| 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 | 30.1 | Very low | 28.6 | Very low | 245 Ų | 245 | 131 Ų | 131 | 100% | 1.207 | 85% | 0.849 | S | S | * | * | 0 | 161.2 | 0 | -78.7 | 169.5 | 162.4 | 0 | 0 | 108.8 | |||||
| 2 | N | 25.9 | Very low | 28.5 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 86% | 0.857 | S | S | * | * | trans | -54.3 | 162.2 | 167.6 | -75.8 | 0.3 | 0 | 0 | 0 | 111.6 | ||||
| 3 | S | 27.5 | Very low | 28.2 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 85% | 0.852 | S | S | * | * | cis | -174.1 | 170 | 2.9 | 32.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | G | 26.7 | Very low | 28.1 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 86% | 0.856 | S | S | * | * | trans | 123.6 | 113.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 5 | L | 24 | Very low | 28.2 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 88% | 0.88 | 85% | 0.852 | S | S | * | * | trans | -100.8 | 173.2 | 153.9 | -68 | 166.1 | 0 | 0 | 0 | 108 | ||||
| 6 | P | 47.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 72% | 0.721 | 85% | 0.853 | S | S | * | * | -129.7 | -174.1 | -62.2 | 39.2 | -24.1 | 0 | 0 | 0 | 110.4 | |||||
| 7 | P | 25.9 | Very low | 28.4 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 86% | 0.857 | 85% | 0.849 | S | S | * | * | trans | -135.9 | 164.4 | 141.2 | 36.1 | -23.8 | 0 | 0 | 0 | 114 | ||||
| 8 | S | 24.4 | Very low | 28.7 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 87% | 0.867 | 84% | 0.843 | S | S | * | * | trans | -110.7 | 141.1 | 179.9 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 9 | A | 24.7 | Very low | 29.1 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -154.8 | 149.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | A | 25.7 | Very low | 29.6 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | -122.9 | -159 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | P | 32.1 | Very low | 30.5 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | cis | -126.5 | 162.5 | -29.7 | 37 | -23.4 | 0 | 0 | 0 | 112.6 | ||||
| 12 | L | 26.9 | Very low | 31.7 | Very low | 182 Ų | 182 | 120 Ų | 120 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -155.2 | 146.3 | 162.9 | -102.8 | -179.4 | 0 | 0 | 0 | 112.6 | ||||
| 13 | G | 25 | Very low | 33.8 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 71.1 | 108.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 14 | G | 26.3 | Very low | 36.3 | Very low | 89 Ų | 89 | 119.6 Ų | 119.6 | 92% | 0.918 | 79% | 0.785 | S | S | * | * | trans | -85 | 145.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 15 | A | 29.3 | Very low | 38.9 | Very low | 95 Ų | 95 | 116.7 Ų | 116.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -127.6 | 139 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | G | 27.8 | Very low | 41.6 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 17 | I | 32.7 | Very low | 43 | Very low | 153 Ų | 153 | 121 Ų | 121 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 135.8 | 171.4 | -57.1 | 171.3 | 0 | 0 | 0 | 108.3 | ||
| 18 | P | 34.5 | Very low | 45.7 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 142.1 | 180 | -25 | 34.8 | 0 | 0 | 0 | 113.4 | V20 | P18-V20 PolarHBondContact O-N 3.43Š|
| 19 | S | 35.8 | Very low | 48.1 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | trans | -63.4 | 104.6 | -177 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | K21 | S19-K21 PolarHBondContact O-N 2.8Å; S19-K21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | V | 39.1 | Very low | 50.3 | Low | 131 Ų | 131 | 117.2 Ų | 117.2 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | trans | -66.4 | 108.7 | 167.7 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | P18 V22 | P18-V20 PolarHBondContact O-N 3.43Å; V20-V22 PolarHBondContact O-N 2.9Å; V20-V22 VanDerWaalsContact O-N 3.12Å | ||
| 21 | K | 47.5 | Very low | 52.6 | Low | 186 Ų | 186 | 118 Ų | 118 | 81% | 0.809 | 68% | 0.676 | S | S | * | * | trans | -68 | 108.9 | 173.2 | -72.8 | -174.1 | 176.8 | -178.3 | 0 | 109.5 | S19 | S19-K21 PolarHBondContact O-N 2.8Å; S19-K21 VanDerWaalsContact O-N 3.12Å | ||
| 22 | V | 55.8 | Low | 54.6 | Low | 93 Ų | 93 | 118.2 Ų | 118.2 | 56% | 0.564 | 67% | 0.665 | S | S | * | * | trans | -55.9 | 136.7 | 168.2 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | V20 L43 | V20-V22 PolarHBondContact O-N 2.9Å; V20-V22 VanDerWaalsContact O-N 3.12Å; V22-L43 HydrophobicContact CG1-CB 4.22Å; V22-L43 HydrophobicContact CG1-CD1 4.41Å; V22-L43 HydrophobicContact CG1-CD2 4.31Å | ||
| 23 | K | 71.2 | Confident | 57 | Low | 144 Ų | 144 | 113.3 Ų | 113.3 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | trans | -112.6 | 124.8 | 179.8 | -72.1 | 177.2 | -178.9 | 175.4 | 0 | 109.5 | F42 L43 | K23-F42 HydrophobicContact CB-CD1 3.65Å; K23-F42 HydrophobicContact CB-CE1 3.92Å; K23-F42 HydrophobicContact CD-CE1 4.02Å; K23-L43 PolarHBondContact O-N 2.64Å | ||
| 24 | F | 79.6 | Confident | 59.7 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 53% | 0.531 | 61% | 0.612 | S | S | . | * | B | Isolated β-bridge | trans | -81.6 | 149 | 176 | -61.4 | -82.6 | 0 | 0 | 0 | 111.2 | R26 L43 E45 | F24-R26 PolarHBondContact O-N 2.83Å; F24-L43 WeakPolarHBondContact CA-O 3.41Å; F24-L43 HydrophobicContact CD1-CB 3.87Å; F24-L43 HydrophobicContact CD1-CD2 4.37Å; F24-L43 HydrophobicContact CE1-CB 4.19Å; F24-L43 HydrophobicContact CE1-CD2 3.86Å; F24-E45 HydrophobicContact CD1-CB 4.32Å; F24-E45 HydrophobicContact CE1-CB 4.27Å; F24-E45 WeakPolarHBondContact CE1-OE2 3.42Å |
| 25 | C | 81.4 | Confident | 62 | Low | 14 Ų | 14 | 114.3 Ų | 114.3 | 10% | 0.095 | 60% | 0.603 | C | S | . | * | trans | -72.9 | 120.2 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 111 | Y27 Y28 C34 C40 F42 L43 H44 | C25-Y27 PolarHBondContact O-N 3.43Å; C25-Y27 PolarHBondContact SG-N 2.98Å; C25-Y27 VanDerWaalsContact SG-N 3.36Å; C25-Y28 PolarHBondContact O-N 3.15Å; C25-C34 VanDerWaalsContact SG-SG 3.62Å; C25-C40 PolarHBondContact SG-SG 3.15Å; C25-F42 HydrophobicContact CB-CB 3.81Å; C25-L43 PolarHBondContact N-O 3.17Å; C25-H44 VanDerWaalsContact CB-CD2 3.44Å; C25-H44 WeakPolarHBondContact CB-CD2 3.28Å | ||
| 26 | R | 80.4 | Confident | 64.1 | Low | 231 Ų | 231 | 115.4 Ų | 115.4 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -9.5 | 175.3 | -169.9 | 168.9 | 179.6 | 164.5 | 1.4 | 113.6 | F24 | F24-R26 PolarHBondContact O-N 2.83Š|
| 27 | Y | 76.1 | Confident | 66.4 | Low | 139 Ų | 139 | 113 Ų | 113 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.2 | 12.3 | -176.6 | -55.2 | -82.8 | 0 | 0 | 0 | 113.1 | C25 Y36 | C25-Y27 PolarHBondContact O-N 3.43Å; C25-Y27 PolarHBondContact SG-N 2.98Å; C25-Y27 VanDerWaalsContact SG-N 3.36Å; Y27-Y36 HydrophobicContact CD2-CD2 4.38Å; Y27-Y36 AromaticContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CE2-CE2 4.19Å; Y27-Y36 HydrophobicContact CG-CE2 4.05Å |
| 28 | Y | 83.4 | Confident | 68.2 | Low | 56 Ų | 56 | 114.1 Ų | 114.1 | 22% | 0.22 | 57% | 0.57 | C | S | . | * | B | Isolated β-bridge | trans | -83.2 | 119.9 | 170.2 | -167.2 | -121.1 | 0 | 0 | 0 | 109.7 | C25 K32 T33 C34 H44 | C25-Y28 PolarHBondContact O-N 3.15Å; Y28-K32 HydrophobicContact CE2-CB 4.46Å; Y28-K32 VanDerWaalsContact CE2-O 3.24Å; Y28-K32 WeakPolarHBondContact CE2-O 3.23Å; Y28-K32 WeakPolarHBondContact OH-CB 3.25Å; Y28-T33 WeakPolarHBondContact CA-O 3.42Å; Y28-T33 WeakPolarHBondContact CD2-O 3.31Å; Y28-C34 HydrophobicContact CD2-CB 4.12Å; Y28-H44 HydrophobicContact CD1-CB 4.1Å; Y28-H44 HydrophobicContact CD2-CB 3.81Å; Y28-H44 AromaticContact CD2-CD2 3.63Å; Y28-H44 AromaticContact CD2-CG 3.53Å; Y28-H44 AromaticContact CD2-ND1 3.96Å; Y28-H44 HydrophobicContact CE1-CB 4.01Å; Y28-H44 HydrophobicContact CE2-CB 3.71Å; Y28-H44 AromaticContact CE2-CG 3.75Å; Y28-H44 HydrophobicContact CG-CB 4Å; Y28-H44 AromaticContact CG-CD2 3.84Å; Y28-H44 AromaticContact CG-CG 3.98Å |
| 29 | A | 74.8 | Confident | 69.8 | Low | 39 Ų | 39 | 117.3 Ų | 117.3 | 32% | 0.322 | 58% | 0.575 | S | S | . | * | trans | -94.6 | 161.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D31 K32 T33 | A29-D31 VanDerWaalsContact CB-OD1 3.27Å; A29-D31 WeakPolarHBondContact CB-OD1 3.34Å; A29-D31 PolarHBondContact O-N 3.47Å; A29-D31 VanDerWaalsContact O-N 3.14Å; A29-K32 PolarHBondContact O-N 3.12Å; A29-T33 PolarHBondContact N-O 3.46Å | ||
| 30 | K | 71.4 | Confident | 71.9 | Confident | 182 Ų | 182 | 112.8 Ų | 112.8 | 79% | 0.791 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.4 | -177 | -67.8 | -171.5 | 176.8 | -174 | 0 | 114.5 | K32 P47 | K30-K32 VanDerWaalsContact C-N 3.28Å; K30-P47 HydrophobicContact CG-CG 4.09Å |
