.4 | -173.6 | 0 | 111 | M110 E111 I113 H245 V246 F270 | M110-K268 HydrophobicContact CB-CD 4.41Å; M110-K268 WeakPolarHBondContact O-CD 3.26Å; M110-K268 WeakPolarHBondContact O-CE 3.36Å; M110-K268 PolarHBondContact O-NZ 2.84Å; M110-K268 HydrophobicContact SD-CB 3.97Å; M110-K268 HydrophobicContact SD-CD 4.45Å; M110-K268 HydrophobicContact SD-CG 4.26Å; E111-K268 PolarHBondContact O-NZ 3.18Å; I113-K268 HydrophobicContact CB-CD 3.98Å; I113-K268 HydrophobicContact CD1-CD 4.49Å; I113-K268 PolarHBondContact O-NZ 3.07Å; H245-K268 WeakPolarHBondContact CA-O 3.23Å; V246-K268 HydrophobicContact CB-CB 4.47Å; V246-K268 PolarHBondContact N-O 3.09Å; V246-K268 PolarHBondContact O-N 3.43Å; K268-F270 HydrophobicContact CB-CE2 3.78Å; K268-F270 HydrophobicContact CB-CZ 4.16Å; K268-F270 HydrophobicContact CD-CE2 4.31Å; K268-F270 HydrophobicContact CD-CZ 3.82Å; K268-F270 HydrophobicContact CG-CE2 4.48Å; K268-F270 HydrophobicContact CG-CZ 4.39Å |
| 269 | T | 96.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.9 | -179.8 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | R243 V244 H245 | R243-T269 HydrophobicContact CB-CG2 4.05Å; V244-T269 WeakPolarHBondContact O-CA 3.09Å; H245-T269 VanDerWaalsContact CE1-CG2 3.46Å; H245-T269 WeakPolarHBondContact CE1-CG2 3.31Å; H245-T269 WeakPolarHBondContact ND1-CG2 3.34Å; H245-T269 PolarHBondContact ND1-OG1 3.42Å |
| 270 | F | 97.6 | Very high | 94.2 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 16% | 0.158 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.4 | -179.1 | -58.3 | -93.7 | 0 | 0 | 0 | 110.1 | I113 V115 R243 V244 V246 K268 | I113-F270 HydrophobicContact CG2-CE2 4.4Å; I113-F270 HydrophobicContact CG2-CZ 4.02Å; I113-F270 WeakPolarHBondContact O-CZ 3.5Å; V115-F270 HydrophobicContact CB-CB 4.33Å; V115-F270 HydrophobicContact CB-CD1 3.83Å; V115-F270 HydrophobicContact CB-CD2 4.02Å; V115-F270 HydrophobicContact CB-CE1 4.05Å; V115-F270 HydrophobicContact CB-CE2 4.23Å; V115-F270 HydrophobicContact CB-CG 3.79Å; V115-F270 HydrophobicContact CB-CZ 4.24Å; V115-F270 HydrophobicContact CG2-CD1 4Å; V115-F270 HydrophobicContact CG2-CD2 3.48Å; V115-F270 VanDerWaalsContact CG2-CD2 3.48Å; V115-F270 HydrophobicContact CG2-CE1 3.88Å; V115-F270 HydrophobicContact CG2-CE2 3.34Å; V115-F270 HydrophobicContact CG2-CG 3.8Å; V115-F270 HydrophobicContact CG2-CZ 3.54Å; R243-F270 CarbonylContact C-O 3.57Å; R243-F270 WeakPolarHBondContact CA-O 3.37Å; V244-F270 PolarHBondContact N-O 2.8Å; V244-F270 PolarHBondContact O-N 2.83Å; V246-F270 HydrophobicContact CB-CE2 4.35Å; V246-F270 HydrophobicContact CG2-CD2 4.27Å; V246-F270 HydrophobicContact CG2-CE2 3.74Å; K268-F270 HydrophobicContact CB-CE2 3.78Å; K268-F270 HydrophobicContact CB-CZ 4.16Å; K268-F270 HydrophobicContact CD-CE2 4.31Å; K268-F270 HydrophobicContact CD-CZ 3.82Å; K268-F270 HydrophobicContact CG-CE2 4.48Å; K268-F270 HydrophobicContact CG-CZ 4.39Å |
| 271 | N | 96.9 | Very high | 94.6 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.4 | 175 | 67.4 | 89.4 | 0 | 0 | 0 | 109.7 | Q241 R243 | Q241-N271 HydrophobicContact CG-CB 4.24Å; R243-N271 HydrophobicContact CG-CB 4.42Å |
| 272 | F | 98.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 44 Ų | 44 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | trans | -131 | 110.7 | -176.5 | -59.6 | -72.9 | 0 | 0 | 0 | 108.5 | V115 L117 V148 Q241 E274 T275 | V115-F272 HydrophobicContact CG1-CE2 4.45Å; V115-F272 HydrophobicContact CG1-CZ 4.05Å; V115-F272 WeakPolarHBondContact O-CZ 3.42Å; L117-F272 HydrophobicContact CB-CD1 3.78Å; L117-F272 HydrophobicContact CB-CD2 4.15Å; L117-F272 HydrophobicContact CB-CE1 3.81Å; L117-F272 HydrophobicContact CB-CE2 4.18Å; L117-F272 HydrophobicContact CB-CG 3.95Å; L117-F272 HydrophobicContact CB-CZ 4.01Å; L117-F272 HydrophobicContact CD1-CD2 4.21Å; L117-F272 HydrophobicContact CD2-CB 3.99Å; L117-F272 HydrophobicContact CD2-CD1 4.47Å; L117-F272 HydrophobicContact CD2-CG 4.11Å; L117-F272 HydrophobicContact CG-CG 4.42Å; V148-F272 HydrophobicContact CG1-CE2 4.02Å; V148-F272 HydrophobicContact CG1-CZ 4.46Å; Q241-F272 PolarHBondContact NE2-O 2.95Å; Q241-F272 VanDerWaalsContact NE2-O 3.09Å; F272-E274 PolarHBondContact O-N 2.78Å; F272-T275 HydrophobicContact CB-CG2 3.75Å; F272-T275 WeakPolarHBondContact O-CB 3.32Å; F272-T275 PolarHBondContact O-N 2.69Å; F272-T275 PolarHBondContact O-OG1 2.91Å | ||
| 273 | P | 98.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -57.8 | -32.2 | -175.4 | -28.4 | 36.5 | 0 | 0 | 0 | 114.1 | H127 T275 V276 | H127-P273 PolarHBondContact CE1-O 2.89Å; H127-P273 PolarHBondContact ND1-O 2.83Å; P273-T275 PolarHBondContact O-N 3.03Å; P273-V276 WeakPolarHBondContact O-CG2 3.38Å; P273-V276 PolarHBondContact O-N 3.34Å |
| 274 | E | 98.1 | Very high | 96 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68.3 | -12.2 | 175.9 | 65.5 | -94.4 | -107.3 | 0 | 0 | 113.8 | L117 W123 K124 H127 F272 | L117-E274 HydrophobicContact CD2-CG 3.72Å; W123-E274 HydrophobicContact CB-CB 4.36Å; W123-E274 HydrophobicContact CB-CG 3.82Å; K124-E274 WeakPolarHBondContact CE-OE1 3Å; K124-E274 HydrophobicContact CG-CB 3.91Å; K124-E274 HydrophobicContact CG-CG 4.1Å; K124-E274 IonicContact NZ-OE1 3.99Å; H127-E274 HydrophobicContact CB-CB 4.25Å; F272-E274 PolarHBondContact O-N 2.78Å |
| 275 | T | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -89.9 | -4 | 176.9 | 67.9 | 0 | 0 | 0 | 0 | 114.2 | L117 W123 Q241 P242 F272 P273 F277 | L117-T275 HydrophobicContact CD1-CG2 4.01Å; L117-T275 HydrophobicContact CD2-CG2 3.62Å; L117-T275 HydrophobicContact CG-CG2 4.5Å; W123-T275 HydrophobicContact CD2-CG2 3.84Å; W123-T275 HydrophobicContact CE3-CG2 3.94Å; W123-T275 HydrophobicContact CG-CG2 4.23Å; W123-T275 HydrophobicContact CH2-CG2 4.48Å; W123-T275 HydrophobicContact CZ2-CG2 4.42Å; W123-T275 HydrophobicContact CZ3-CG2 4.25Å; Q241-T275 PolarHBondContact NE2-OG1 3.4Å; P242-T275 WeakPolarHBondContact CD-O 3.46Å; F272-T275 HydrophobicContact CB-CG2 3.75Å; F272-T275 WeakPolarHBondContact O-CB 3.32Å; F272-T275 PolarHBondContact O-N 2.69Å; F272-T275 PolarHBondContact O-OG1 2.91Å; P273-T275 PolarHBondContact O-N 3.03Å; T275-F277 WeakPolarHBondContact O-CD1 3.42Å; T275-F277 PolarHBondContact O-N 2.98Å |
| 276 | V | 98.7 | Very high | 97.2 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | trans | -56.2 | 134.5 | 171.8 | 173 | 0 | 0 | 0 | 0 | 110.4 | T131 V168 Y240 Q241 P273 | T131-V276 WeakPolarHBondContact CB-O 3.41Å; T131-V276 PolarHBondContact OG1-O 2.95Å; V168-V276 HydrophobicContact CG2-CG1 4.07Å; V168-V276 HydrophobicContact CG2-CG2 4.38Å; Y240-V276 WeakPolarHBondContact O-CA 3.49Å; Q241-V276 HydrophobicContact CB-CG2 4.39Å; P273-V276 WeakPolarHBondContact O-CG2 3.38Å; P273-V276 PolarHBondContact O-N 3.34Å | ||
| 277 | F | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.8 | 176.4 | 63.8 | -107.5 | 0 | 0 | 0 | 113.6 | T131 M133 M142 I165 L221 L234 K239 Y240 P242 T275 T279 | T131-F277 HydrophobicContact CG2-CB 3.64Å; T131-F277 CarbonylContact O-C 3.51Å; T131-F277 VanDerWaalsContact O-CA 3.24Å; T131-F277 WeakPolarHBondContact O-CA 3.4Å; T131-F277 WeakPolarHBondContact O-CB 3.48Å; M133-F277 HydrophobicContact CB-CD2 3.66Å; M133-F277 HydrophobicContact CB-CE2 3.83Å; M133-F277 HydrophobicContact CB-CG 4.09Å; M133-F277 HydrophobicContact CB-CZ 4.36Å; M133-F277 HydrophobicContact CE-CD1 4.14Å; M133-F277 HydrophobicContact CG-CB 3.85Å; M133-F277 HydrophobicContact CG-CD1 3.63Å; M133-F277 HydrophobicContact CG-CD2 3.52Å; M133-F277 HydrophobicContact CG-CE1 3.94Å; M133-F277 HydrophobicContact CG-CE2 3.87Å; M133-F277 HydrophobicContact CG-CG 3.4Å; M133-F277 HydrophobicContact CG-CZ 4.06Å; M142-F277 HydrophobicContact SD-CE1 4.07Å; M142-F277 HydrophobicContact SD-CZ 4.47Å; I165-F277 HydrophobicContact CD1-CZ 4.26Å; I165-F277 HydrophobicContact CG2-CZ 4.26Å; L221-F277 HydrophobicContact CD1-CE2 4.03Å; L221-F277 HydrophobicContact CD1-CZ 3.71Å; L234-F277 HydrophobicContact CD1-CE2 4.05Å; L234-F277 HydrophobicContact CD1-CZ 4.14Å; K239-F277 WeakPolarHBondContact CA-O 3.39Å; Y240-F277 HydrophobicContact CD2-CE2 4.5Å; Y240-F277 PolarHBondContact N-O 3.27Å; Y240-F277 PolarHBondContact O-N 2.9Å; Y240-F277 VanDerWaalsContact O-N 3.09Å; P242-F277 HydrophobicContact CG-CD1 4.05Å; P242-F277 HydrophobicContact CG-CE1 3.56Å; T275-F277 WeakPolarHBondContact O-CD1 3.42Å; T275-F277 PolarHBondContact O-N 2.98Å; F277-T279 HydrophobicContact CD2-CG2 4.33Å; F277-T279 HydrophobicContact CE2-CG2 3.83Å |
| 278 | T | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.3 | 165.5 | -49.2 | 0 | 0 | 0 | 0 | 109.5 | T131 E132 M133 W182 H238 | T131-T278 PolarHBondContact O-N 3.21Å; E132-T278 CarbonylContact C-O 3.52Å; E132-T278 VanDerWaalsContact CA-O 3.31Å; E132-T278 WeakPolarHBondContact CA-O 3.49Å; M133-T278 PolarHBondContact N-O 3.2Å; W182-T278 HydrophobicContact CE3-CG2 4.4Å; W182-T278 HydrophobicContact CH2-CG2 3.65Å; W182-T278 HydrophobicContact CZ2-CG2 3.95Å; W182-T278 HydrophobicContact CZ3-CG2 3.9Å; H238-T278 CarbonylContact O-C 3.47Å; H238-T278 VanDerWaalsContact O-CA 3.32Å; H238-T278 WeakPolarHBondContact O-CA 3.33Å |
| 279 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 143 | 171.5 | 43.9 | 0 | 0 | 0 | 0 | 111.7 | I135 L234 H235 M237 H238 Y240 F277 | I135-T279 HydrophobicContact CG2-CG2 3.88Å; L234-T279 HydrophobicContact CB-CG2 3.86Å; L234-T279 HydrophobicContact CD1-CG2 3.67Å; L234-T279 HydrophobicContact CG-CG2 4.43Å; H235-T279 WeakPolarHBondContact O-CB 3.47Å; H235-T279 PolarHBondContact O-OG1 3.07Å; M237-T279 VanDerWaalsContact CA-O 3.29Å; M237-T279 WeakPolarHBondContact CA-O 3.46Å; M237-T279 PolarHBondContact N-O 2.84Å; M237-T279 PolarHBondContact N-OG1 3.04Å; H238-T279 PolarHBondContact N-OG1 3.18Å; H238-T279 PolarHBondContact O-N 2.85Å; H238-T279 PolarHBondContact O-OG1 3.15Å; H238-T279 VanDerWaalsContact O-OG1 3.08Å; Y240-T279 HydrophobicContact CD2-CG2 3.66Å; Y240-T279 HydrophobicContact CE2-CG2 3.67Å; F277-T279 HydrophobicContact CD2-CG2 4.33Å; F277-T279 HydrophobicContact CE2-CG2 3.83Å |
| 280 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 153.8 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | E132 M133 I134 I135 W182 M237 A282 Y283 Q284 | E132-V280 HydrophobicContact CB-CG2 4.01Å; E132-V280 HydrophobicContact CG-CG1 4.43Å; M133-V280 PolarHBondContact O-N 3.26Å; I134-V280 CarbonylContact C-O 3.5Å; I134-V280 VanDerWaalsContact CA-O 3.26Å; I134-V280 WeakPolarHBondContact CA-O 3.42Å; I134-V280 HydrophobicContact CD1-CG2 3.99Å; I135-V280 PolarHBondContact N-O 3.28Å; W182-V280 HydrophobicContact CH2-CG1 3.81Å; W182-V280 HydrophobicContact CZ2-CG1 4.19Å; M237-V280 HydrophobicContact SD-CG1 4.07Å; V280-A282 WeakPolarHBondContact CB-O 3.29Å; V280-Y283 HydrophobicContact CG2-CD1 4.26Å; V280-Q284 HydrophobicContact CG1-CG 4.01Å |
| 281 | T | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 34.9 Ų | 34.9 | 52% | 0.521 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -85.8 | -27 | 169 | 46.2 | 0 | 0 | 0 | 0 | 112.4 | I135 | I135-T281 HydrophobicContact CG1-CG2 4.39Š|
| 282 | A | 98 | Very high | 97.9 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -144.3 | 146.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V280 Q284 | V280-A282 WeakPolarHBondContact CB-O 3.29Å; A282-Q284 PolarHBondContact O-N 3.48Å; A282-Q284 PolarHBondContact O-NE2 3.08Å |
| 283 | Y | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | trans | -62.8 | 133.8 | -176.4 | -65.9 | -60.8 | 0 | 0 | 0 | 112.1 | E132 I134 V280 I288 T289 K292 | E132-Y283 HydrophobicContact CB-CD1 3.94Å; E132-Y283 HydrophobicContact CB-CE1 4.24Å; E132-Y283 WeakPolarHBondContact OE2-CA 3.4Å; I134-Y283 HydrophobicContact CD1-CD1 4.06Å; I134-Y283 HydrophobicContact CD1-CD2 4.12Å; I134-Y283 HydrophobicContact CD1-CE1 4.04Å; I134-Y283 HydrophobicContact CD1-CE2 4.1Å; I134-Y283 HydrophobicContact CD1-CG 4.1Å; I134-Y283 HydrophobicContact CG1-CD1 4.17Å; I134-Y283 HydrophobicContact CG1-CD2 4.34Å; I134-Y283 HydrophobicContact CG1-CE1 3.62Å; I134-Y283 HydrophobicContact CG1-CE2 3.82Å; I134-Y283 HydrophobicContact CG1-CG 4.5Å; I134-Y283 VanDerWaalsContact CG1-CZ 3.41Å; V280-Y283 HydrophobicContact CG2-CD1 4.26Å; Y283-I288 HydrophobicContact CD1-CG2 4.07Å; Y283-I288 HydrophobicContact CE1-CG2 4.16Å; Y283-T289 WeakPolarHBondContact CB-OG1 3.4Å; Y283-K292 HydrophobicContact CE1-CD 4.29Å; Y283-K292 HydrophobicContact CE1-CG 4.07Å; Y283-K292 HydrophobicContact CE2-CG 4.21Å; Y283-K292 WeakPolarHBondContact OH-CD 3.37Å; Y283-K292 WeakPolarHBondContact OH-CE 3.31Å | ||
| 284 | Q | 98.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | trans | -94.2 | -55.3 | -179.8 | -52.4 | -64.6 | -71.3 | 0 | 0 | 110.3 | E132 Y175 Y177 W182 M237 V280 A282 Q286 | E132-Q284 PolarHBondContact OE2-N 3.34Å; Y175-Q284 HydrophobicContact CD1-CB 3.75Å; Y175-Q284 HydrophobicContact CD2-CB 4.26Å; Y175-Q284 HydrophobicContact CE1-CB 4.46Å; Y175-Q284 HydrophobicContact CG-CB 3.61Å; Y175-Q284 HydrophobicContact CG-CG 4.48Å; Y177-Q284 PolarHBondContact OH-OE1 2.97Å; W182-Q284 HydrophobicContact CH2-CB 4.37Å; W182-Q284 HydrophobicContact CH2-CG 3.81Å; W182-Q284 HydrophobicContact CZ2-CB 4.19Å; W182-Q284 HydrophobicContact CZ2-CG 4.08Å; M237-Q284 HydrophobicContact CE-CG 4.41Å; V280-Q284 HydrophobicContact CG1-CG 4.01Å; A282-Q284 PolarHBondContact O-N 3.48Å; A282-Q284 PolarHBondContact O-NE2 3.08Å; Q284-Q286 PolarHBondContact O-N 3.47Å | ||
| 285 | N | 97.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | trans | -79.4 | 114.7 | 178 | -174.2 | -8.7 | 0 | 0 | 0 | 111.5 | I129 E132 Y175 Q287 I288 T289 | I129-N285 VanDerWaalsContact CG2-ND2 3.32Å; I129-N285 WeakPolarHBondContact CG2-ND2 3.32Å; I129-N285 PolarHBondContact O-ND2 2.89Å; E132-N285 VanDerWaalsContact OE1-CB 3.27Å; E132-N285 WeakPolarHBondContact OE1-CB 3.4Å; E132-N285 PolarHBondContact OE1-N 3.15Å; Y175-N285 HydrophobicContact CE2-CB 4.01Å; N285-Q287 PolarHBondContact O-N 3.38Å; N285-Q287 VanDerWaalsContact OD1-CB 3.31Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.41Å; N285-Q287 PolarHBondContact OD1-N 3Å; N285-I288 HydrophobicContact CB-CB 4.49Å; N285-I288 HydrophobicContact CB-CG1 4.02Å; N285-I288 WeakPolarHBondContact O-CA 3.47Å; N285-I288 WeakPolarHBondContact O-CB 3.42Å; N285-I288 PolarHBondContact O-N 2.73Å; N285-T289 PolarHBondContact O-N 3.41Å | ||
| 286 | Q | 96.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.7 | -17.6 | 179.3 | -60.7 | -52.3 | -36.1 | 0 | 0 | 114.2 | L11 Q284 T289 R290 | L11-Q286 HydrophobicContact CD1-CB 4.37Å; L11-Q286 HydrophobicContact CD1-CG 4.37Å; Q284-Q286 PolarHBondContact O-N 3.47Å; Q286-T289 PolarHBondContact O-N 2.94Å; Q286-T289 PolarHBondContact OE1-OG1 2.9Å; Q286-T289 VanDerWaalsContact OE1-OG1 3.07Å; Q286-R290 WeakPolarHBondContact O-CG 3.41Å; Q286-R290 PolarHBondContact O-N 3.31Å |
| 287 | Q | 97.5 | Very high | 97.3 | Very high | 110 Ų | 110 | 38 Ų | 38 | 51% | 0.514 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.8 | -38.7 | 169.2 | -62.6 | 178.2 | -17.6 | 0 | 0 | 111.2 | I129 N285 R290 L291 | I129-Q287 HydrophobicContact CD1-CB 4.49Å; I129-Q287 HydrophobicContact CG2-CB 3.61Å; N285-Q287 PolarHBondContact O-N 3.38Å; N285-Q287 VanDerWaalsContact OD1-CB 3.31Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.41Å; N285-Q287 PolarHBondContact OD1-N 3Å; Q287-R290 PolarHBondContact O-N 3.2Å; Q287-L291 PolarHBondContact O-N 2.92Å |
| 288 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -48.5 | 171.1 | -60 | -68.1 | 0 | 0 | 0 | 109.5 | F126 I129 G130 E132 Y283 N285 R290 L291 K292 | F126-I288 HydrophobicContact CD1-CD1 3.95Å; F126-I288 HydrophobicContact CD1-CG2 4.4Å; F126-I288 HydrophobicContact CE1-CG2 4.29Å; I129-I288 HydrophobicContact CB-CD1 3.69Å; I129-I288 HydrophobicContact CG2-CD1 3.45Å; I129-I288 VanDerWaalsContact CG2-CD1 3.45Å; I129-I288 HydrophobicContact CG2-CG1 3.75Å; G130-I288 VanDerWaalsContact O-CD1 3.27Å; G130-I288 WeakPolarHBondContact O-CD1 3.32Å; E132-I288 HydrophobicContact CB-CG2 4.1Å; E132-I288 HydrophobicContact CG-CG1 4.28Å; Y283-I288 HydrophobicContact CD1-CG2 4.07Å; Y283-I288 HydrophobicContact CE1-CG2 4.16Å; N285-I288 HydrophobicContact CB-CB 4.49Å; N285-I288 HydrophobicContact CB-CG1 4.02Å; N285-I288 WeakPolarHBondContact O-CA 3.47Å; N285-I288 WeakPolarHBondContact O-CB 3.42Å; N285-I288 PolarHBondContact O-N 2.73Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-R290 PolarHBondContact O-N 3.26Å; I288-L291 PolarHBondContact O-N 3.13Å; I288-L291 VanDerWaalsContact O-N 3.1Å; I288-K292 HydrophobicContact CG2-CD 4.28Å; I288-K292 HydrophobicContact CG2-CG 3.81Å; I288-K292 WeakPolarHBondContact O-CG 3.29Å; I288-K292 PolarHBondContact O-N 2.82Å |
| 289 | T | 96.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -50.7 | -48.5 | 177.2 | -51 | 0 | 0 | 0 | 0 | 112 | Y283 N285 Q286 K292 I293 | Y283-T289 WeakPolarHBondContact CB-OG1 3.4Å; N285-T289 PolarHBondContact O-N 3.41Å; Q286-T289 PolarHBondContact O-N 2.94Å; Q286-T289 PolarHBondContact OE1-OG1 2.9Å; Q286-T289 VanDerWaalsContact OE1-OG1 3.07Å; T289-K292 PolarHBondContact O-N 2.91Å; T289-I293 HydrophobicContact CG2-CD1 4.01Å; T289-I293 VanDerWaalsContact O-CG1 3.3Å; T289-I293 WeakPolarHBondContact O-CG1 3.03Å; T289-I293 PolarHBondContact O-N 2.8Å |
| 290 | R | 96.4 | Very high | 96.4 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 175.5 | -71.3 | 173.7 | 176 | 131.1 | -6.3 | 111.9 | V9 L11 Q286 Q287 I288 K292 I293 D294 | V9-R290 PolarHBondContact O-NH2 3.13Å; L11-R290 HydrophobicContact CD2-CG 3.62Å; Q286-R290 WeakPolarHBondContact O-CG 3.41Å; Q286-R290 PolarHBondContact O-N 3.31Å; Q287-R290 PolarHBondContact O-N 3.2Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-R290 PolarHBondContact O-N 3.26Å; R290-K292 VanDerWaalsContact C-N 3.31Å; R290-K292 PolarHBondContact O-N 3.27Å; R290-I293 WeakPolarHBondContact O-CA 3.21Å; R290-I293 WeakPolarHBondContact O-CB 3.38Å; R290-I293 PolarHBondContact O-N 3.48Å; R290-D294 PolarHBondContact O-N 3.21Å |
| 291 | L | 97.5 | Very high | 96 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -33.4 | -178.3 | -170.8 | 64.5 | 0 | 0 | 0 | 112.7 | R125 F126 I129 Q287 I288 R295 | R125-L291 HydrophobicContact CB-CD2 4.15Å; R125-L291 VanDerWaalsContact O-CD2 3.29Å; R125-L291 WeakPolarHBondContact O-CD2 3.46Å; F126-L291 HydrophobicContact CD1-CD2 3.64Å; F126-L291 HydrophobicContact CD1-CG 4.21Å; F126-L291 HydrophobicContact CD2-CD2 4.12Å; F126-L291 HydrophobicContact CE1-CB 3.8Å; F126-L291 HydrophobicContact CE1-CD2 3.63Å; F126-L291 HydrophobicContact CE1-CG 3.65Å; F126-L291 HydrophobicContact CE2-CD2 4.11Å; F126-L291 HydrophobicContact CE2-CG 4.12Å; F126-L291 HydrophobicContact CG-CD2 3.88Å; F126-L291 HydrophobicContact CZ-CB 4.09Å; F126-L291 HydrophobicContact CZ-CD2 3.87Å; F126-L291 HydrophobicContact CZ-CG 3.6Å; I129-L291 HydrophobicContact CD1-CD2 3.93Å; Q287-L291 PolarHBondContact O-N 2.92Å; I288-L291 PolarHBondContact O-N 3.13Å; I288-L291 VanDerWaalsContact O-N 3.1Å; L291-R295 HydrophobicContact CD1-CG 3.68Å; L291-R295 HydrophobicContact CG-CG 4.27Å; L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.46Å; L291-R295 VanDerWaalsContact O-CG 3.28Å; L291-R295 WeakPolarHBondContact O-CG 3.21Å; L291-R295 PolarHBondContact O-N 2.91Å; L291-R295 VanDerWaalsContact O-N 3.12Å |
| 292 | K | 97.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 170.5 | -61.8 | -73.1 | -168.4 | -150.7 | 0 | 110.5 | F126 E132 F143 Y283 I288 T289 R290 N296 | F126-K292 HydrophobicContact CE1-CD 3.57Å; F126-K292 HydrophobicContact CE1-CG 3.89Å; F126-K292 HydrophobicContact CZ-CD 3.74Å; F126-K292 HydrophobicContact CZ-CG 4.24Å; E132-K292 WeakPolarHBondContact O-CE 3.42Å; E132-K292 PolarHBondContact O-NZ 2.72Å; F143-K292 HydrophobicContact CD1-CD 3.86Å; F143-K292 PolarHBondContact O-NZ 3.44Å; Y283-K292 HydrophobicContact CE1-CD 4.29Å; Y283-K292 HydrophobicContact CE1-CG 4.07Å; Y283-K292 HydrophobicContact CE2-CG 4.21Å; Y283-K292 WeakPolarHBondContact OH-CD 3.37Å; Y283-K292 WeakPolarHBondContact OH-CE 3.31Å; I288-K292 HydrophobicContact CG2-CD 4.28Å; I288-K292 HydrophobicContact CG2-CG 3.81Å; I288-K292 WeakPolarHBondContact O-CG 3.29Å; I288-K292 PolarHBondContact O-N 2.82Å; T289-K292 PolarHBondContact O-N 2.91Å; R290-K292 VanDerWaalsContact C-N 3.31Å; R290-K292 PolarHBondContact O-N 3.27Å; K292-N296 WeakPolarHBondContact O-CB 3.3Å; K292-N296 PolarHBondContact O-N 2.54Å |
| 293 | I | 96.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 177.9 | -73.6 | 167.6 | 0 | 0 | 0 | 111.3 | A15 T289 R290 R295 F302 R303 | A15-I293 HydrophobicContact CB-CD1 3.84Å; T289-I293 HydrophobicContact CG2-CD1 4.01Å; T289-I293 VanDerWaalsContact O-CG1 3.3Å; T289-I293 WeakPolarHBondContact O-CG1 3.03Å; T289-I293 PolarHBondContact O-N 2.8Å; R290-I293 WeakPolarHBondContact O-CA 3.21Å; R290-I293 WeakPolarHBondContact O-CB 3.38Å; R290-I293 PolarHBondContact O-N 3.48Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 PolarHBondContact O-N 3.18Å; I293-F302 HydrophobicContact CD1-CB 4.03Å; I293-F302 HydrophobicContact CG1-CB 3.96Å; I293-F302 HydrophobicContact CG2-CB 3.98Å; I293-R303 HydrophobicContact CG2-CB 4.25Å; I293-R303 HydrophobicContact CG2-CG 3.62Å; I293-R303 WeakPolarHBondContact O-CG 3.45Å; I293-R303 PolarHBondContact O-NE 2.93Å; I293-R303 PolarHBondContact O-NH2 3.28Å |