| 31 | D | 74.1 | Confident | 73.7 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 7.2 | 171.2 | 57.7 | 15.7 | 0 | 0 | 0 | 112.7 | A29 T33 | A29-D31 VanDerWaalsContact CB-OD1 3.27Å; A29-D31 WeakPolarHBondContact CB-OD1 3.34Å; A29-D31 PolarHBondContact O-N 3.47Å; A29-D31 VanDerWaalsContact O-N 3.14Å; D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.96Å; D31-T33 WeakPolarHBondContact OD1-CB 3.28Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.4Å; D31-T33 PolarHBondContact OD1-N 3.08Å; D31-T33 PolarHBondContact OD1-OG1 3.12Å |
| 32 | K | 72.7 | Confident | 75.3 | Confident | 124 Ų | 124 | 111.4 Ų | 111.4 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 69.6 | 16.4 | -178 | -50.4 | -161.2 | -175.6 | -151.4 | 0 | 115.2 | Y28 A29 K30 D46 | Y28-K32 HydrophobicContact CE2-CB 4.46Å; Y28-K32 VanDerWaalsContact CE2-O 3.24Å; Y28-K32 WeakPolarHBondContact CE2-O 3.23Å; Y28-K32 WeakPolarHBondContact OH-CB 3.25Å; A29-K32 PolarHBondContact O-N 3.12Å; K30-K32 VanDerWaalsContact C-N 3.28Å; K32-D46 VanDerWaalsContact CE-OD1 3.31Å; K32-D46 WeakPolarHBondContact CE-OD1 3.33Å; K32-D46 VanDerWaalsContact CE-OD2 3.3Å; K32-D46 WeakPolarHBondContact CE-OD2 3.46Å; K32-D46 IonicContact NZ-OD1 3.19Å; K32-D46 IonicContact NZ-OD2 2.74Å; K32-D46 PolarHBondContact NZ-OD2 3.01Å |
| 33 | T | 77.2 | Confident | 76.4 | Confident | 78 Ų | 78 | 111.3 Ų | 111.3 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | trans | -88.3 | 148.8 | 171.7 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | Y28 A29 D31 | Y28-T33 WeakPolarHBondContact CA-O 3.42Å; Y28-T33 WeakPolarHBondContact CD2-O 3.31Å; A29-T33 PolarHBondContact N-O 3.46Å; D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.96Å; D31-T33 WeakPolarHBondContact OD1-CB 3.28Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.4Å; D31-T33 PolarHBondContact OD1-N 3.08Å; D31-T33 PolarHBondContact OD1-OG1 3.12Å | ||
| 34 | C | 83.3 | Confident | 77 | Confident | 21 Ų | 21 | 107.7 Ų | 107.7 | 14% | 0.142 | 51% | 0.511 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 137.3 | 167.2 | -175.5 | 0 | 0 | 0 | 0 | 109 | C25 Y28 Y36 G37 H44 | C25-C34 VanDerWaalsContact SG-SG 3.62Å; Y28-C34 HydrophobicContact CD2-CB 4.12Å; C34-Y36 PolarHBondContact O-N 3.16Å; C34-Y36 VanDerWaalsContact O-N 3.12Å; C34-Y36 PolarHBondContact SG-N 3.18Å; C34-G37 PolarHBondContact O-N 3.13Å; C34-H44 VanDerWaalsContact CB-CE1 3.42Å; C34-H44 WeakPolarHBondContact CB-CE1 3.33Å; C34-H44 WeakPolarHBondContact CB-NE2 3.39Å; C34-H44 PolarHBondContact SG-NE2 2.89Å |
| 35 | F | 73.1 | Confident | 76.6 | Confident | 165 Ų | 165 | 107.4 Ų | 107.4 | 72% | 0.724 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.7 | 175.4 | -175.2 | -95.3 | 0 | 0 | 0 | 113.5 | ||
| 36 | Y | 74.5 | Confident | 75.4 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 6.3 | 179.7 | -60.5 | -78.1 | 0 | 0 | 0 | 113.9 | Y27 C34 E39 | Y27-Y36 HydrophobicContact CD2-CD2 4.38Å; Y27-Y36 AromaticContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CE2-CE2 4.19Å; Y27-Y36 HydrophobicContact CG-CE2 4.05Å; C34-Y36 PolarHBondContact O-N 3.16Å; C34-Y36 VanDerWaalsContact O-N 3.12Å; C34-Y36 PolarHBondContact SG-N 3.18Å; Y36-E39 PolarHBondContact O-N 3.08Å |
| 37 | G | 75.9 | Confident | 74 | Confident | 34 Ų | 34 | 102.9 Ų | 102.9 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | 52.3 | -139.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C34 E39 | C34-G37 PolarHBondContact O-N 3.13Å; G37-E39 VanDerWaalsContact C-N 3.3Å; G37-E39 PolarHBondContact O-N 3.46Å |
| 38 | D | 70.4 | Confident | 72.7 | Confident | 176 Ų | 176 | 101 Ų | 101 | 94% | 0.941 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -77.8 | -10.2 | -178.7 | -58.8 | -42.5 | 0 | 0 | 0 | 113.8 | C40 | D38-C40 PolarHBondContact O-N 3.13Š|
| 39 | E | 68.3 | Low | 70.7 | Confident | 181 Ų | 181 | 105.9 Ų | 105.9 | 85% | 0.846 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -83 | 3.5 | 174.7 | -60.9 | -161.5 | 141.6 | 0 | 0 | 112.9 | Y36 G37 Q41 | Y36-E39 PolarHBondContact O-N 3.08Å; G37-E39 VanDerWaalsContact C-N 3.3Å; G37-E39 PolarHBondContact O-N 3.46Å; E39-Q41 PolarHBondContact O-N 3.11Å |
| 40 | C | 79.3 | Confident | 69.1 | Low | 25 Ų | 25 | 108.2 Ų | 108.2 | 17% | 0.169 | 57% | 0.57 | C | S | . | * | trans | -73.1 | 116.6 | -177.7 | -156.9 | 0 | 0 | 0 | 0 | 112.7 | C25 D38 F42 | C25-C40 PolarHBondContact SG-SG 3.15Å; D38-C40 PolarHBondContact O-N 3.13Å; C40-F42 PolarHBondContact O-N 2.79Å; C40-F42 VanDerWaalsContact O-N 3.12Å | ||
| 41 | Q | 77.8 | Confident | 67.5 | Low | 185 Ų | 185 | 104.6 Ų | 104.6 | 86% | 0.864 | 57% | 0.568 | S | S | * | * | trans | -79.3 | 16.2 | -180 | -58.1 | -179.1 | 2.1 | 0 | 0 | 114.2 | E39 | E39-Q41 PolarHBondContact O-N 3.11Š| ||
| 42 | F | 80.8 | Confident | 65.4 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 45% | 0.452 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -129 | 146.7 | -175.6 | -63.3 | -67.9 | 0 | 0 | 0 | 110.8 | K23 C25 C40 H44 | K23-F42 HydrophobicContact CB-CD1 3.65Å; K23-F42 HydrophobicContact CB-CE1 3.92Å; K23-F42 HydrophobicContact CD-CE1 4.02Å; C25-F42 HydrophobicContact CB-CB 3.81Å; C40-F42 PolarHBondContact O-N 2.79Å; C40-F42 VanDerWaalsContact O-N 3.12Å; F42-H44 PolarHBondContact O-N 3.28Å |
| 43 | L | 78.1 | Confident | 63.5 | Low | 91 Ų | 91 | 108 Ų | 108 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | B | Isolated β-bridge | trans | -68.1 | 135.3 | -170.9 | -137.8 | 81.5 | 0 | 0 | 0 | 112.2 | V22 K23 F24 C25 | V22-L43 HydrophobicContact CG1-CB 4.22Å; V22-L43 HydrophobicContact CG1-CD1 4.41Å; V22-L43 HydrophobicContact CG1-CD2 4.31Å; K23-L43 PolarHBondContact O-N 2.64Å; F24-L43 WeakPolarHBondContact CA-O 3.41Å; F24-L43 HydrophobicContact CD1-CB 3.87Å; F24-L43 HydrophobicContact CD1-CD2 4.37Å; F24-L43 HydrophobicContact CE1-CB 4.19Å; F24-L43 HydrophobicContact CE1-CD2 3.86Å; C25-L43 PolarHBondContact N-O 3.17Å |
| 44 | H | 84.9 | Confident | 61 | Low | 67 Ų | 67 | 112.3 Ų | 112.3 | 31% | 0.31 | 62% | 0.616 | S | S | . | * | trans | -99.8 | 118.2 | 173.4 | -65.9 | 161 | 0 | 0 | 0 | 109.5 | C25 Y28 C34 F42 | C25-H44 VanDerWaalsContact CB-CD2 3.44Å; C25-H44 WeakPolarHBondContact CB-CD2 3.28Å; Y28-H44 HydrophobicContact CD1-CB 4.1Å; Y28-H44 HydrophobicContact CD2-CB 3.81Å; Y28-H44 AromaticContact CD2-CD2 3.63Å; Y28-H44 AromaticContact CD2-CG 3.53Å; Y28-H44 AromaticContact CD2-ND1 3.96Å; Y28-H44 HydrophobicContact CE1-CB 4.01Å; Y28-H44 HydrophobicContact CE2-CB 3.71Å; Y28-H44 AromaticContact CE2-CG 3.75Å; Y28-H44 HydrophobicContact CG-CB 4Å; Y28-H44 AromaticContact CG-CD2 3.84Å; Y28-H44 AromaticContact CG-CG 3.98Å; C34-H44 VanDerWaalsContact CB-CE1 3.42Å; C34-H44 WeakPolarHBondContact CB-CE1 3.33Å; C34-H44 WeakPolarHBondContact CB-NE2 3.39Å; C34-H44 PolarHBondContact SG-NE2 2.89Å; F42-H44 PolarHBondContact O-N 3.28Å | ||
| 45 | E | 71.7 | Confident | 58.4 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 54% | 0.542 | 65% | 0.653 | S | S | . | * | trans | -144.3 | 143.6 | 180 | -172.2 | 168.5 | -147.5 | 0 | 0 | 110.3 | F24 | F24-E45 HydrophobicContact CD1-CB 4.32Å; F24-E45 HydrophobicContact CE1-CB 4.27Å; F24-E45 WeakPolarHBondContact CE1-OE2 3.42Å | ||
| 46 | D | 55.4 | Low | 56.2 | Low | 52 Ų | 52 | 115.8 Ų | 115.8 | 28% | 0.278 | 65% | 0.649 | S | S | . | * | trans | -70.9 | 123.7 | -178.8 | -83.2 | -55.8 | 0 | 0 | 0 | 111.4 | K32 S48 | K32-D46 VanDerWaalsContact CE-OD1 3.31Å; K32-D46 WeakPolarHBondContact CE-OD1 3.33Å; K32-D46 VanDerWaalsContact CE-OD2 3.3Å; K32-D46 WeakPolarHBondContact CE-OD2 3.46Å; K32-D46 IonicContact NZ-OD1 3.19Å; K32-D46 IonicContact NZ-OD2 2.74Å; K32-D46 PolarHBondContact NZ-OD2 3.01Å; D46-S48 PolarHBondContact O-N 3.21Å | ||
| 47 | P | 50.3 | Low | 53.9 | Low | 98 Ų | 98 | 114 Ų | 114 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 22.9 | -176 | 31.5 | -36.8 | 0 | 0 | 0 | 114.5 | K30 | K30-P47 HydrophobicContact CG-CG 4.09Š|
| 48 | S | 48.8 | Very low | 51.6 | Low | 99 Ų | 99 | 116.6 Ų | 116.6 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -11.9 | 178.1 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | D46 | D46-S48 PolarHBondContact O-N 3.21Š|
| 49 | M | 42.7 | Very low | 49.4 | Very low | 159 Ų | 159 | 112.1 Ų | 112.1 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -98.7 | 1.4 | -174.2 | -72.8 | -75.8 | -81.8 | 0 | 0 | 114.9 | S51 | M49-S51 VanDerWaalsContact C-N 3.26Å; M49-S51 PolarHBondContact O-N 3Å |
| 50 | G | 40.2 | Very low | 47.5 | Very low | 87 Ų | 87 | 109 Ų | 109 | 90% | 0.897 | 69% | 0.687 | S | S | * | * | trans | -78.2 | 21.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 51 | S | 38.4 | Very low | 46.1 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | trans | -140.5 | 57.3 | -168.1 | -175.7 | 0 | 0 | 0 | 0 | 115 | M49 | M49-S51 VanDerWaalsContact C-N 3.26Å; M49-S51 PolarHBondContact O-N 3Å | ||