| 294 | D | 96.2 | Very high | 93.9 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -30.8 | -175.7 | -68.9 | -22.6 | 0 | 0 | 0 | 113.7 | R290 R303 | R290-D294 PolarHBondContact O-N 3.21Å; D294-R303 PolarHBondContact O-NE 3.02Å; D294-R303 PolarHBondContact O-NH1 2.86Å; D294-R303 PolarHBondContact O-NH2 3.08Å; D294-R303 VanDerWaalsContact O-NH2 3.09Å |
| 295 | R | 96.5 | Very high | 91.9 | Very high | 102 Ų | 102 | 65.2 Ų | 65.2 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -107.6 | -29.3 | -171.9 | -53.7 | -57.8 | 176.1 | 91.8 | -3.4 | 113.9 | L122 F143 L291 I293 P297 | L122-R295 HydrophobicContact CD1-CB 4Å; L122-R295 HydrophobicContact CD1-CG 3.85Å; F143-R295 HydrophobicContact CE1-CB 4.02Å; F143-R295 VanDerWaalsContact CZ-C 3.44Å; F143-R295 HydrophobicContact CZ-CB 3.99Å; F143-R295 WeakPolarHBondContact CZ-O 3.31Å; L291-R295 HydrophobicContact CD1-CG 3.68Å; L291-R295 HydrophobicContact CG-CG 4.27Å; L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.46Å; L291-R295 VanDerWaalsContact O-CG 3.28Å; L291-R295 WeakPolarHBondContact O-CG 3.21Å; L291-R295 PolarHBondContact O-N 2.91Å; L291-R295 VanDerWaalsContact O-N 3.12Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 PolarHBondContact O-N 3.18Å; R295-P297 WeakPolarHBondContact O-CD 3.38Å |
| 296 | N | 96 | Very high | 89.7 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | trans | -76.9 | 121.5 | 178.2 | -170.7 | -24.2 | 0 | 0 | 0 | 110.6 | F143 K292 F298 A299 R303 | F143-N296 HydrophobicContact CD1-CB 3.88Å; F143-N296 HydrophobicContact CD2-CB 3.9Å; F143-N296 HydrophobicContact CE1-CB 3.8Å; F143-N296 HydrophobicContact CE2-CB 3.83Å; F143-N296 HydrophobicContact CG-CB 3.94Å; F143-N296 VanDerWaalsContact CZ-CA 3.42Å; F143-N296 HydrophobicContact CZ-CB 3.79Å; K292-N296 WeakPolarHBondContact O-CB 3.3Å; K292-N296 PolarHBondContact O-N 2.54Å; N296-F298 VanDerWaalsContact C-N 3.27Å; N296-F298 PolarHBondContact O-N 3.06Å; N296-F298 WeakPolarHBondContact OD1-CB 3.42Å; N296-F298 WeakPolarHBondContact OD1-CD2 3.44Å; N296-F298 PolarHBondContact OD1-N 3.09Å; N296-A299 HydrophobicContact CB-CB 3.99Å; N296-A299 PolarHBondContact O-N 3.37Å; N296-R303 PolarHBondContact O-NH2 2.89Å | ||
| 297 | P | 94.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 76.4 Ų | 76.4 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -58.4 | -37.8 | 176.8 | -24.8 | 35.5 | 0 | 0 | 0 | 112.9 | R295 A299 K300 | R295-P297 WeakPolarHBondContact O-CD 3.38Å; P297-A299 PolarHBondContact O-N 2.94Å; P297-K300 VanDerWaalsContact O-CB 3.3Å; P297-K300 WeakPolarHBondContact O-CB 3.38Å; P297-K300 PolarHBondContact O-N 3.2Å; P297-K300 VanDerWaalsContact O-N 3.12Å |
| 298 | F | 93.3 | Very high | 85.3 | Confident | 190 Ų | 190 | 79 Ų | 79 | 83% | 0.833 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -70.6 | -10.6 | 178.9 | -56.6 | -73.6 | 0 | 0 | 0 | 113.4 | N296 | N296-F298 VanDerWaalsContact C-N 3.27Å; N296-F298 PolarHBondContact O-N 3.06Å; N296-F298 WeakPolarHBondContact OD1-CB 3.42Å; N296-F298 WeakPolarHBondContact OD1-CD2 3.44Å; N296-F298 PolarHBondContact OD1-N 3.09Å |
| 299 | A | 92.9 | Very high | 83.1 | Confident | 14 Ų | 14 | 85.7 Ų | 85.7 | 12% | 0.116 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -99.9 | 6.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N296 P297 G301 F302 | N296-A299 HydrophobicContact CB-CB 3.99Å; N296-A299 PolarHBondContact O-N 3.37Å; P297-A299 PolarHBondContact O-N 2.94Å; A299-G301 PolarHBondContact O-N 2.85Å; A299-G301 VanDerWaalsContact O-N 3.09Å; A299-F302 PolarHBondContact O-N 2.92Å |
| 300 | K | 90 | Very high | 81.1 | Confident | 150 Ų | 150 | 89.7 Ų | 89.7 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -51.3 | -37.1 | -177.3 | -175.5 | -179.7 | 177.3 | -175.7 | 0 | 113.4 | P297 F302 R303 | P297-K300 VanDerWaalsContact O-CB 3.3Å; P297-K300 WeakPolarHBondContact O-CB 3.38Å; P297-K300 PolarHBondContact O-N 3.2Å; P297-K300 VanDerWaalsContact O-N 3.12Å; K300-F302 PolarHBondContact O-N 3.14Å; K300-R303 WeakPolarHBondContact O-CB 3.46Å; K300-R303 PolarHBondContact O-N 3.21Å |
| 301 | G | 90.3 | Very high | 79 | Confident | 57 Ų | 57 | 87.6 Ų | 87.6 | 59% | 0.588 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -71 | -1.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A299 | A299-G301 PolarHBondContact O-N 2.85Å; A299-G301 VanDerWaalsContact O-N 3.09Å |
| 302 | F | 88.9 | Confident | 77.1 | Confident | 57 Ų | 57 | 93.3 Ų | 93.3 | 25% | 0.25 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -108.4 | -10.6 | 171.5 | -64.1 | -91.3 | 0 | 0 | 0 | 113.1 | R14 F18 I293 A299 K300 | R14-F302 HydrophobicContact CB-CD1 4.32Å; R14-F302 HydrophobicContact CB-CE1 4.42Å; R14-F302 HydrophobicContact CG-CD1 4.21Å; R14-F302 HydrophobicContact CG-CE1 3.85Å; R14-F302 WeakPolarHBondContact O-CE1 3.5Å; F18-F302 HydrophobicContact CD2-CE1 4.47Å; F18-F302 AromaticContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CZ 4.02Å; I293-F302 HydrophobicContact CD1-CB 4.03Å; I293-F302 HydrophobicContact CG1-CB 3.96Å; I293-F302 HydrophobicContact CG2-CB 3.98Å; A299-F302 PolarHBondContact O-N 2.92Å; K300-F302 PolarHBondContact O-N 3.14Å |
| 303 | R | 91.3 | Very high | 75.1 | Confident | 80 Ų | 80 | 97 Ų | 97 | 30% | 0.302 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -65.3 | 141.8 | 168.7 | -59.2 | 175.7 | -164.4 | -173 | 4.1 | 107.5 | I293 D294 N296 K300 S305 | I293-R303 HydrophobicContact CG2-CB 4.25Å; I293-R303 HydrophobicContact CG2-CG 3.62Å; I293-R303 WeakPolarHBondContact O-CG 3.45Å; I293-R303 PolarHBondContact O-NE 2.93Å; I293-R303 PolarHBondContact O-NH2 3.28Å; D294-R303 PolarHBondContact O-NE 3.02Å; D294-R303 PolarHBondContact O-NH1 2.86Å; D294-R303 PolarHBondContact O-NH2 3.08Å; D294-R303 VanDerWaalsContact O-NH2 3.09Å; N296-R303 PolarHBondContact O-NH2 2.89Å; K300-R303 WeakPolarHBondContact O-CB 3.46Å; K300-R303 PolarHBondContact O-N 3.21Å; R303-S305 PolarHBondContact O-N 3.06Å; R303-S305 PolarHBondContact O-OG 3.08Å; R303-S305 VanDerWaalsContact O-OG 3.13Å |
| 304 | D | 70.5 | Confident | 73.1 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | trans | -65.1 | 83.8 | -176.3 | -70.6 | -60.3 | 0 | 0 | 0 | 111.6 | S12 G306 | S12-D304 WeakPolarHBondContact CB-OD1 3.46Å; D304-G306 PolarHBondContact O-N 3.29Å | ||
| 305 | S | 56.2 | Low | 71.6 | Confident | 97 Ų | 97 | 99 Ų | 99 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | trans | -71.2 | 95.3 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 106.8 | R303 R307 | R303-S305 PolarHBondContact O-N 3.06Å; R303-S305 PolarHBondContact O-OG 3.08Å; R303-S305 VanDerWaalsContact O-OG 3.13Å; S305-R307 PolarHBondContact O-N 3.26Å | ||
| 306 | G | 52 | Low | 70 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 54% | 0.536 | 54% | 0.541 | S | S | . | . | trans | -41.7 | 106.7 | -154.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D304 N308 R309 | D304-G306 PolarHBondContact O-N 3.29Å; G306-N308 PolarHBondContact O-N 3.01Å; G306-R309 PolarHBondContact O-N 2.97Å; G306-R309 VanDerWaalsContact O-N 3.14Å | ||
| 307 | R | 51.7 | Low | 68.1 | Low | 238 Ų | 238 | 103.9 Ų | 103.9 | 90% | 0.898 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 32.4 | -177.1 | -154.7 | -174 | 175.8 | -173.9 | -2.4 | 113.7 | S305 | S305-R307 PolarHBondContact O-N 3.26Š|
| 308 | N | 49.3 | Very low | 66.2 | Low | 163 Ų | 163 | 103.3 Ų | 103.3 | 87% | 0.872 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -10.1 | 167.3 | -67.8 | -9.5 | 0 | 0 | 0 | 111.8 | G306 T310 | G306-N308 PolarHBondContact O-N 3.01Å; N308-T310 PolarHBondContact O-N 2.69Å |
| 309 | R | 50.8 | Low | 64.5 | Low | 141 Ų | 141 | 102.5 Ų | 102.5 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -72.7 | 109.1 | 168.4 | -81 | -170.8 | 153.2 | -170.7 | -8 | 109.9 | G306 E313 E317 | G306-R309 PolarHBondContact O-N 2.97Å; G306-R309 VanDerWaalsContact O-N 3.14Å; R309-E313 IonicContact CZ-OE2 3.74Å; R309-E313 IonicContact NE-OE2 3.01Å; R309-E313 PolarHBondContact NE-OE2 3.35Å; R309-E317 IonicContact CZ-OE1 3.66Å; R309-E317 IonicContact CZ-OE2 2.64Å; R309-E317 IonicContact NH1-OE1 3.17Å; R309-E317 PolarHBondContact NH1-OE1 3.25Å; R309-E317 IonicContact NH1-OE2 3.68Å; R309-E317 PolarHBondContact NH1-OE2 3.27Å; R309-E317 IonicContact NH2-OE1 3.34Å; R309-E317 PolarHBondContact NH2-OE1 3.29Å; R309-E317 IonicContact NH2-OE2 3.99Å |
| 310 | T | 55.3 | Low | 62.9 | Low | 97 Ų | 97 | 105 Ų | 105 | 60% | 0.595 | 57% | 0.565 | S | S | * | * | trans | -59.2 | 142.1 | 169.4 | 43 | 0 | 0 | 0 | 0 | 109.6 | N308 L312 E313 | N308-T310 PolarHBondContact O-N 2.69Å; T310-L312 PolarHBondContact O-N 2.89Å; T310-E313 PolarHBondContact O-N 2.55Å | ||
| 311 | G | 52.8 | Low | 61.2 | Low | 53 Ų | 53 | 106.8 Ų | 106.8 | 55% | 0.546 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.3 | -21.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I315 | G311-I315 WeakPolarHBondContact O-CG1 3.39Å; G311-I315 PolarHBondContact O-N 3.37Å |
| 312 | L | 56.9 | Low | 59.5 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61 | -40.5 | 172.6 | -83.4 | 163.6 | 0 | 0 | 0 | 113 | T310 I315 M316 | T310-L312 PolarHBondContact O-N 2.89Å; L312-I315 PolarHBondContact O-N 3.22Å; L312-M316 VanDerWaalsContact O-CB 3.26Å; L312-M316 WeakPolarHBondContact O-CB 3.25Å; L312-M316 PolarHBondContact O-N 3.13Å |
| 313 | E | 55.7 | Low | 57.6 | Low | 83 Ų | 83 | 120.8 Ų | 120.8 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.6 | -39.8 | -179.2 | -73.6 | -164.3 | 167 | 0 | 0 | 112.3 | R309 T310 I315 M316 E317 | R309-E313 IonicContact CZ-OE2 3.74Å; R309-E313 IonicContact NE-OE2 3.01Å; R309-E313 PolarHBondContact NE-OE2 3.35Å; T310-E313 PolarHBondContact O-N 2.55Å; E313-I315 VanDerWaalsContact C-N 3.29Å; E313-I315 PolarHBondContact O-N 3.4Å; E313-M316 PolarHBondContact O-N 2.86Å; E313-E317 WeakPolarHBondContact O-CB 3.46Å; E313-E317 PolarHBondContact O-N 2.88Å |
| 314 | A | 55 | Low | 55.3 | Low | 52 Ų | 52 | 121.9 Ų | 121.9 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -35.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T318 | A314-T318 WeakPolarHBondContact O-CB 3.48Å; A314-T318 PolarHBondContact O-N 2.8Å; A314-T318 PolarHBondContact O-OG1 2.74Å |