| 52 | M | 30 | Very low | 43.9 | Very low | 187 Ų | 187 | 110 Ų | 110 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | trans | -134.2 | 125.7 | 158.1 | -73 | -64.2 | -98.7 | 0 | 0 | 109.6 | ||||
| 53 | S | 31.6 | Very low | 42.1 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | -86.3 | 154 | -179.9 | -61 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 54 | L | 26.1 | Very low | 39.8 | Very low | 167 Ų | 167 | 112.9 Ų | 112.9 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | -140.3 | 127.2 | 152.1 | -146.6 | 81.5 | 0 | 0 | 0 | 112.1 | ||||
| 55 | H | 27.5 | Very low | 37.9 | Very low | 198 Ų | 198 | 114.4 Ų | 114.4 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | trans | -121.1 | 134.2 | 166 | -154.7 | -55.7 | 0 | 0 | 0 | 106.1 | ||||
| 56 | G | 26.8 | Very low | 35.7 | Very low | 62 Ų | 62 | 117.6 Ų | 117.6 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | 113.6 | 149.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 57 | G | 26.6 | Very low | 34.5 | Very low | 80 Ų | 80 | 119 Ų | 119 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -141.4 | -178.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 58 | G | 28.2 | Very low | 33.3 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 92% | 0.918 | 80% | 0.796 | S | S | * | * | trans | 93.7 | 106.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 59 | G | 24.7 | Very low | 32.2 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 152.8 | 133.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 60 | S | 27.5 | Very low | 31.3 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -164 | 156.5 | -179 | -157.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 61 | P | 49.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 114 Ų | 114 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | cis | -135.1 | -159.7 | -21.3 | 21.3 | 4.5 | 0 | 0 | 0 | 112.9 | ||||
| 62 | V | 32.4 | Very low | 29.8 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | 82.4 | 146.1 | 153 | -158.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 63 | P | 43.6 | Very low | 30.6 | Very low | 96 Ų | 96 | 112 Ų | 112 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | -147.8 | 171.2 | -51.7 | 46.4 | -29.4 | 0 | 0 | 0 | 117.9 | |||||
| 64 | L | 28.2 | Very low | 30.5 | Very low | 158 Ų | 158 | 111.2 Ų | 111.2 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | 57.5 | 174.7 | 138.4 | -69.9 | 166.7 | 0 | 0 | 0 | 121.3 | ||||
| 65 | P | 46.1 | Very low | 30.4 | Very low | 100 Ų | 100 | 106.5 Ų | 106.5 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | -140.2 | -176.2 | -46.9 | 40.1 | -23.6 | 0 | 0 | 0 | 116.4 | ||||
| 66 | M | 26 | Very low | 30.3 | Very low | 183 Ų | 183 | 108.3 Ų | 108.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | 75 | 164.9 | 153 | -63.8 | -122.7 | 120.4 | 0 | 0 | 120.5 | ||||
| 67 | A | 29.3 | Very low | 30.2 | Very low | 81 Ų | 81 | 110.1 Ų | 110.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | cis | -176.1 | 149.7 | -42.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 68 | G | 25.8 | Very low | 30.2 | Very low | 87 Ų | 87 | 115 Ų | 115 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | 82.3 | 161.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 69 | G | 24.8 | Very low | 30 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | 160.4 | 120.6 | -13.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 70 | G | 23.6 | Very low | 30.1 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 94% | 0.938 | 79% | 0.792 | S | S | * | * | trans | 87.6 | 151.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 71 | G | 23.4 | Very low | 30 | Very low | 80 Ų | 80 | 115 Ų | 115 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 141.5 | 120.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 72 | T | 24.5 | Very low | 28.9 | Very low | 138 Ų | 138 | 114.1 Ų | 114.1 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 177.6 | 176.9 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 73 | P | 46.7 | Very low | 28.6 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -137.9 | -178.7 | -40.5 | 37.3 | -19.6 | 0 | 0 | 0 | 115.4 | ||||
| 74 | A | 28.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | 70 | 149.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 75 | G | 24.5 | Very low | 27.6 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | 161.4 | 81.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 76 | Y | 25.3 | Very low | 27.5 | Very low | 236 Ų | 236 | 115.6 Ų | 115.6 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 64.2 | -173.6 | 142.2 | -62.4 | -72.7 | 0 | 0 | 0 | 123.8 | ||||
| 77 | S | 24.7 | Very low | 27.5 | Very low | 101 Ų | 101 | 110.6 Ų | 110.6 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -143.6 | -169.2 | -139.5 | -42.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 78 | L | 27.1 | Very low | 27.3 | Very low | 181 Ų | 181 | 111.1 Ų | 111.1 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | 86.2 | 152.6 | 171.4 | -59.7 | 121.2 | 0 | 0 | 0 | 117.4 | ||||
| 79 | G | 24 | Very low | 27.2 | Very low | 74 Ų | 74 | 110.9 Ų | 110.9 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | cis | 164 | 147.5 | -12 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 80 | G | 25.7 | Very low | 27.3 | Very low | 72 Ų | 72 | 110.2 Ų | 110.2 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 81.4 | 170 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 81 | T | 26.7 | Very low | 27.5 | Very low | 142 Ų | 142 | 113 Ų | 113 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | cis | -169.6 | 143.8 | -22.5 | 1.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 82 | A | 26.9 | Very low | 27.7 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 72.1 | 166.4 | 143 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 83 | T | 25.7 | Very low | 27.9 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | 84.8 | 160.4 | 170.8 | 72 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 84 | V | 26.7 | Very low | 27 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | -173.1 | 123.7 | -86.5 | 151.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 85 | C | 22.8 | Very low | 27 | Very low | 119 Ų | 119 | 117 Ų | 117 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 58.9 | 176.1 | 154.6 | -73.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 86 | P | 44.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | cis | -134.4 | 177.4 | -25.1 | 28.7 | -7.9 | 0 | 0 | 0 | 115.7 | ||||
| 87 | G | 25 | Very low | 27.1 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | 132 | 115.9 | 129.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 88 | G | 25.5 | Very low | 27.2 | Very low | 91 Ų | 91 | 117 Ų | 117 | 94% | 0.938 | 80% | 0.8 | S | S | * | * | trans | 83.2 | 151.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 89 | G | 24.9 | Very low | 27.2 | Very low | 82 Ų | 82 | 112.7 Ų | 112.7 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | cis | 166.4 | 138.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 90 | G | 26.6 | Very low | 27.3 | Very low | 68 Ų | 68 | 117.5 Ų | 117.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 105.6 | 129.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 91 | T | 26.9 | Very low | 27.2 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | cis | 100.5 | 111.4 | 20.1 | 68.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 92 | G | 27.8 | Very low | 27.8 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -173.1 | 135.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 93 | V | 28.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -161.8 | 164.5 | -166.3 | -121 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 94 | S | 28.3 | Very low | 27.8 | Very low | 102 Ų | 102 | 114.6 Ų | 114.6 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | cis | -160.5 | 177.8 | 3.1 | -163.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 95 | K | 28.2 | Very low | 27.8 | Very low | 200 Ų | 200 | 115.3 Ų | 115.3 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | 119.9 | 123.6 | 163.8 | -69.3 | 168 | 180 | 178.8 | 0 | 113.2 | ||||
| 96 | K | 28 | Very low | 27.9 | Very low | 148 Ų | 148 | 114.3 Ų | 114.3 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | cis | 99.2 | 107.5 | 14.8 | -158.2 | -145 | -170 | -150.3 | 0 | 116.3 | E98 | K96-E98 WeakPolarHBondContact CE-OE1 3.4Å; K96-E98 VanDerWaalsContact CE-OE2 3.26Å; K96-E98 WeakPolarHBondContact CE-OE2 3.35Å; K96-E98 IonicContact NZ-OE1 3.11Å; K96-E98 PolarHBondContact NZ-OE1 3.15Å; K96-E98 IonicContact NZ-OE2 2.78Å; K96-E98 PolarHBondContact NZ-OE2 2.7Å | ||