| 315 | I | 63.3 | Low | 54.2 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.4 | -42.8 | 172.4 | -66.3 | 167.6 | 0 | 0 | 0 | 110 | G311 L312 E313 T318 Y319 | G311-I315 WeakPolarHBondContact O-CG1 3.39Å; G311-I315 PolarHBondContact O-N 3.37Å; L312-I315 PolarHBondContact O-N 3.22Å; E313-I315 VanDerWaalsContact C-N 3.29Å; E313-I315 PolarHBondContact O-N 3.4Å; I315-T318 CarbonylContact O-C 3.58Å; I315-T318 WeakPolarHBondContact O-CA 3.34Å; I315-T318 WeakPolarHBondContact O-CB 3.49Å; I315-T318 PolarHBondContact O-N 3.43Å; I315-T318 VanDerWaalsContact O-N 3.16Å; I315-Y319 HydrophobicContact CG2-CD2 3.75Å; I315-Y319 HydrophobicContact CG2-CE2 3.89Å; I315-Y319 WeakPolarHBondContact O-CD2 3.38Å; I315-Y319 PolarHBondContact O-N 3.41Å |
| 316 | M | 62.9 | Low | 53.8 | Low | 131 Ų | 131 | 124 Ų | 124 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.4 | -39 | -178 | -165.7 | 166.2 | 68.6 | 0 | 0 | 112.9 | L312 E313 T318 Y319 A320 | L312-M316 VanDerWaalsContact O-CB 3.26Å; L312-M316 WeakPolarHBondContact O-CB 3.25Å; L312-M316 PolarHBondContact O-N 3.13Å; E313-M316 PolarHBondContact O-N 2.86Å; M316-T318 VanDerWaalsContact C-N 3.31Å; M316-Y319 PolarHBondContact O-N 3.45Å; M316-A320 WeakPolarHBondContact O-CB 3.1Å; M316-A320 PolarHBondContact O-N 3.35Å |
| 317 | E | 55.8 | Low | 53.6 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 44% | 0.444 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -61.6 | -39.7 | 168.3 | -77.2 | -177.8 | 157.8 | 0 | 0 | 111.1 | R309 E313 A320 F321 | R309-E317 IonicContact CZ-OE1 3.66Å; R309-E317 IonicContact CZ-OE2 2.64Å; R309-E317 IonicContact NH1-OE1 3.17Å; R309-E317 PolarHBondContact NH1-OE1 3.25Å; R309-E317 IonicContact NH1-OE2 3.68Å; R309-E317 PolarHBondContact NH1-OE2 3.27Å; R309-E317 IonicContact NH2-OE1 3.34Å; R309-E317 PolarHBondContact NH2-OE1 3.29Å; R309-E317 IonicContact NH2-OE2 3.99Å; E313-E317 WeakPolarHBondContact O-CB 3.46Å; E313-E317 PolarHBondContact O-N 2.88Å; E317-A320 PolarHBondContact O-N 3.18Å; E317-F321 WeakPolarHBondContact O-CB 3.48Å; E317-F321 PolarHBondContact O-N 3.28Å |
| 318 | T | 56 | Low | 53.2 | Low | 77 Ų | 77 | 126.9 Ų | 126.9 | 47% | 0.472 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.4 | -45.9 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | A314 I315 M316 A320 F321 W322 | A314-T318 WeakPolarHBondContact O-CB 3.48Å; A314-T318 PolarHBondContact O-N 2.8Å; A314-T318 PolarHBondContact O-OG1 2.74Å; I315-T318 CarbonylContact O-C 3.58Å; I315-T318 WeakPolarHBondContact O-CA 3.34Å; I315-T318 WeakPolarHBondContact O-CB 3.49Å; I315-T318 PolarHBondContact O-N 3.43Å; I315-T318 VanDerWaalsContact O-N 3.16Å; M316-T318 VanDerWaalsContact C-N 3.31Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3.34Å; T318-F321 PolarHBondContact O-N 2.97Å; T318-W322 PolarHBondContact O-N 3.3Å |
| 319 | Y | 56.7 | Low | 52.9 | Low | 174 Ų | 174 | 125.2 Ų | 125.2 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.5 | -30.9 | 175.9 | -93.3 | -87.5 | 0 | 0 | 0 | 113.2 | I315 M316 | I315-Y319 HydrophobicContact CG2-CD2 3.75Å; I315-Y319 HydrophobicContact CG2-CE2 3.89Å; I315-Y319 WeakPolarHBondContact O-CD2 3.38Å; I315-Y319 PolarHBondContact O-N 3.41Å; M316-Y319 PolarHBondContact O-N 3.45Å |
| 320 | A | 58.6 | Low | 52.9 | Low | 67 Ų | 67 | 122.1 Ų | 122.1 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.6 | -39.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M316 E317 T318 W322 R323 | M316-A320 WeakPolarHBondContact O-CB 3.1Å; M316-A320 PolarHBondContact O-N 3.35Å; E317-A320 PolarHBondContact O-N 3.18Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3.34Å; A320-W322 VanDerWaalsContact C-N 3.25Å; A320-W322 PolarHBondContact O-N 3.29Å; A320-R323 PolarHBondContact O-N 3.4Å |
| 321 | F | 55.8 | Low | 52.2 | Low | 187 Ų | 187 | 126.5 Ų | 126.5 | 82% | 0.82 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.9 | -22.4 | -179.5 | -142.3 | -87.5 | 0 | 0 | 0 | 114 | E317 T318 | E317-F321 WeakPolarHBondContact O-CB 3.48Å; E317-F321 PolarHBondContact O-N 3.28Å; T318-F321 PolarHBondContact O-N 2.97Å |
| 322 | W | 53.6 | Low | 52 | Low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 0.7 | 177.4 | -70.9 | 110 | 0 | 0 | 0 | 114.6 | T318 A320 | T318-W322 PolarHBondContact O-N 3.3Å; A320-W322 VanDerWaalsContact C-N 3.25Å; A320-W322 PolarHBondContact O-N 3.29Å |
| 323 | R | 50.1 | Low | 51.2 | Low | 193 Ų | 193 | 129 Ų | 129 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -85.7 | 132.4 | 170.5 | -82.4 | -168.2 | 173 | -173.4 | -0.7 | 110.8 | A320 | A320-R323 PolarHBondContact O-N 3.4Š|
| 324 | P | 42.3 | Very low | 50.5 | Low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | trans | -55.7 | 146.5 | 158.4 | -21.1 | 33 | 0 | 0 | 0 | 110.1 | V326 | P324-V326 PolarHBondContact O-N 3.24Š| ||
| 325 | P | 47.7 | Very low | 50.2 | Low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 67% | 0.671 | S | S | * | * | trans | -68.7 | 93.2 | 176.9 | 28.4 | -34.1 | 0 | 0 | 0 | 109.9 | R327 | P325-R327 PolarHBondContact O-N 3.1Å; P325-R327 VanDerWaalsContact O-N 3.17Å | ||
| 326 | V | 48.1 | Very low | 49.1 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | trans | -61.9 | 116.3 | 168.6 | -173.1 | 0 | 0 | 0 | 0 | 106.9 | P324 T328 | P324-V326 PolarHBondContact O-N 3.24Å; V326-T328 PolarHBondContact O-N 3.35Å | ||
| 327 | R | 46.3 | Very low | 48.1 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | trans | -59.1 | 123.4 | 173.4 | -76.6 | -173.8 | 169.7 | 111 | -3.1 | 108.5 | P325 L329 | P325-R327 PolarHBondContact O-N 3.1Å; P325-R327 VanDerWaalsContact O-N 3.17Å; R327-L329 PolarHBondContact O-N 2.81Å | ||
| 328 | T | 43.9 | Very low | 47.7 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -66.4 | 98.2 | 166.4 | -49.8 | 0 | 0 | 0 | 0 | 107.5 | V326 T330 | V326-T328 PolarHBondContact O-N 3.35Å; T328-T330 PolarHBondContact O-N 3.46Å; T328-T330 VanDerWaalsContact O-N 3.13Å | ||
| 329 | L | 43.3 | Very low | 46.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 67% | 0.665 | 73% | 0.727 | S | S | * | * | trans | -62.4 | 113.3 | 170.7 | -65.1 | 175.1 | 0 | 0 | 0 | 107.8 | R327 D333 | R327-L329 PolarHBondContact O-N 2.81Å; L329-D333 WeakPolarHBondContact CD2-OD2 3.35Å | ||
| 330 | T | 51.8 | Low | 46.1 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 47% | 0.472 | 74% | 0.738 | S | S | . | * | trans | -83.1 | 161.8 | 171.9 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | T328 E332 D333 | T328-T330 PolarHBondContact O-N 3.46Å; T328-T330 VanDerWaalsContact O-N 3.13Å; T330-E332 PolarHBondContact O-N 3.11Å; T330-D333 PolarHBondContact O-N 2.91Å | ||
| 331 | F | 39.8 | Very low | 44.9 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -63.8 | -13.6 | -172.8 | -166.7 | -103.7 | 0 | 0 | 0 | 114.1 | ||
| 332 | E | 48.4 | Very low | 43.7 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -75.5 | -29.1 | -176.5 | -61.4 | 179 | 129.6 | 0 | 0 | 113.3 | T330 F334 T335 | T330-E332 PolarHBondContact O-N 3.11Å; E332-F334 PolarHBondContact O-N 2.69Å; E332-T335 PolarHBondContact O-N 3.08Å; E332-T335 PolarHBondContact O-OG1 3.11Å |
| 333 | D | 40.5 | Very low | 42.6 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 51% | 0.508 | 75% | 0.751 | S | S | . | * | G | 310 helix | trans | -60.3 | -19.7 | -178.6 | -85.8 | -32.9 | 0 | 0 | 0 | 113.6 | L329 T330 T335 | L329-D333 WeakPolarHBondContact CD2-OD2 3.35Å; T330-D333 PolarHBondContact O-N 2.91Å; D333-T335 VanDerWaalsContact C-N 3.33Å |
| 334 | F | 41.3 | Very low | 41.9 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -76.4 | -15.2 | 176.3 | -76.7 | -81 | 0 | 0 | 0 | 114.1 | E332 | E332-F334 PolarHBondContact O-N 2.69Š|
| 335 | T | 47.2 | Very low | 41.5 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -84.1 | -24.1 | -174.5 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | E332 D333 M337 | E332-T335 PolarHBondContact O-N 3.08Å; E332-T335 PolarHBondContact O-OG1 3.11Å; D333-T335 VanDerWaalsContact C-N 3.33Å; T335-M337 VanDerWaalsContact C-N 3.28Å; T335-M337 PolarHBondContact O-N 2.8Å |
| 336 | T | 41.9 | Very low | 40.8 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 0.7 | -168.2 | -24.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 337 | M | 41.5 | Very low | 40.2 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 84% | 0.837 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 1.1 | -177.4 | -79.2 | -102.8 | 58.7 | 0 | 0 | 114.8 | T335 | T335-M337 VanDerWaalsContact C-N 3.28Å; T335-M337 PolarHBondContact O-N 2.8Å |
| 338 | Q | 46.5 | Very low | 39.7 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -136.2 | 52.5 | -170.4 | -152.9 | -175.7 | 11.9 | 0 | 0 | 116.7 | ||
| 339 | K | 38.8 | Very low | 40.2 | Very low | 193 Ų | 193 | 132.2 Ų | 132.2 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -156 | 92.5 | 151.2 | -138.7 | 172.3 | -175.6 | 179.1 | 0 | 116.3 | ||||
| 340 | Q | 41.1 | Very low | 40 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -105.5 | 90.4 | 153.5 | -77.6 | -171 | -9.9 | 0 | 0 | 109.7 | ||||
| 341 | Q | 32.5 | Very low | 39.3 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -165.6 | 113.5 | 161.4 | -149.1 | 94.1 | 57.5 | 0 | 0 | 112.3 | ||||
| 342 | G | 30.9 | Very low | 39.1 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 67 | 157 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 343 | G | 31.3 | Very low | 38.7 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | cis | 165.9 | 120.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 344 | S | 34 | Very low | 38.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 58.6 | 142.8 | 151.4 | -146.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 345 | T | 34.9 | Very low | 38.1 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | 60.9 | 149.7 | 167.7 | 58.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 346 | G | 31.7 | Very low | 37.8 | Very low | 59 Ų | 59 | 127.3 Ų | 127.3 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 172.7 | 164.6 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 347 | T | 36.8 | Very low | 38 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | 58.5 | 123.6 | 159.8 | 50.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 348 | S | 36.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -55.1 | -177.1 | 153.9 | -22.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 349 | P | 54 | Low | 37.8 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | cis | -159.3 | 157.2 | 43.2 | 46.1 | -23.2 | 0 | 0 | 0 | 122.3 | ||||
| 350 | T | 37.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 118 Ų | 118 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 63.7 | 158.6 | 133.7 | 58.4 | 0 | 0 | 0 | 0 | 126 | ||||