| 97 | S | 24.9 | Very low | 26.9 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -162 | 124.7 | 136.8 | -76.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 98 | E | 26.1 | Very low | 26.9 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | 61.7 | 126.1 | 60 | -76.1 | 172.1 | 161.9 | 0 | 0 | 113.6 | K96 | K96-E98 WeakPolarHBondContact CE-OE1 3.4Å; K96-E98 VanDerWaalsContact CE-OE2 3.26Å; K96-E98 WeakPolarHBondContact CE-OE2 3.35Å; K96-E98 IonicContact NZ-OE1 3.11Å; K96-E98 PolarHBondContact NZ-OE1 3.15Å; K96-E98 IonicContact NZ-OE2 2.78Å; K96-E98 PolarHBondContact NZ-OE2 2.7Å | |||
| 99 | A | 26.8 | Very low | 26.9 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -150.4 | -173.9 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 100 | L | 26.3 | Very low | 26.8 | Very low | 175 Ų | 175 | 124.3 Ų | 124.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | cis | -150.4 | -128.1 | 12 | -147.4 | 170.2 | 0 | 0 | 0 | 110.6 | ||||
| 101 | G | 22.9 | Very low | 26.6 | Very low | 59 Ų | 59 | 127.4 Ų | 127.4 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -155.3 | -151.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 102 | P | 40.2 | Very low | 26.4 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | cis | -143.2 | 165.8 | 32.4 | 42.2 | -24.1 | 0 | 0 | 0 | 118.3 | ||||
| 103 | T | 27.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 50.4 | 143.1 | 147.7 | 52.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 104 | G | 25.8 | Very low | 25.9 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | 171.9 | 177.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 105 | T | 26.1 | Very low | 26.1 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | cis | -149.5 | 157.7 | 2.2 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 106 | A | 23.6 | Very low | 25.9 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -83.7 | 163.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 107 | L | 25.5 | Very low | 25.6 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -151.4 | 160.6 | 145.6 | -111.9 | 174.6 | 0 | 0 | 0 | 110.2 | ||||
| 108 | E | 23.9 | Very low | 25.5 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -123.9 | 151.6 | -160.1 | -172.9 | 170.9 | -158.7 | 0 | 0 | 111.4 | ||||
| 109 | G | 25.5 | Very low | 25.3 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -162.6 | 117.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 110 | Q | 23.3 | Very low | 25.5 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -108.4 | 152.4 | -170.2 | -84.9 | -174.7 | -25.4 | 0 | 0 | 114.1 | ||||
| 111 | L | 22.5 | Very low | 25.3 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 50.1 | 131.6 | 151.3 | -87.5 | 77.1 | 0 | 0 | 0 | 120.5 | ||||
| 112 | L | 23.6 | Very low | 25.4 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | -168.9 | 165 | 100 | -97.7 | 170.3 | 0 | 0 | 0 | 111.6 | |||||
| 113 | T | 21.5 | Very low | 24.6 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 61% | 0.607 | 80% | 0.801 | S | S | * | * | trans | -150.1 | 112.6 | -147 | -48.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 114 | I | 23.4 | Very low | 24.5 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 66.9 | 170.7 | 147.4 | -67.8 | 175.4 | 0 | 0 | 0 | 115.4 | ||||
| 115 | P | 32.1 | Very low | 24.4 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -124.8 | 177.2 | -9.7 | 22.7 | 0.5 | 0 | 0 | 0 | 117 | ||||
| 116 | G | 24 | Very low | 24.3 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 147.1 | 93.8 | 130.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 117 | M | 22.7 | Very low | 24.5 | Very low | 174 Ų | 174 | 138 Ų | 138 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | 58.9 | 149.4 | 145.2 | -80.6 | 170.7 | 65.5 | 0 | 0 | 120.1 | ||||
| 118 | E | 22.8 | Very low | 24.6 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | cis | -132.5 | -175.9 | 6.7 | -62.4 | -172.7 | 137.3 | 0 | 0 | 112.2 | ||||
| 119 | G | 22.1 | Very low | 24.6 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -114.3 | -151.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 120 | P | 30.1 | Very low | 24.7 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | -137.1 | -179.4 | -4.3 | 43.7 | -27.2 | 0 | 0 | 0 | 115.9 | ||||
| 121 | A | 22.1 | Very low | 24.7 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 65 | 157 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 122 | L | 25.1 | Very low | 24.8 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | cis | -137.1 | 166.1 | 21.7 | -79.9 | 162.4 | 0 | 0 | 0 | 112.8 | ||||
| 123 | N | 24 | Very low | 24.9 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -85.5 | 154.1 | 164.3 | -74.3 | -35.1 | 0 | 0 | 0 | 111 | ||||
| 124 | D | 24.3 | Very low | 25.2 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -132.2 | 132.4 | 155 | -123.8 | -31.6 | 0 | 0 | 0 | 110.1 | ||||
| 125 | A | 25.3 | Very low | 25.3 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -109.5 | 144.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 126 | N | 23.7 | Very low | 25.1 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -117.2 | 137.2 | 178.1 | -126.6 | -45.4 | 0 | 0 | 0 | 111.4 | ||||
| 127 | L | 26.3 | Very low | 25.4 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -86.7 | 143.9 | -159 | -64.8 | 91.6 | 0 | 0 | 0 | 113.6 | ||||
| 128 | T | 28.5 | Very low | 25.5 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -96.2 | 123.3 | 172.3 | 46 | 0 | 0 | 0 | 0 | 111.6 | S130 | T128-S130 PolarHBondContact O-N 2.84Å; T128-S130 VanDerWaalsContact O-N 3.08Å; T128-S130 PolarHBondContact O-OG 3.17Å | ||
| 129 | N | 24.8 | Very low | 25.7 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -60.4 | 112 | 174.9 | -81.1 | -39 | 0 | 0 | 0 | 111 | ||||
| 130 | S | 26.2 | Very low | 26 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 55% | 0.545 | 80% | 0.799 | S | S | . | * | trans | -131.7 | 64.6 | -168 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | T128 | T128-S130 PolarHBondContact O-N 2.84Å; T128-S130 VanDerWaalsContact O-N 3.08Å; T128-S130 PolarHBondContact O-OG 3.17Å | ||
| 131 | Y | 24.4 | Very low | 25.9 | Very low | 218 Ų | 218 | 137.2 Ų | 137.2 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -133.2 | 79.6 | 179.9 | -75 | -73.6 | 0 | 0 | 0 | 113.1 | ||||
| 132 | F | 24.7 | Very low | 26 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | -170.3 | 57.1 | 129.6 | -112.2 | -71.6 | 0 | 0 | 0 | 111.6 | S134 | F132-S134 PolarHBondContact O-N 3.34Š| |||
| 133 | S | 24.1 | Very low | 26 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -87.8 | 89.6 | 168.9 | -66.3 | 0 | 0 | 0 | 0 | 110.1 | S135 | S133-S135 PolarHBondContact O-N 3.4Š| ||
| 134 | S | 27.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -74.4 | 72.4 | 175.3 | 47.3 | 0 | 0 | 0 | 0 | 112 | F132 F136 | F132-S134 PolarHBondContact O-N 3.34Å; S134-F136 PolarHBondContact O-N 3Å; S134-F136 VanDerWaalsContact O-N 3.16Å | ||
| 135 | S | 26.4 | Very low | 26.6 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -65.4 | 109.7 | 170.1 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | S133 | S133-S135 PolarHBondContact O-N 3.4Š| ||
| 136 | F | 28.6 | Very low | 26.6 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -103.4 | 155 | 162.1 | -137.4 | -93.4 | 0 | 0 | 0 | 111.3 | S134 G138 | S134-F136 PolarHBondContact O-N 3Å; S134-F136 VanDerWaalsContact O-N 3.16Å; F136-G138 PolarHBondContact O-N 3.3Å | ||
| 137 | I | 28.4 | Very low | 26.6 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 114.1 | -157.6 | -65.4 | 163.3 | 0 | 0 | 0 | 111.8 | V139 | I137-V139 HydrophobicContact CG2-CG2 4.29Š| ||
| 138 | G | 26.2 | Very low | 26.6 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | -81.8 | 117.1 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | F136 N140 | F136-G138 PolarHBondContact O-N 3.3Å; G138-N140 PolarHBondContact O-N 3.33Å | ||
| 139 | V | 27.3 | Very low | 26.4 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -91.5 | 88.6 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | I137 | I137-V139 HydrophobicContact CG2-CG2 4.29Š| ||
| 140 | N | 28.4 | Very low | 26.4 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -85.7 | 112 | 175.2 | -79 | 7 | 0 | 0 | 0 | 110.9 | G138 | G138-N140 PolarHBondContact O-N 3.33Š| ||
| 141 | G | 26.3 | Very low | 26.2 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -71.8 | 146.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 142 | F | 25.3 | Very low | 26.4 | Very low | 224 Ų | 224 | 140.5 Ų | 140.5 | 98% | 0.982 | 81% | 0.812 | S | S | * | * | trans | -68.9 | 158.7 | 163.6 | -86.8 | -112.2 | 0 | 0 | 0 | 110.1 | ||||