| 351 | T | 38.1 | Very low | 37.2 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 79.1 | 129.4 | 166.1 | 70.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 352 | S | 36.2 | Very low | 37.2 | Very low | 103 Ų | 103 | 110.9 Ų | 110.9 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | cis | 77.9 | 124.8 | 28.8 | 81.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 353 | S | 38.4 | Very low | 37.5 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -159.1 | -153.7 | -5.7 | 43.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 354 | T | 37.2 | Very low | 37.8 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | cis | -167 | 155.5 | 15.8 | -27.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 355 | G | 33.9 | Very low | 38.1 | Very low | 76 Ų | 76 | 120.2 Ų | 120.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 149.4 | 122.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 356 | T | 40.2 | Very low | 38.3 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -103.1 | 169 | 168.7 | 36.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 357 | P | 46.4 | Very low | 38.7 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | cis | -134.5 | 173.7 | 21.6 | 42.4 | -24.9 | 0 | 0 | 0 | 117.7 | ||||
| 358 | S | 34.1 | Very low | 38.9 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -76.3 | 166.1 | 171.9 | -39.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 359 | P | 49.2 | Very low | 38.8 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | -142.2 | 161.5 | 82.5 | 39.3 | -24.8 | 0 | 0 | 0 | 116.5 | |||||
| 360 | S | 32.3 | Very low | 37.8 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 54.7 | 91.6 | 149.9 | -57.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 361 | A | 34.8 | Very low | 38.1 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -162.1 | 125.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 362 | S | 33.2 | Very low | 38.3 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -85.6 | 165.1 | 160 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 363 | S | 37.2 | Very low | 38.7 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | cis | -148.8 | 166.1 | 11.8 | 44.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 364 | H | 36.6 | Very low | 38.6 | Very low | 183 Ų | 183 | 123.5 Ų | 123.5 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 141.3 | 177.4 | -78.4 | -101.8 | 0 | 0 | 0 | 113.4 | ||||
| 365 | L | 40.8 | Very low | 38.4 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 126.4 | 149.5 | -66.1 | 169.1 | 0 | 0 | 0 | 108.9 | ||||
| 366 | L | 40.3 | Very low | 38.3 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -176.8 | 111.9 | 146.8 | -104.3 | 168.9 | 0 | 0 | 0 | 109.7 | ||||
| 367 | S | 38.1 | Very low | 37.8 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 123.4 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 368 | P | 43 | Very low | 37.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 128 | 169.7 | 30.3 | -32.5 | 0 | 0 | 0 | 110.7 | ||
| 369 | S | 32.4 | Very low | 37.4 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 119.1 | 172.7 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 370 | C | 33.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 86% | 0.858 | 82% | 0.816 | S | S | * | * | trans | -113.1 | 103.5 | 172.1 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 371 | S | 44.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 152.2 | 168.3 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 372 | P | 40.9 | Very low | 36.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 149 | -178.9 | 30.3 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 373 | P | 46 | Very low | 36.3 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 137.9 | 177.1 | 29.9 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 374 | T | 35.3 | Very low | 36.2 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -111 | 125 | 170.6 | -64.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 375 | F | 33.9 | Very low | 35.8 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -79.6 | 125.9 | 175.9 | -74.1 | -93.6 | 0 | 0 | 0 | 110.6 | ||||
| 376 | H | 30.7 | Very low | 35.2 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -99.5 | 128.9 | 168.1 | -78.2 | -95.5 | 0 | 0 | 0 | 110.3 | ||||
| 377 | L | 31.1 | Very low | 34.7 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -107.4 | 128.3 | 164.9 | -71.2 | 171.3 | 0 | 0 | 0 | 108.3 | ||||
| 378 | A | 33.4 | Very low | 34.3 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -97.3 | 132.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 379 | P | 37.2 | Very low | 33.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -80.5 | 136.3 | 170.2 | 32.8 | -31.9 | 0 | 0 | 0 | 110.1 | ||||
| 380 | N | 34 | Very low | 33.7 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -113.6 | 131 | 175.9 | -125.1 | 1.8 | 0 | 0 | 0 | 110.3 | ||||
| 381 | T | 33 | Very low | 33.7 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -98.6 | 151.3 | -176.3 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 382 | F | 31.5 | Very low | 33 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -53.1 | 139.9 | 172.7 | -104.7 | -112.6 | 0 | 0 | 0 | 113.4 | ||||
| 383 | N | 29.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -153.6 | 170.2 | 133.8 | -145.9 | -13.3 | 0 | 0 | 0 | 112 | ||||
| 384 | V | 33.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 75% | 0.745 | 84% | 0.835 | S | S | * | * | trans | -98.2 | 150.4 | -160.6 | 178.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 385 | G | 28.5 | Very low | 31.6 | Very low | 75 Ų | 75 | 154.1 Ų | 154.1 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -177.3 | 103.6 | 165 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 386 | C | 28.4 | Very low | 31.5 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | -90.2 | 144.2 | -178 | -57 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 387 | R | 30.2 | Very low | 31.7 | Very low | 259 Ų | 259 | 149 Ų | 149 | 98% | 0.977 | 83% | 0.833 | S | S | * | * | trans | -149.3 | 174 | 143 | -129.5 | -175.1 | -179.6 | -147.1 | -3.1 | 111.1 | ||||
| 388 | E | 30.2 | Very low | 31.6 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -139.8 | 159.3 | -139.2 | -174.1 | 178.6 | 168.9 | 0 | 0 | 113.4 | ||||
| 389 | S | 29.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 153.1 Ų | 153.1 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | 75.7 | 148.4 | 168.8 | 85.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 390 | Q | 32.7 | Very low | 31.8 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | cis | -135.1 | 147.8 | 7.2 | -71.8 | 179.2 | -25 | 0 | 0 | 113.8 | ||||
| 391 | L | 32.6 | Very low | 32.2 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | 8.3 | 130.8 | 150.8 | -58.8 | 168.7 | 0 | 0 | 0 | 121.4 | ||||
| 392 | C | 31.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 90% | 0.899 | 83% | 0.825 | S | S | * | * | -167.3 | 155 | 115.7 | -114.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 393 | N | 30.3 | Very low | 32.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -94.2 | 141 | 179.8 | -74.6 | -60.6 | 0 | 0 | 0 | 112.2 | ||||
| 394 | L | 32.9 | Very low | 32.5 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | 172.3 | 155.5 | 111.4 | -91.6 | 168.6 | 0 | 0 | 0 | 111.8 | |||||
| 395 | N | 29.4 | Very low | 32.6 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -80.6 | 140.8 | 176.2 | -72.6 | -43.9 | 0 | 0 | 0 | 112 | ||||
| 396 | L | 31.6 | Very low | 32.9 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | -148.5 | 125.9 | 128.6 | -167.3 | 61.5 | 0 | 0 | 0 | 109.1 | |||||
| 397 | S | 33.9 | Very low | 33.1 | Very low | 92 Ų | 92 | 155.9 Ų | 155.9 | 64% | 0.643 | 83% | 0.831 | S | S | * | * | trans | -117.2 | 132.8 | -176.7 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 398 | D | 29.9 | Very low | 33.3 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -151.8 | 132.3 | 151.4 | -109.7 | -36.5 | 0 | 0 | 0 | 113.3 | ||||
| 399 | Y | 32.3 | Very low | 33.4 | Very low | 208 Ų | 208 | 144.5 Ų | 144.5 | 82% | 0.816 | 82% | 0.822 | S | S | * | * | trans | 31.6 | 126.5 | 172.1 | -79.4 | -86.8 | 0 | 0 | 0 | 124.8 | ||||
| 400 | P | 41.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | trans | -89 | 166.7 | 162.8 | 38.1 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 401 | P | 42.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 149 Ų | 149 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -77 | 155.8 | 179.8 | 32.5 | -37.1 | 0 | 0 | 0 | 113.5 | ||||
| 402 | C | 31.6 | Very low | 33.4 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | trans | -124.8 | 141.5 | 176.7 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 403 | A | 34.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -151.3 | 123.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 404 | R | 35.7 | Very low | 34.3 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | 176.6 | 138.6 | 145.6 | -103.7 | 165.4 | 176.6 | -172.6 | -1.7 | 114.9 | ||||
| 405 | S | 34.3 | Very low | 34.3 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | 36.4 | 121.3 | 131 | -52.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 406 | N | 34.7 | Very low | 34.9 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | 26.4 | 116.2 | 127.9 | -69 | -17.5 | 0 | 0 | 0 | 119.8 | |||||
| 407 | M | 33.8 | Very low | 35.1 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | trans | -149.8 | 157.4 | 132.6 | -112.3 | -63.4 | -169.9 | 0 | 0 | 109 | ||||
| 408 | A | 34.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -118 | 133.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 409 | A | 31.3 | Very low | 35.2 | Very low | 102 Ų | 102 | 143 Ų | 143 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -157.7 | 147.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 410 | L | 34.3 | Very low | 35.3 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -61.5 | 140.9 | 173.3 | -65 | 146.3 | 0 | 0 | 0 | 111.7 | ||||
| 411 | Q | 31.2 | Very low | 34.9 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | trans | -138.7 | 132.8 | 149.1 | -75.1 | -160.5 | -20.6 | 0 | 0 | 111.6 | ||||
| 412 | S | 29.7 | Very low | 34.6 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -91.6 | 158.8 | 169.1 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 413 | Y | 38.9 | Very low | 34.6 | Very low | 228 Ų | 228 | 148.8 Ų | 148.8 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -53.2 | 150.3 | 173.5 | -78.5 | -90.4 | 0 | 0 | 0 | 113.8 | ||||
| 414 | P | 42.8 | Very low | 34.7 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | -123 | 148.8 | 128.6 | 35.8 | -29.9 | 0 | 0 | 0 | 112.3 | |||||
| 415 | G | 31.6 | Very low | 34.5 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -110.1 | 166.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 416 | L | 42.4 | Very low | 34.3 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -109.8 | 144 | -173.6 | -71.3 | 170.5 | 0 | 0 | 0 | 114.1 | ||||
| 417 | S | 35.3 | Very low | 34.1 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -69.6 | 165.7 | 164.1 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 418 | D | 34.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | cis | -174.5 | 176.8 | -12.1 | 168.3 | 56.5 | 0 | 0 | 0 | 108.4 | ||||
| 419 | S | 32.2 | Very low | 33.8 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | 75.2 | 135.4 | 163.3 | -72.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 420 | G | 34.6 | Very low | 33.8 | Very low | 59 Ų | 59 | 143.6 Ų | 143.6 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | cis | 127 | 113.6 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 421 | Y | 32.2 | Very low | 33.7 | Very low | 244 Ų | 244 | 139.8 Ų | 139.8 | 96% | 0.957 | 81% | 0.814 | S | S | * | * | trans | -154.7 | 160.4 | 164.8 | -87.8 | -61.3 | 0 | 0 | 0 | 113.1 | ||||
| 422 | N | 35.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -108.5 | 155.8 | -167.9 | -77.6 | -78.7 | 0 | 0 | 0 | 114.9 | ||||
| 423 | R | 32 | Very low | 34.4 | Very low | 241 Ų | 241 | 140.4 Ų | 140.4 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -155.1 | 156.4 | 143.1 | -133.7 | 174 | -157.8 | -91.5 | -1.9 | 113.3 | ||||
| 424 | L | 36.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -138.2 | 176.5 | -174.7 | -81.9 | 168 | 0 | 0 | 0 | 111.7 | ||||
| 425 | Q | 30.9 | Very low | 34.1 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | 89 | 100 | 162.9 | -64.8 | -179.8 | -35.5 | 0 | 0 | 120.4 | ||||
| 426 | S | 31.4 | Very low | 34 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | 24.5 | 135.9 | 115.9 | -42.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 427 | G | 29.5 | Very low | 33.5 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 154.9 | 95.5 | 148 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 428 | T | 30.2 | Very low | 33.3 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | 43.4 | 129.8 | 142.2 | 53.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 429 | A | 31.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 69.5 | 148.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 430 | S | 31.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | cis | -166.8 | 145.6 | -13.6 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 431 | A | 32.6 | Very low | 33.9 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 61.3 | 118.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 432 | T | 34.7 | Very low | 34.1 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 93% | 0.933 | 81% | 0.808 | S | S | * | * | -150.8 | 161.6 | 123.2 | -3.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 433 | Q | 39.5 | Very low | 34.1 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -87.6 | 172.5 | -178.1 | -83.2 | -91.3 | -13.2 | 0 | 0 | 111.7 | ||||
| 434 | P | 44.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -139.5 | 162.9 | 24.7 | 43.3 | -24.7 | 0 | 0 | 0 | 120.7 | ||||
| 435 | S | 30.7 | Very low | 35 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | 28.6 | 125.4 | 149.1 | 60.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 436 | E | 30.9 | Very low | 35.2 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | -148.9 | 136.6 | 63.5 | -70.2 | -160.3 | 109.1 | 0 | 0 | 116.4 | |||||
| 437 | T | 30.8 | Very low | 35.4 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 12.1 | 131.5 | 130.4 | -50.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 438 | F | 30.8 | Very low | 35.5 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | cis | -158.6 | 173.4 | -6.1 | -143.6 | -108 | 0 | 0 | 0 | 111.2 | ||||
| 439 | M | 35.8 | Very low | 35.6 | Very low | 166 Ų | 166 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -99 | 159 | -176.9 | -81 | -77.7 | 176.9 | 0 | 0 | 114.7 | ||||
| 440 | P | 48.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -81.2 | 158.7 | 177.8 | 34.1 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 441 | Q | 31.1 | Very low | 37.1 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -141.5 | 172.8 | 177.2 | -94.7 | -62.8 | -4.7 | 0 | 0 | 114.4 | ||||
| 442 | R | 36.8 | Very low | 37.5 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -106.8 | 149.7 | -160.5 | -81.5 | -174.4 | 178 | -176.4 | 1 | 116.8 | ||||
| 443 | T | 36 | Very low | 39 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 73.7 | -178.8 | 145.1 | 60.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 444 | P | 53.8 | Low | 40.2 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | -137.1 | -178.7 | -96.4 | 39.8 | -19.4 | 0 | 0 | 0 | 117.2 | |||||
| 445 | S | 33 | Very low | 39.8 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 121.8 | 123.7 | 147 | -48.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 446 | L | 34.9 | Very low | 40.2 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | 31.6 | 122.5 | 140.5 | -56.6 | 172.3 | 0 | 0 | 0 | 123.5 | ||||
| 447 | I | 35 | Very low | 41.6 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | -165.7 | 176.4 | 124.1 | -137.8 | 66.7 | 0 | 0 | 0 | 112.1 | |||||
| 448 | S | 33.6 | Very low | 42 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -153.4 | 158.7 | -171 | -174.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 449 | G | 31.4 | Very low | 42 | Very low | 60 Ų | 60 | 133.4 Ų | 133.4 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | trans | 153.7 | 116.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 450 | I | 34.9 | Very low | 42.1 | Very low | 159 Ų | 159 | 130 Ų | 130 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | 82.1 | 140.7 | 67.9 | -71.3 | 170 | 0 | 0 | 0 | 112.1 | |||||
| 451 | P | 60.5 | Low | 41.3 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -133.1 | 145.4 | 17.3 | 24.5 | 1.5 | 0 | 0 | 0 | 119 | ||||
| 452 | T | 41 | Very low | 41.5 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 77.5 | 169.3 | 105.2 | 74.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 453 | P | 65.3 | Low | 41.2 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | cis | -135.8 | -157 | -39.5 | 32.8 | -10.1 | 0 | 0 | 0 | 113.3 | ||||
| 454 | P | 65.4 | Low | 41 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | -133.6 | 165.6 | -52.8 | 35.1 | -18.2 | 0 | 0 | 0 | 116.6 | |||||
| 455 | S | 35.2 | Very low | 39.9 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 156.2 | 176.4 | 130.8 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 456 | L | 39.2 | Very low | 39.7 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -159.7 | -176.9 | -145.4 | -91.9 | 171 | 0 | 0 | 0 | 112.3 | ||||
| 457 | P | 61.6 | Low | 39.5 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | cis | -140.1 | -178.9 | -15.2 | 33 | -11 | 0 | 0 | 0 | 118.1 | ||||
| 458 | S | 37.6 | Very low | 39.5 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 86.3 | 150.8 | 149.6 | 83.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 459 | N | 31.6 | Very low | 39.4 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | cis | -146.3 | 158.7 | 10.2 | -157.8 | -6.1 | 0 | 0 | 0 | 114.8 | ||||
| 460 | S | 37.8 | Very low | 39.3 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -29.5 | 172.7 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 461 | K | 31.7 | Very low | 39 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | cis | -160.7 | 162.9 | 11.8 | -139.2 | 170.5 | 151.9 | -70.1 | 0 | 109 | E463 | K461-E463 WeakPolarHBondContact CE-OE1 3.14Å; K461-E463 WeakPolarHBondContact CG-OE1 3.49Å; K461-E463 IonicContact NZ-OE1 2.73Å; K461-E463 PolarHBondContact NZ-OE1 2.95Å; K461-E463 IonicContact NZ-OE2 2.76Å; K461-E463 PolarHBondContact NZ-OE2 3.09Å | ||
| 462 | M | 34.7 | Very low | 37.6 | Very low | 155 Ų | 155 | 132 Ų | 132 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | cis | 82.7 | 143.5 | 15.3 | -61.1 | 180 | 65.1 | 0 | 0 | 116.8 | ||||
| 463 | E | 31.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | cis | -117.4 | -117.7 | 15.9 | -66.3 | 70.4 | -117.1 | 0 | 0 | 116 | K461 | K461-E463 WeakPolarHBondContact CE-OE1 3.14Å; K461-E463 WeakPolarHBondContact CG-OE1 3.49Å; K461-E463 IonicContact NZ-OE1 2.73Å; K461-E463 PolarHBondContact NZ-OE1 2.95Å; K461-E463 IonicContact NZ-OE2 2.76Å; K461-E463 PolarHBondContact NZ-OE2 3.09Å | ||
| 464 | A | 32.3 | Very low | 36.4 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | -163.4 | -160.7 | -158.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 465 | Y | 30.7 | Very low | 34.9 | Very low | 233 Ų | 233 | 130.4 Ų | 130.4 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | 87 | 146.9 | 174.9 | -59.8 | -83.1 | 0 | 0 | 0 | 119.1 | ||||
| 466 | G | 28.8 | Very low | 34.9 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | 139.1 | 129.3 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 467 | G | 29.7 | Very low | 34.7 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | 147.1 | 151.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 468 | Q | 36.1 | Very low | 33.3 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -108 | 152 | 174.1 | -61.2 | 162.4 | -94.3 | 0 | 0 | 110.6 | ||||
| 469 | L | 30.4 | Very low | 33.3 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | 166.8 | 144.3 | 131.5 | -92.7 | 162.7 | 0 | 0 | 0 | 113.9 | ||||
| 470 | G | 29.2 | Very low | 33.6 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | trans | 82.5 | 110.6 | 130.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 471 | S | 29.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | trans | 80.5 | 146.7 | 134.9 | -59.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 472 | F | 32 | Very low | 33.6 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -73.5 | 179.9 | 165.7 | -66.7 | -81.5 | 0 | 0 | 0 | 111.9 | ||||
| 473 | P | 50.3 | Low | 33.6 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | cis | -145.9 | -143.8 | 20.7 | 44.7 | -21.5 | 0 | 0 | 0 | 116.1 | ||||
| 474 | T | 30.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | 83.3 | 90.3 | 169.5 | -51.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 475 | S | 33.4 | Very low | 33.7 | Very low | 87 Ų | 87 | 137 Ų | 137 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | 74.8 | 113.2 | 70 | 75.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 476 | Q | 34.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | 64.3 | 110.5 | 68.5 | -79.5 | -76.4 | 4.6 | 0 | 0 | 114.6 | |||||