| 143 | G | 24.1 | Very low | 26.4 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -150.3 | -168.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 144 | S | 22 | Very low | 26.6 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | 71.6 | 159.8 | 176.5 | -64.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 145 | P | 39.9 | Very low | 26.5 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | cis | -134 | 163.1 | -27.8 | 34.6 | -18.2 | 0 | 0 | 0 | 114.4 | ||||
| 146 | A | 25.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -162.5 | 149.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 147 | E | 23.8 | Very low | 26.3 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -112.5 | 150.5 | 169.2 | -60.9 | -177 | 109.2 | 0 | 0 | 111 | ||||
| 148 | S | 26.4 | Very low | 26.1 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | 143.8 | 113.5 | 137.3 | -68.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 149 | K | 24.2 | Very low | 26.1 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | 30.4 | 115.4 | 134.2 | -66.6 | 174.5 | -179.5 | 170.1 | 0 | 122 | ||||
| 150 | Y | 23.7 | Very low | 26 | Very low | 214 Ų | 214 | 149 Ų | 149 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | 63.4 | 160.9 | 154.4 | -48.6 | -64.8 | 0 | 0 | 0 | 116.7 | ||||
| 151 | T | 22.6 | Very low | 25.9 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | cis | -147.1 | 168.2 | 11.2 | -35.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 152 | M | 28.1 | Very low | 25.8 | Very low | 178 Ų | 178 | 149 Ų | 149 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -41.7 | 135.1 | 172.4 | 170.8 | -162.9 | -98.9 | 0 | 0 | 117 | ||||
| 153 | M | 26 | Very low | 26 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 96% | 0.961 | 82% | 0.821 | S | S | * | * | trans | -159.1 | 171.6 | 140.1 | -128.4 | -172.7 | 174 | 0 | 0 | 112.8 | ||||
| 154 | Q | 28.1 | Very low | 26.2 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -139.4 | 129.7 | -156.6 | 173.7 | -169 | 2.6 | 0 | 0 | 113.2 | ||||
| 155 | R | 25.3 | Very low | 26.4 | Very low | 256 Ų | 256 | 148.3 Ų | 148.3 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | trans | -161.5 | 164.7 | 153.1 | -122.8 | 174.6 | -174.8 | 176.5 | 1.9 | 114.4 | ||||
| 156 | M | 24.6 | Very low | 25.9 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | trans | -117 | 151.2 | -170.7 | -58.2 | 168.4 | 163.3 | 0 | 0 | 112.9 | ||||
| 157 | T | 27.1 | Very low | 26.1 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -165.7 | 132.1 | 136.7 | 35.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 158 | T | 24.4 | Very low | 26.2 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | cis | 107.8 | 82.8 | 20.6 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 159 | S | 24.4 | Very low | 26.3 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -170.1 | 116.7 | 149.7 | 40.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 160 | S | 25.7 | Very low | 26.5 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 63.3 | 126.7 | 70.6 | 75.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 161 | S | 25.8 | Very low | 26.7 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | cis | -152.5 | 152.2 | 30.6 | -58.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 162 | S | 25.1 | Very low | 26.8 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -139.8 | 146.1 | 160.7 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 163 | P | 30.3 | Very low | 26.7 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 140.2 | 171.4 | 33.9 | -31.4 | 0 | 0 | 0 | 112 | ||||
| 164 | S | 26.9 | Very low | 26.6 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -143.6 | 147.8 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 165 | L | 27.5 | Very low | 26.6 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -135 | 122.7 | 161.7 | -60.6 | 171.9 | 0 | 0 | 0 | 105.5 | ||||
| 166 | L | 29.7 | Very low | 26.6 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | cis | 70.2 | 132 | 45.6 | -57.6 | 177.9 | 0 | 0 | 0 | 113.2 | ||||
| 167 | N | 28.3 | Very low | 26.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -164.6 | -169.3 | -18.6 | -160.2 | 57.6 | 0 | 0 | 0 | 110.2 | ||||
| 168 | D | 25.7 | Very low | 26.8 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 83.2 | 143.3 | 161 | -54.8 | -29.4 | 0 | 0 | 0 | 119 | ||||
| 169 | G | 28.1 | Very low | 27.1 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | cis | 173.2 | 126.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 170 | A | 28.3 | Very low | 27.8 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 76.4 | 134.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 171 | K | 29.5 | Very low | 28 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 92.8 | 104 | 141.1 | -73 | 162 | -177.8 | 177.2 | 0 | 124.8 | ||||
| 172 | N | 23.7 | Very low | 28.1 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 65.8 | 153.3 | 118.7 | -70.9 | 24.8 | 0 | 0 | 0 | 126.5 | |||||
| 173 | F | 25.8 | Very low | 28.1 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 79.3 | 148.1 | 170.7 | -64.9 | -85.9 | 0 | 0 | 0 | 118.2 | ||||
| 174 | S | 25.3 | Very low | 27.8 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | cis | -176.5 | 137.8 | -36.4 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 175 | H | 26.5 | Very low | 27.9 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | 62.6 | 153.7 | 172.5 | -88.9 | -108.1 | 0 | 0 | 0 | 116.5 | ||||
| 176 | S | 25.7 | Very low | 27.9 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -154.5 | 138.5 | -0.8 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 177 | T | 26.4 | Very low | 28.2 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 42.9 | 100.1 | 146 | 58.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 178 | H | 30.5 | Very low | 28.4 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | -167.9 | 146.1 | 117.7 | -122 | -85.6 | 0 | 0 | 0 | 112.2 | |||||
| 179 | D | 30.3 | Very low | 28.5 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -107.8 | 165.3 | -179.5 | -84.1 | -56.7 | 0 | 0 | 0 | 112 | ||||
| 180 | P | 38.6 | Very low | 28.6 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -137.5 | -157.5 | -27.6 | 34.6 | -13.4 | 0 | 0 | 0 | 112.5 | ||||
| 181 | V | 30.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 94.1 | 136.6 | 166.7 | -168.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 182 | N | 28.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 71.4 | 100.1 | 175.1 | -85.2 | 3.5 | 0 | 0 | 0 | 119.8 | ||||
| 183 | S | 24.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -149.5 | 155.1 | 151.2 | 74.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 184 | S | 24.9 | Very low | 29.2 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -137.2 | -175.6 | 1.6 | -62.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 185 | T | 27.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | cis | -152.2 | 157.1 | 30.1 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 186 | S | 27.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -77.1 | 155 | 164.2 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 187 | S | 35.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -52 | 138.1 | 169.5 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 188 | L | 31.8 | Very low | 29.6 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 176.7 | 58.9 | 141.6 | -99.3 | 171 | 0 | 0 | 0 | 112.3 | ||||
| 189 | F | 28.6 | Very low | 29.5 | Very low | 220 Ų | 220 | 136.7 Ų | 136.7 | 97% | 0.965 | 81% | 0.805 | S | S | * | * | trans | -162.5 | 83.7 | 165.1 | -95.3 | -63.3 | 0 | 0 | 0 | 110.4 | ||||
| 190 | S | 29.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 35.1 | -175.3 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 191 | D | 30.6 | Very low | 28.8 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -133.2 | 74.5 | 177.5 | -84.5 | -58.8 | 0 | 0 | 0 | 112.3 | ||||
| 192 | F | 29.9 | Very low | 28.7 | Very low | 218 Ų | 218 | 151.8 Ų | 151.8 | 96% | 0.956 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -160.2 | 35.6 | 157.1 | -119.2 | -71.4 | 0 | 0 | 0 | 113.1 | ||
| 193 | G | 32.6 | Very low | 28.8 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -119.3 | 11.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L195 | G193-L195 PolarHBondContact O-N 2.88Š| ||
| 194 | A | 27.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -95 | 49.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 195 | L | 30 | Very low | 29.5 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | trans | -136.5 | 66.9 | 163.8 | -77.6 | -177.8 | 0 | 0 | 0 | 111.8 | G193 | G193-L195 PolarHBondContact O-N 2.88Š| ||