| 477 | F | 34.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | trans | -177 | 147 | 157.2 | -89.8 | -43.1 | 0 | 0 | 0 | 109.7 | ||||
| 478 | Q | 33.6 | Very low | 34 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 62% | 0.621 | 76% | 0.76 | S | S | * | * | cis | -159.3 | 118.1 | -6.4 | -174.1 | 145.3 | 20.7 | 0 | 0 | 114.1 | ||||
| 479 | Y | 37.6 | Very low | 33.7 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | 67.9 | 167.1 | 138.9 | -80.5 | -146.5 | 0 | 0 | 0 | 121.4 | ||||
| 480 | V | 37.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | cis | 179.6 | 165.4 | -33.5 | 89.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 481 | M | 35.2 | Very low | 33.7 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 70% | 0.704 | 75% | 0.747 | S | S | * | * | cis | -129.3 | -141.6 | 13.5 | -139.3 | -167.7 | -58.6 | 0 | 0 | 110.9 | ||||
| 482 | Q | 33.4 | Very low | 33.8 | Very low | 154 Ų | 154 | 126 Ų | 126 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | cis | -148.1 | 156.3 | 13.1 | -172.5 | 65.4 | 43.6 | 0 | 0 | 110.4 | ||||
| 483 | A | 36 | Very low | 34.8 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -80.5 | 162.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 484 | G | 31.2 | Very low | 33.9 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | cis | 144.9 | 166.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 485 | N | 34.8 | Very low | 33.8 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | 63.6 | 159 | 168.5 | -65.8 | 0.4 | 0 | 0 | 0 | 117.6 | ||||
| 486 | A | 32.4 | Very low | 33.8 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | cis | -147.9 | 162.3 | 10.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 487 | A | 30.9 | Very low | 33.4 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 63.6 | 149.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 488 | S | 31.2 | Very low | 33 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -163.2 | 165.5 | -19.9 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 489 | S | 29.1 | Very low | 32.8 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -28.5 | 154.3 | 159.2 | 50.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 490 | S | 30.2 | Very low | 32.7 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | 179.5 | -172.1 | -6.1 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 491 | S | 29.7 | Very low | 32.5 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 69.3 | 132.8 | 154.7 | 40.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 492 | S | 30.7 | Very low | 32.4 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -89.3 | -165.2 | 164 | -21.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 493 | P | 53.5 | Low | 32.2 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | cis | -136.5 | -172.1 | -25.1 | 27.6 | -3.6 | 0 | 0 | 0 | 114.2 | ||||
| 494 | H | 31.2 | Very low | 32 | Very low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | trans | 79.6 | 130.1 | 150.5 | -68.5 | -52.3 | 0 | 0 | 0 | 124.8 | ||||
| 495 | M | 29.7 | Very low | 32 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | 94.4 | 134.9 | 128.8 | -91.1 | -174 | 155.9 | 0 | 0 | 124.9 | |||||
| 496 | F | 32.3 | Very low | 31.9 | Very low | 189 Ų | 189 | 122.1 Ų | 122.1 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | 56.9 | 151.1 | 161.6 | -66.2 | -64.8 | 0 | 0 | 0 | 119.8 | ||||
| 497 | G | 27 | Very low | 31.9 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | 168.9 | 158.2 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 498 | G | 26.8 | Very low | 31.8 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | 85.2 | 159.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 499 | S | 29.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | cis | -164.1 | 159 | -8.6 | 58.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 500 | H | 34 | Very low | 31.9 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 63.9 | 151.2 | 156.9 | -93.9 | -129.8 | 0 | 0 | 0 | 119.8 | ||||
| 501 | M | 33.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | cis | -163 | 141.3 | -12.5 | -152.9 | -172.4 | -178.1 | 0 | 0 | 112 | ||||
| 502 | Q | 33.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 50.5 | 168.6 | 150.2 | -80.7 | -173.4 | 5.4 | 0 | 0 | 120.3 | ||||
| 503 | Q | 29.7 | Very low | 31.9 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | cis | -150.9 | 152.1 | 14.2 | -142.3 | 162.4 | 57.8 | 0 | 0 | 113.1 | ||||
| 504 | S | 30.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | 3.4 | 164.6 | 139.7 | -47.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 505 | S | 32.8 | Very low | 31.5 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 57% | 0.573 | 74% | 0.741 | S | S | * | * | cis | -179.8 | -179.9 | -15.7 | -87.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 506 | Y | 31.3 | Very low | 31.6 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | trans | 82 | 128.2 | 160.2 | -55.4 | -57.2 | 0 | 0 | 0 | 116.9 | ||||
| 507 | N | 32.2 | Very low | 31.7 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | 75.3 | 140.7 | 62.4 | -76.7 | -7.1 | 0 | 0 | 0 | 113.8 | |||||
| 508 | A | 29.6 | Very low | 32.1 | Very low | 65 Ų | 65 | 143 Ų | 143 | 54% | 0.537 | 75% | 0.751 | S | S | . | * | cis | -171.8 | -169.4 | -11.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 509 | F | 29.4 | Very low | 32.3 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | 86.3 | 90 | 159.5 | -55.4 | -69.4 | 0 | 0 | 0 | 121.9 | ||||
| 510 | S | 33.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | 30.4 | 131.2 | 113.4 | -162.1 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 511 | L | 30.3 | Very low | 32.4 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 95% | 0.948 | 75% | 0.754 | S | S | * | * | trans | -144.3 | 157.4 | 144.7 | -98.1 | 176.4 | 0 | 0 | 0 | 109.9 | ||||
| 512 | H | 33.6 | Very low | 32.3 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -140.1 | 136.5 | -169.2 | -172 | -73.2 | 0 | 0 | 0 | 111.3 | ||||
| 513 | N | 27.3 | Very low | 32.6 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -158.4 | 155.3 | 162.3 | -130.6 | 13.7 | 0 | 0 | 0 | 112.7 | ||||
| 514 | P | 44.5 | Very low | 32.9 | Very low | 84 Ų | 84 | 149 Ų | 149 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | trans | -109.5 | -179.7 | -164.7 | 40.9 | -35.6 | 0 | 0 | 0 | 116.8 | ||||
| 515 | Y | 30.5 | Very low | 32.9 | Very low | 206 Ų | 206 | 149.6 Ų | 149.6 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 71.1 | 104.1 | 167.6 | -66.8 | -71.5 | 0 | 0 | 0 | 120 | ||||
| 516 | N | 32.5 | Very low | 33.2 | Very low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | 178.7 | 122 | 125.1 | -91.1 | -47.1 | 0 | 0 | 0 | 108.5 | |||||
| 517 | L | 34.9 | Very low | 33.4 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | 63.6 | 112.8 | 86.2 | -93.8 | 79.6 | 0 | 0 | 0 | 116 | |||||
| 518 | Y | 34.7 | Very low | 33.5 | Very low | 234 Ų | 234 | 155.4 Ų | 155.4 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | 31.9 | 117.4 | 156.7 | -79.9 | -87.3 | 0 | 0 | 0 | 121 | ||||
| 519 | G | 30.9 | Very low | 33.5 | Very low | 66 Ų | 66 | 157.2 Ų | 157.2 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | 177.9 | 76.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N521 | G519-N521 PolarHBondContact O-N 2.65Š| ||
| 520 | Y | 32.6 | Very low | 33.6 | Very low | 232 Ų | 232 | 152.8 Ų | 152.8 | 91% | 0.91 | 82% | 0.821 | S | S | * | * | trans | -75.8 | 111.7 | 170.3 | -90.6 | -80.9 | 0 | 0 | 0 | 110.8 | ||||
| 521 | N | 32.2 | Very low | 33.4 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 136 | 172.3 | -81.5 | -73.3 | 0 | 0 | 0 | 111.4 | G519 | G519-N521 PolarHBondContact O-N 2.65Š|
| 522 | F | 32.5 | Very low | 34.1 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 130.9 | 172.4 | -74.5 | -95.6 | 0 | 0 | 0 | 110.7 | T524 | F522-T524 PolarHBondContact O-N 2.76Š|
| 523 | P | 39.1 | Very low | 34 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73 | 117.6 | 167.4 | 29.3 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 524 | T | 35.8 | Very low | 34.3 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70 | 143.3 | 174.4 | 43.7 | 0 | 0 | 0 | 0 | 111.5 | F522 | F522-T524 PolarHBondContact O-N 2.76Š|
| 525 | S | 31.5 | Very low | 33.8 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.6 | -177.9 | -47.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 526 | P | 39.2 | Very low | 33.7 | Very low | 131 Ų | 131 | 153.1 Ų | 153.1 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.9 | 176.5 | 28.8 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 527 | R | 35.7 | Very low | 33.7 | Very low | 242 Ų | 242 | 150.7 Ų | 150.7 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 154.1 | 166.4 | -75.9 | -172.5 | 176.6 | -176.4 | 0.4 | 110.6 | ||
| 528 | L | 33 | Very low | 33.6 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 95% | 0.953 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.4 | 176.3 | -61.5 | 164.9 | 0 | 0 | 0 | 111 | ||
| 529 | A | 30.6 | Very low | 33.5 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -101 | 147.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 530 | A | 31.2 | Very low | 33.5 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 166.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 531 | S | 28.6 | Very low | 33.4 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 149.1 | 178.3 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 532 | P | 44.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 166 | 173.8 | 30.7 | -36.8 | 0 | 0 | 0 | 113.7 | ||
| 533 | E | 33 | Very low | 33.4 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 164.9 | -166 | -53.3 | 169 | 114.1 | 0 | 0 | 114.8 | ||
| 534 | K | 33.3 | Very low | 32.8 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -148 | 149.5 | 141 | -140.9 | 173.1 | -175.1 | 179.3 | 0 | 111.8 | ||||
| 535 | L | 32.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -93.7 | 143.3 | -160.8 | -63.2 | 156.1 | 0 | 0 | 0 | 114.3 | ||||
| 536 | S | 30.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -153.1 | 159.9 | 134.8 | 69 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 537 | A | 32 | Very low | 32.7 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -136.3 | 145.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 538 | S | 33.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -150.8 | 147.1 | 160.1 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 539 | Q | 32 | Very low | 32.5 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -81.7 | 145.5 | -175.8 | -52.9 | 165.6 | 25.7 | 0 | 0 | 112.1 | ||||