| 196 | S | 26.6 | Very low | 29.8 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 65% | 0.65 | 82% | 0.823 | S | S | * | * | trans | -124 | 108.5 | 163.5 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | S198 | S196-S198 PolarHBondContact O-N 2.84Å; S196-S198 PolarHBondContact OG-OG 3.25Å | ||
| 197 | I | 29.6 | Very low | 30 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -82.4 | 63.8 | -175.7 | -159 | 161.4 | 0 | 0 | 0 | 111.4 | Q199 | I197-Q199 VanDerWaalsContact C-N 3.31Å; I197-Q199 PolarHBondContact O-N 2.87Å | ||
| 198 | S | 26 | Very low | 29.7 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -77.3 | 71.5 | -176 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | S196 R200 | S196-S198 PolarHBondContact O-N 2.84Å; S196-S198 PolarHBondContact OG-OG 3.25Å; S198-R200 PolarHBondContact O-N 3.42Å | ||
| 199 | Q | 27.4 | Very low | 29.6 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -73.9 | 95.6 | -178.8 | -150.7 | 172.5 | 20.5 | 0 | 0 | 111.3 | I197 R201 | I197-Q199 VanDerWaalsContact C-N 3.31Å; I197-Q199 PolarHBondContact O-N 2.87Å; Q199-R201 PolarHBondContact O-N 3.11Å | ||
| 200 | R | 26.9 | Very low | 29.5 | Very low | 242 Ų | 242 | 145.2 Ų | 145.2 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60 | 127.6 | 176.6 | -94.7 | -174.7 | 172.4 | -178.4 | -1.3 | 111.3 | S198 K202 | S198-R200 PolarHBondContact O-N 3.42Å; R200-K202 PolarHBondContact O-N 3.47Å |
| 201 | R | 28.9 | Very low | 29.3 | Very low | 251 Ų | 251 | 148.8 Ų | 148.8 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.9 | 170.5 | -63.3 | 177.4 | 178.2 | 176.1 | -3.3 | 110.6 | Q199 | Q199-R201 PolarHBondContact O-N 3.11Š|
| 202 | K | 28 | Very low | 29.2 | Very low | 204 Ų | 204 | 148 Ų | 148 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96 | 150.9 | 154.4 | -87.2 | -175.4 | 172.9 | -179.2 | 0 | 108.5 | R200 | R200-K202 PolarHBondContact O-N 3.47Š|
| 203 | A | 29.3 | Very low | 29.1 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 204 | P | 32.3 | Very low | 28.8 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 153.7 | 177.3 | 31.5 | -35.1 | 0 | 0 | 0 | 112.6 | ||
| 205 | N | 33.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 66% | 0.658 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 124.8 | -179.6 | -176.8 | 42.9 | 0 | 0 | 0 | 110.8 | T207 | N205-T207 VanDerWaalsContact C-N 3.27Å; N205-T207 PolarHBondContact ND2-OG1 3.24Å; N205-T207 PolarHBondContact O-N 2.86Å |
| 206 | P | 33.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 39.5 | -164.7 | 35.5 | -39.1 | 0 | 0 | 0 | 115.2 | ||
| 207 | T | 32.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | 21.5 | -177.5 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | N205 | N205-T207 VanDerWaalsContact C-N 3.27Å; N205-T207 PolarHBondContact ND2-OG1 3.24Å; N205-T207 PolarHBondContact O-N 2.86Å |
| 208 | A | 27.7 | Very low | 29.4 | Very low | 97 Ų | 97 | 149.2 Ų | 149.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -94.8 | 107.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 209 | S | 30.8 | Very low | 29.4 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -75 | 143.8 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 210 | E | 26.3 | Very low | 29.4 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -60.1 | 141.1 | 171.3 | -173.5 | 173.4 | -150.7 | 0 | 0 | 111.8 | ||||
| 211 | F | 25.9 | Very low | 29.4 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 80% | 0.803 | 82% | 0.817 | S | S | * | * | trans | -124.9 | 120.9 | -178.4 | -170.7 | -98.2 | 0 | 0 | 0 | 112.8 | P213 | F211-P213 HydrophobicContact CE1-CB 4.48Š| ||
| 212 | I | 28.9 | Very low | 29.2 | Very low | 134 Ų | 134 | 140 Ų | 140 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | trans | -110 | 125.3 | -179.6 | -59.5 | 170 | 0 | 0 | 0 | 108.6 | K214 | I212-K214 PolarHBondContact O-N 3.49Š| ||
| 213 | P | 27.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -86.7 | 105.1 | -171.4 | 32.1 | -34.4 | 0 | 0 | 0 | 113.5 | F211 | F211-P213 HydrophobicContact CE1-CB 4.48Š| ||
| 214 | K | 26.1 | Very low | 29.1 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -149.8 | 133.7 | 161 | -75 | -166 | 177.8 | 178.2 | 0 | 113.3 | I212 | I212-K214 PolarHBondContact O-N 3.49Š| ||
| 215 | G | 25.1 | Very low | 28.8 | Very low | 82 Ų | 82 | 142 Ų | 142 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 87.2 | 112.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 216 | A | 27.9 | Very low | 28.5 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -94 | -174.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | P | 45.4 | Very low | 28.2 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | cis | -135.6 | 175.5 | -4.9 | 42.3 | -26.7 | 0 | 0 | 0 | 115.2 | ||||
| 218 | R | 27.1 | Very low | 28 | Very low | 253 Ų | 253 | 145 Ų | 145 | 96% | 0.955 | 84% | 0.838 | S | S | * | * | trans | -163.5 | 146.8 | 142.4 | -110.3 | 166.9 | -171.3 | -163.7 | 0.8 | 111.2 | ||||
| 219 | M | 27.1 | Very low | 28.4 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -104.8 | 151.8 | -175.5 | -66.4 | -156.9 | -63.8 | 0 | 0 | 113.4 | ||||
| 220 | A | 26.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -158.6 | 134.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 221 | A | 27 | Very low | 28.8 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | 63.2 | 143.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 222 | M | 25.3 | Very low | 29.1 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -117.6 | 154.6 | 173.4 | -67.7 | 172.4 | 150.8 | 0 | 0 | 110.9 | ||||
| 223 | T | 26.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 141 Ų | 141 | 93% | 0.933 | 83% | 0.828 | S | S | * | * | trans | -146.9 | 157 | 149 | 28.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 224 | Q | 28.3 | Very low | 29.5 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | trans | -99.9 | 156 | -163.3 | -62.3 | 168.5 | -23 | 0 | 0 | 114.4 | ||||
| 225 | S | 26.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | -159.5 | 156.3 | 152.3 | -78.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 226 | A | 26.4 | Very low | 29.4 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | -104.3 | 170.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 227 | I | 27.5 | Very low | 29.6 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 75% | 0.749 | 84% | 0.838 | S | S | * | * | trans | -119.3 | 139.6 | -177.2 | -60.2 | 163.8 | 0 | 0 | 0 | 110 | ||||
| 228 | Q | 27.8 | Very low | 29.4 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 84% | 0.842 | S | S | * | * | trans | -156.8 | 150.9 | 138.2 | -87.5 | -39.6 | -76.7 | 0 | 0 | 112.3 | ||||
| 229 | P | 36.1 | Very low | 29.2 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 58% | 0.584 | 83% | 0.826 | S | S | * | * | trans | -115.6 | -172.9 | -177.7 | 44 | -34 | 0 | 0 | 0 | 113.7 | ||||
| 230 | F | 25.3 | Very low | 29.2 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 82% | 0.82 | 83% | 0.829 | S | S | * | * | trans | 146.6 | 167.6 | 150.7 | -88.3 | -57.8 | 0 | 0 | 0 | 112 | ||||
| 231 | P | 41.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | cis | -132.3 | 177.6 | -25.7 | 35.5 | -18.1 | 0 | 0 | 0 | 114.6 | ||||
| 232 | S | 32.3 | Very low | 29 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -103.7 | 153.7 | 160 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 233 | P | 38.6 | Very low | 28.9 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -96.3 | 156 | 171.5 | 35.9 | -32.3 | 0 | 0 | 0 | 114.1 | ||||
| 234 | L | 25.7 | Very low | 28.8 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -123.9 | 153.1 | 174.5 | -77.4 | 163.9 | 0 | 0 | 0 | 110.1 | ||||
| 235 | F | 25.4 | Very low | 28.7 | Very low | 220 Ų | 220 | 130.5 Ų | 130.5 | 97% | 0.965 | 82% | 0.817 | S | S | * | * | trans | -153 | 164.6 | 156.5 | -92.5 | -67.8 | 0 | 0 | 0 | 111.1 | ||||
| 236 | A | 23.9 | Very low | 28.6 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -138.2 | 174.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 237 | H | 31.1 | Very low | 28.5 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 167.4 | -172.6 | -59 | -77.8 | 0 | 0 | 0 | 115.9 | ||||
| 238 | P | 41.1 | Very low | 28.3 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | -110.8 | -169.1 | 76.9 | -9.9 | 30.7 | 0 | 0 | 0 | 114.8 | |||||
| 239 | G | 24.3 | Very low | 28.6 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | cis | 158 | 148.5 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 240 | L | 26.5 | Very low | 28 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 99% | 0.99 | 82% | 0.822 | S | S | * | * | trans | 63.3 | 143.6 | -176.1 | -70.8 | 67.5 | 0 | 0 | 0 | 114.9 | ||||