| 540 | S | 30.2 | Very low | 32.5 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | 162.5 | 107.4 | 103.4 | -168 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 541 | T | 31.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 31.7 | 128.5 | 122.9 | 3.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 542 | L | 33.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | 109.6 | 117.3 | 144.5 | -61 | 167.9 | 0 | 0 | 0 | 119.9 | ||||
| 543 | L | 30.4 | Very low | 32.3 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | 31.2 | 143 | 117.8 | -52.9 | -175.9 | 0 | 0 | 0 | 119.4 | |||||
| 544 | C | 26.6 | Very low | 32.1 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | cis | -172.3 | 168.9 | -12.2 | -124.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 545 | S | 28.3 | Very low | 32 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 66.9 | 135.1 | 153.3 | -56.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 546 | S | 31.9 | Very low | 32 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -73.4 | 171.2 | 160 | -40.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 547 | P | 44.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | -139 | -161.8 | 106.8 | 39.8 | -28 | 0 | 0 | 0 | 114 | |||||
| 548 | S | 32.2 | Very low | 32.2 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -137.6 | 179.6 | -162 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 549 | N | 31.8 | Very low | 32.8 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 92.5 | 150.3 | 161.1 | -57.9 | 1.1 | 0 | 0 | 0 | 119.9 | ||||
| 550 | G | 30.5 | Very low | 32.8 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 85.3 | 117.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 551 | A | 34.8 | Very low | 32.9 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 90.3 | 121.8 | 12.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 552 | F | 32.2 | Very low | 33.1 | Very low | 218 Ų | 218 | 136 Ų | 136 | 96% | 0.956 | 79% | 0.785 | S | S | * | * | trans | 64.1 | 155.9 | -178 | -58.4 | -89.3 | 0 | 0 | 0 | 115.8 | ||||
| 553 | G | 33.8 | Very low | 33.2 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | 168.9 | 148.8 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 554 | E | 29.3 | Very low | 33.5 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 72 | 152.4 | 165 | -111 | -168.4 | 122 | 0 | 0 | 123.2 | ||||
| 555 | R | 31.1 | Very low | 33.9 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | 59.5 | 104.9 | 156.2 | -68.9 | -178.9 | -171.3 | -100.6 | -15.8 | 124 | ||||
| 556 | Q | 32.2 | Very low | 34.3 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 14.6 | 133.2 | 116.2 | -62.9 | 172 | -40.3 | 0 | 0 | 119.4 | |||||
| 557 | Y | 31.5 | Very low | 34.6 | Very low | 218 Ų | 218 | 139.1 Ų | 139.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | -165.5 | 153.2 | 104.1 | -112.2 | -82.4 | 0 | 0 | 0 | 111.3 | |||||
| 558 | L | 35.1 | Very low | 34.1 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -103.4 | 165.5 | 170.8 | -80.2 | 168.8 | 0 | 0 | 0 | 110.4 | ||||
| 559 | P | 45 | Very low | 34.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | -140.9 | 148.6 | 120.7 | 37.7 | -25.4 | 0 | 0 | 0 | 116.3 | |||||
| 560 | T | 32.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 139 Ų | 139 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | 13.4 | 146.6 | 149.3 | 55.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 561 | G | 32.7 | Very low | 34.8 | Very low | 65 Ų | 65 | 141.6 Ų | 141.6 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 153.6 | -165.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 562 | M | 35.7 | Very low | 34.8 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 73.2 | 151.2 | 173.3 | -58.9 | -173.7 | 158.3 | 0 | 0 | 117.2 | ||||
| 563 | E | 36.2 | Very low | 34.9 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | cis | -162.8 | 173.4 | -20 | -108.8 | -60 | 0.2 | 0 | 0 | 110.6 | ||||
| 564 | H | 36 | Very low | 34.8 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | 77.4 | 124.2 | 171.8 | -56.4 | 91.4 | 0 | 0 | 0 | 118 | ||||
| 565 | G | 34 | Very low | 35 | Very low | 58 Ų | 58 | 140.1 Ų | 140.1 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | cis | 165.7 | 148.9 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 566 | M | 37.5 | Very low | 35.2 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 67.7 | 141.3 | 155.7 | -45.1 | -52.9 | -89.8 | 0 | 0 | 118.5 | ||||
| 567 | H | 37.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 141 Ų | 141 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | -162 | 140.6 | -15.1 | -134.1 | -147.8 | 0 | 0 | 0 | 110.8 | ||||
| 568 | M | 35.3 | Very low | 35.2 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | 52 | 151 | 125.9 | -61.9 | -72.7 | -106.5 | 0 | 0 | 121.3 | |||||
| 569 | L | 33 | Very low | 35 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | cis | -141.5 | 166 | 33.8 | -78.2 | 163.6 | 0 | 0 | 0 | 114.8 | ||||
| 570 | S | 30.4 | Very low | 34.4 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -103.3 | -158.1 | 170.6 | -42.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 571 | P | 46.1 | Very low | 34.6 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | cis | -121.5 | -156.6 | 35.4 | 41.1 | -24.7 | 0 | 0 | 0 | 114.1 | ||||
| 572 | S | 33.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -148.6 | 162.8 | -161 | -51.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 573 | A | 35.6 | Very low | 34.5 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 75.6 | 137.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 574 | N | 30.2 | Very low | 34.2 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | -165 | 170.4 | 117 | -128 | -22.1 | 0 | 0 | 0 | 114.3 | |||||
| 575 | N | 35.1 | Very low | 34.4 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -155.3 | 127 | -177.5 | 175 | 26.6 | 0 | 0 | 0 | 112 | ||||
| 576 | Q | 34.1 | Very low | 34.6 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -172.5 | -179.7 | 162.8 | -114.5 | 150.3 | 108.2 | 0 | 0 | 115.6 | ||||
| 577 | Q | 32.6 | Very low | 34.5 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -123.5 | 158.2 | -161.5 | -53.1 | 159.6 | -64.9 | 0 | 0 | 113.6 | ||||
| 578 | A | 30.5 | Very low | 34.3 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 158.9 | 135 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 579 | T | 32.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | cis | 122.4 | 149.3 | 13.7 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 580 | N | 32.2 | Very low | 34.7 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 86.2 | 141.1 | -165.5 | -51.9 | -12.8 | 0 | 0 | 0 | 112.7 | ||||
| 581 | T | 35.7 | Very low | 36.2 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | 80.2 | 146.1 | 14.9 | 79.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 582 | C | 34.4 | Very low | 35.5 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | cis | -109.4 | -152.1 | 3.7 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 583 | D | 32.6 | Very low | 35.5 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | cis | -156.1 | -177.1 | -5 | -121.9 | -36.2 | 0 | 0 | 0 | 107.3 | ||||
| 584 | G | 30.5 | Very low | 35.6 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | -150.1 | -168.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 585 | R | 39.5 | Very low | 35.9 | Very low | 211 Ų | 211 | 127.4 Ų | 127.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -128.8 | 162.1 | -153.6 | -75.2 | -164.7 | -180 | -177.2 | -0.4 | 118.4 | ||||
| 586 | Q | 37.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 55% | 0.547 | 76% | 0.764 | S | S | . | * | trans | 71.3 | 152.3 | 150.1 | -77.6 | 155.1 | -135.1 | 0 | 0 | 116.8 | ||||
| 587 | Y | 36.6 | Very low | 36 | Very low | 214 Ų | 214 | 127.6 Ų | 127.6 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | cis | -143.6 | 174.4 | -0 | -90 | -60.3 | 0 | 0 | 0 | 108.8 | ||||
| 588 | G | 33.5 | Very low | 36.3 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | cis | 155 | 140.1 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 589 | A | 37.5 | Very low | 36.8 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | trans | 75 | 89.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 590 | V | 39.9 | Very low | 37.2 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | 69.6 | -178.7 | 134.3 | -126.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 591 | P | 60.5 | Low | 37.5 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | -124.3 | 178.1 | -113.4 | 44.8 | -28.4 | 0 | 0 | 0 | 118 | |||||
| 592 | G | 31.1 | Very low | 37.9 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -140.3 | 171.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 593 | S | 35.2 | Very low | 38.1 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -149.4 | 159 | -165 | -170.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 594 | S | 35.7 | Very low | 38.3 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 80.7 | 151.2 | 154.3 | 78.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 595 | S | 37.6 | Very low | 38.8 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 71.7 | 155.8 | 157 | -65.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 596 | Q | 38.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | cis | -167.7 | 170 | -40.3 | -144 | -169.4 | 48.6 | 0 | 0 | 109.6 | ||||
| 597 | M | 32.9 | Very low | 38.8 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 78.1 | 169.8 | 162 | -42.7 | -139.2 | 90.9 | 0 | 0 | 118.2 | ||||
| 598 | S | 39 | Very low | 39 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -129.3 | -171.3 | -160.7 | -41.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 599 | V | 40.3 | Very low | 39.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | trans | 115.2 | 140.3 | 151 | -177 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 600 | H | 40.6 | Very low | 39.5 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | 73 | 126.6 | 174.8 | -70.4 | -30.8 | 0 | 0 | 0 | 117 | ||||
| 601 | M | 37.8 | Very low | 39.5 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | 62.3 | 135.7 | 80.7 | -59.7 | -162.7 | -39.3 | 0 | 0 | 112.2 | |||||
| 602 | V | 44.6 | Very low | 37.6 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 100% | 1.315 | 81% | 0.811 | S | S | * | * | cis | -104.2 | 0 | 17.9 | 178.6 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 602 of 602 residues in 263.3 ms
(Link to these results)