| 241 | G | 24.2 | Very low | 28 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | cis | 147 | 139.2 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 242 | G | 24.8 | Very low | 27.1 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | cis | -177.4 | -143.3 | 2.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 243 | S | 24.4 | Very low | 26.8 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | 71.2 | 85.5 | 164.6 | -57.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 244 | T | 23.9 | Very low | 26.1 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | 36.4 | 122.9 | 126.9 | 58.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 245 | A | 24.9 | Very low | 26 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | -157.5 | 145.7 | 125.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 246 | A | 24.6 | Very low | 25.9 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -150.5 | 149.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 247 | L | 24.2 | Very low | 26 | Very low | 177 Ų | 177 | 119 Ų | 119 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | -174.6 | 160.2 | 154.6 | -104.9 | 169.8 | 0 | 0 | 0 | 110.7 | ||||
| 248 | A | 23.3 | Very low | 26 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 69% | 0.686 | 82% | 0.817 | S | S | * | * | trans | -148.7 | -169.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 249 | P | 33.8 | Very low | 25.5 | Very low | 125 Ų | 125 | 116 Ų | 116 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | cis | -128.8 | 174.5 | -16.5 | 39.2 | -23.1 | 0 | 0 | 0 | 114.5 | ||||
| 250 | G | 23.4 | Very low | 25.8 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | 10.7 | 148.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 251 | M | 26.1 | Very low | 25.8 | Very low | 184 Ų | 184 | 121.1 Ų | 121.1 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -136.4 | 146.9 | 149 | -78 | -156.8 | 74.6 | 0 | 0 | 110.7 | ||||
| 252 | S | 23.5 | Very low | 26 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | trans | -111.4 | 152.9 | 172.2 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | L | 25 | Very low | 26.5 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -136.4 | 125.3 | 170.5 | -72.7 | 177.5 | 0 | 0 | 0 | 110.1 | ||||
| 254 | S | 23 | Very low | 26.9 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -124.3 | 163.8 | -175.4 | -60.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | A | 25.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | 88.4 | 141.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 256 | G | 23.1 | Very low | 27.5 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 110.7 | 131.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 257 | S | 26.1 | Very low | 27.8 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | cis | -160.1 | 151.9 | -8.6 | -76 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 258 | S | 30.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -127.8 | 129.9 | 170.1 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 259 | P | 31.2 | Very low | 28.5 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -84.9 | 133.8 | 170 | -5 | 23.4 | 0 | 0 | 0 | 111.4 | ||||
| 260 | L | 28.7 | Very low | 28.3 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -82.1 | 152.2 | 161.8 | -65.2 | 95.1 | 0 | 0 | 0 | 110.3 | ||||
| 261 | H | 26.6 | Very low | 28.6 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -158.1 | 159.9 | 130.6 | -107.6 | 74.7 | 0 | 0 | 0 | 110.3 | ||||
| 262 | S | 30.4 | Very low | 28.7 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -140.2 | 167.7 | -176.7 | 73 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 263 | P | 34.7 | Very low | 29 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | -147.7 | -175.9 | 77.2 | 38.9 | -19 | 0 | 0 | 0 | 116.1 | |||||
| 264 | K | 33.3 | Very low | 29.2 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -71 | 156.6 | -179.7 | -54 | 164.7 | -179.4 | 173.3 | 0 | 113.2 | ||||
| 265 | I | 28.5 | Very low | 29.4 | Very low | 163 Ų | 163 | 142 Ų | 142 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | -163.1 | 141.7 | 128.3 | -94.6 | 144.7 | 0 | 0 | 0 | 108.5 | |||||
| 266 | T | 32.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | -126.1 | 149 | 162.4 | 50.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 267 | P | 29.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | -128.3 | 169.7 | 120.6 | 36.8 | -31.2 | 0 | 0 | 0 | 112.5 | |||||
| 268 | H | 35.8 | Very low | 29.8 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -89.5 | -179 | -174.6 | -68 | -105.3 | 0 | 0 | 0 | 112.8 | ||||
| 269 | T | 28.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 151 Ų | 151 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | 85.6 | 86.1 | 168.8 | 70.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 270 | S | 28.8 | Very low | 29.6 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -164.9 | 141.4 | 141.3 | -83 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 271 | P | 29.4 | Very low | 29.7 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 140.8 | 179.8 | -19.2 | 33.1 | 0 | 0 | 0 | 113.2 | ||
| 272 | A | 27.5 | Very low | 30 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 130.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R274 | A272-R274 PolarHBondContact O-N 2.83Š|
| 273 | P | 30.9 | Very low | 30.1 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 121.7 | 176.5 | 28.4 | -33.3 | 0 | 0 | 0 | 111.5 | R275 | P273-R275 PolarHBondContact O-N 2.62Š|
| 274 | R | 29.9 | Very low | 29.9 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 98.7 | 171.2 | -100.8 | -180 | 161.5 | -178.9 | -5.2 | 110.3 | A272 R276 | A272-R274 PolarHBondContact O-N 2.83Å; R274-R276 VanDerWaalsContact C-N 3.32Å; R274-R276 PolarHBondContact O-N 3.34Å | ||
| 275 | R | 26.3 | Very low | 29.9 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 81 | 176.6 | -163.9 | -179.3 | -164.2 | -136.1 | 4.7 | 111.5 | P273 S277 | P273-R275 PolarHBondContact O-N 2.62Å; R275-S277 PolarHBondContact O-N 3.11Å; R275-S277 VanDerWaalsContact O-N 3.11Å | ||
| 276 | R | 27.6 | Very low | 30.1 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -65 | 103.7 | 165.5 | -77.5 | -176 | 173.9 | 173.1 | -1.5 | 108.9 | R274 H278 | R274-R276 VanDerWaalsContact C-N 3.32Å; R274-R276 PolarHBondContact O-N 3.34Å; R276-H278 PolarHBondContact O-N 3.25Å | ||
| 277 | S | 27.1 | Very low | 30 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 106.7 | 168 | 51 | 0 | 0 | 0 | 0 | 109.5 | R275 | R275-S277 PolarHBondContact O-N 3.11Å; R275-S277 VanDerWaalsContact O-N 3.11Å | ||
| 278 | H | 27.6 | Very low | 29.9 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -71.9 | 131.3 | 169.8 | -75.2 | -111 | 0 | 0 | 0 | 109.8 | R276 | R276-H278 PolarHBondContact O-N 3.25Š| ||
| 279 | T | 30.4 | Very low | 29.5 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -117.3 | 144.4 | 163.7 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 280 | P | 28.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 136.5 | 176.1 | -14.1 | 29.5 | 0 | 0 | 0 | 110.7 | ||||
| 281 | N | 30.9 | Very low | 29.6 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -109.8 | 124.7 | 177.4 | -168.3 | 43.2 | 0 | 0 | 0 | 110.7 | A283 | N281-A283 VanDerWaalsContact C-N 3.31Å; N281-A283 PolarHBondContact O-N 3.32Å | ||
| 282 | P | 33.1 | Very low | 29.6 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -81.7 | 69.1 | -174.4 | 33.7 | -36.6 | 0 | 0 | 0 | 112.7 | ||||
| 283 | A | 31.3 | Very low | 29.5 | Very low | 70 Ų | 70 | 146.7 Ų | 146.7 | 58% | 0.579 | 80% | 0.8 | S | S | * | * | trans | -108.1 | -10.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N281 Y285 | N281-A283 VanDerWaalsContact C-N 3.31Å; N281-A283 PolarHBondContact O-N 3.32Å; A283-Y285 VanDerWaalsContact C-N 3.29Å; A283-Y285 PolarHBondContact O-N 3.07Å; A283-Y285 VanDerWaalsContact O-N 3.15Å | ||
| 284 | N | 31.7 | Very low | 29.6 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 12.1 | -168.1 | -96 | 30.5 | 0 | 0 | 0 | 116.4 | ||
| 285 | Y | 32.5 | Very low | 29.5 | Very low | 216 Ų | 216 | 142 Ų | 142 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 15.9 | -167.5 | -76.9 | -71.5 | 0 | 0 | 0 | 116.1 | A283 | A283-Y285 VanDerWaalsContact C-N 3.29Å; A283-Y285 PolarHBondContact O-N 3.07Å; A283-Y285 VanDerWaalsContact O-N 3.15Å |
| 286 | M | 32.3 | Very low | 29.6 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -135.8 | 58.2 | 177.4 | -65.1 | -164.2 | 76.3 | 0 | 0 | 114.5 | ||||
| 287 | V | 31.3 | Very low | 30 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -136 | 120.1 | 162.6 | -176.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 288 | P | 27.2 | Very low | 30.5 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -77.6 | 121 | 167.6 | -9.4 | 26.4 | 0 | 0 | 0 | 110.2 | T290 | P288-T290 PolarHBondContact O-N 3.26Š| ||
| 289 | T | 28.1 | Very low | 31.3 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -72.4 | 94.4 | -179.1 | -44.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 290 | T | 28.6 | Very low | 32.1 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 134.8 | 159.4 | 48.7 | 0 | 0 | 0 | 0 | 110 | P288 | P288-T290 PolarHBondContact O-N 3.26Š| ||
| 291 | A | 30 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | -79.4 | 152.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 292 | A | 30.1 | Very low | 34 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 64.7 | 106 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 293 | D | 24.2 | Very low | 34.7 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | -141.9 | 162 | 109.7 | -155.7 | -5.6 | 0 | 0 | 0 | 109.8 | |||||
| 294 | Q | 33.9 | Very low | 35.2 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | trans | -104.8 | 88.1 | -172.2 | -69.3 | -171.7 | -5.9 | 0 | 0 | 113 | ||||
| 295 | G | 27.1 | Very low | 35.9 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | -96.8 | 129.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H297 | G295-H297 PolarHBondContact O-N 3.12Š| ||
| 296 | A | 29 | Very low | 36.9 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | -78.3 | 115.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I298 | A296-I298 PolarHBondContact O-N 3.16Š| ||
| 297 | H | 36.2 | Very low | 37.1 | Very low | 172 Ų | 172 | 116.6 Ų | 116.6 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | -68.7 | 117.2 | 169.8 | -73.8 | -82.4 | 0 | 0 | 0 | 110.8 | G295 I299 | G295-H297 PolarHBondContact O-N 3.12Å; H297-I299 PolarHBondContact O-N 3.38Å | ||
| 298 | I | 38.1 | Very low | 38.4 | Very low | 154 Ų | 154 | 113 Ų | 113 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -76.1 | 106.6 | 173.4 | -59.2 | 175.9 | 0 | 0 | 0 | 108.6 | A296 | A296-I298 PolarHBondContact O-N 3.16Š| ||
| 299 | I | 43.3 | Very low | 39.3 | Very low | 101 Ų | 101 | 113.1 Ų | 113.1 | 52% | 0.518 | 68% | 0.683 | S | S | . | * | trans | -88.2 | 113.3 | 174 | -58.6 | 172.7 | 0 | 0 | 0 | 108.3 | H297 F310 | H297-I299 PolarHBondContact O-N 3.38Å; I299-F310 HydrophobicContact CG2-CB 4.1Å; I299-F310 HydrophobicContact CG2-CD1 3.76Å; I299-F310 HydrophobicContact CG2-CG 4.39Å | ||
| 300 | Q | 48.3 | Very low | 40.5 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.7 | 169 | -76.2 | -171.2 | -10.8 | 0 | 0 | 110 | F310 Y311 | Q300-F310 WeakPolarHBondContact O-CA 3.22Å; Q300-Y311 PolarHBondContact N-O 3.17Å; Q300-Y311 PolarHBondContact O-N 3.01Å |
| 301 | K | 52.7 | Low | 41.2 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.609 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.1 | -177.3 | -178.2 | -165 | 179.7 | -167.6 | 0 | 108.9 | T308 Y309 F310 | K301-T308 HydrophobicContact CD-CG2 4.1Å; K301-T308 VanDerWaalsContact CE-CG2 3.41Å; K301-T308 HydrophobicContact CG-CG2 3.53Å; K301-Y309 WeakPolarHBondContact CA-O 3.36Å; K301-F310 HydrophobicContact CB-CD1 4.22Å; K301-F310 HydrophobicContact CB-CE1 4.27Å; K301-F310 HydrophobicContact CD-CE1 4.14Å; K301-F310 HydrophobicContact CG-CD1 4.13Å; K301-F310 HydrophobicContact CG-CE1 3.82Å |
| 302 | E | 45.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.523 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.3 | 176.3 | -165.6 | 175.4 | -179.6 | 0 | 0 | 109.9 | V304 Y309 Y311 | E302-V304 HydrophobicContact CG-CG2 4.24Å; E302-Y309 PolarHBondContact N-O 3.22Å; E302-Y309 PolarHBondContact O-N 2.86Å; E302-Y311 HydrophobicContact CB-CE2 4.23Å |
| 303 | T | 46.6 | Very low | 41.8 | Very low | 80 Ų | 80 | 114.8 Ų | 114.8 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.5 | -176.1 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | T307 T308 | T303-T307 CarbonylContact C-O 3.57Å; T303-T307 WeakPolarHBondContact CA-O 3.42Å; T303-T308 PolarHBondContact OG1-OG1 3.13Å |
| 304 | V | 43.3 | Very low | 42.4 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.527 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.1 | -177.5 | -175.6 | 0 | 0 | 0 | 0 | 109 | E302 G306 T307 | E302-V304 HydrophobicContact CG-CG2 4.24Å; V304-G306 PolarHBondContact O-N 2.88Å; V304-T307 PolarHBondContact N-O 3.41Å; V304-T307 PolarHBondContact O-N 3.5Å; V304-T307 VanDerWaalsContact O-N 3.1Å |
| 305 | G | 45.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 88% | 0.876 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.4 | 28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T307 | G305-T307 PolarHBondContact O-N 3.43Š|
| 306 | G | 54 | Low | 42.5 | Very low | 73 Ų | 73 | 112.2 Ų | 112.2 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.3 | -12.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V304 | V304-G306 PolarHBondContact O-N 2.88Š|
| 307 | T | 37 | Very low | 42.6 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.6 | 174.8 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | T303 V304 G305 Y309 | T303-T307 CarbonylContact C-O 3.57Å; T303-T307 WeakPolarHBondContact CA-O 3.42Å; V304-T307 PolarHBondContact N-O 3.41Å; V304-T307 PolarHBondContact O-N 3.5Å; V304-T307 VanDerWaalsContact O-N 3.1Å; G305-T307 PolarHBondContact O-N 3.43Å; T307-Y309 HydrophobicContact CG2-CD2 4.44Å; T307-Y309 HydrophobicContact CG2-CE1 4.22Å; T307-Y309 HydrophobicContact CG2-CE2 3.78Å |
| 308 | T | 57.8 | Low | 42.4 | Very low | 51 Ų | 51 | 110.8 Ų | 110.8 | 31% | 0.313 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.7 | 174.5 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | K301 T303 F310 | K301-T308 HydrophobicContact CD-CG2 4.1Å; K301-T308 VanDerWaalsContact CE-CG2 3.41Å; K301-T308 HydrophobicContact CG-CG2 3.53Å; T303-T308 PolarHBondContact OG1-OG1 3.13Å; T308-F310 HydrophobicContact CG2-CD2 4.42Å; T308-F310 HydrophobicContact CG2-CE1 4.19Å; T308-F310 HydrophobicContact CG2-CE2 3.91Å; T308-F310 HydrophobicContact CG2-CZ 3.8Å |
| 309 | Y | 46.3 | Very low | 42.5 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 46% | 0.459 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 142.2 | 172.5 | -61.5 | -84.9 | 0 | 0 | 0 | 109.9 | K301 E302 T307 | K301-Y309 WeakPolarHBondContact CA-O 3.36Å; E302-Y309 PolarHBondContact N-O 3.22Å; E302-Y309 PolarHBondContact O-N 2.86Å; T307-Y309 HydrophobicContact CG2-CD2 4.44Å; T307-Y309 HydrophobicContact CG2-CE1 4.22Å; T307-Y309 HydrophobicContact CG2-CE2 3.78Å |
| 310 | F | 52.2 | Low | 42.2 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 60% | 0.596 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.9 | 176 | -62.6 | -81.3 | 0 | 0 | 0 | 108.5 | I299 Q300 K301 T308 | I299-F310 HydrophobicContact CG2-CB 4.1Å; I299-F310 HydrophobicContact CG2-CD1 3.76Å; I299-F310 HydrophobicContact CG2-CG 4.39Å; Q300-F310 WeakPolarHBondContact O-CA 3.22Å; K301-F310 HydrophobicContact CB-CD1 4.22Å; K301-F310 HydrophobicContact CB-CE1 4.27Å; K301-F310 HydrophobicContact CD-CE1 4.14Å; K301-F310 HydrophobicContact CG-CD1 4.13Å; K301-F310 HydrophobicContact CG-CE1 3.82Å; T308-F310 HydrophobicContact CG2-CD2 4.42Å; T308-F310 HydrophobicContact CG2-CE1 4.19Å; T308-F310 HydrophobicContact CG2-CE2 3.91Å; T308-F310 HydrophobicContact CG2-CZ 3.8Å |
| 311 | Y | 43.4 | Very low | 42.2 | Very low | 121 Ų | 121 | 104.4 Ų | 104.4 | 48% | 0.475 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 121 | 178.4 | -61.1 | -73.3 | 0 | 0 | 0 | 109.8 | Q300 E302 | Q300-Y311 PolarHBondContact N-O 3.17Å; Q300-Y311 PolarHBondContact O-N 3.01Å; E302-Y311 HydrophobicContact CB-CE2 4.23Å |
| 312 | T | 40.2 | Very low | 41.8 | Very low | 106 Ų | 106 | 102.3 Ų | 102.3 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | trans | -103.4 | 111.5 | 168.6 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | N314 | T312-N314 PolarHBondContact O-N 3.04Š| ||
| 313 | D | 32.3 | Very low | 42.1 | Very low | 138 Ų | 138 | 101.6 Ų | 101.6 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | trans | -75.5 | 90.5 | -177.6 | -163.8 | -12.3 | 0 | 0 | 0 | 110.4 | T315 | D313-T315 WeakPolarHBondContact OD1-CG2 3.47Å; D313-T315 PolarHBondContact OD1-OG1 2.97Å; D313-T315 VanDerWaalsContact OD1-OG1 3.05Å | ||
| 314 | N | 36.8 | Very low | 42.2 | Very low | 146 Ų | 146 | 104 Ų | 104 | 78% | 0.781 | 61% | 0.611 | S | S | * | * | trans | -105.3 | 54.2 | -177.8 | -130.3 | 52.9 | 0 | 0 | 0 | 109.8 | T312 P316 | T312-N314 PolarHBondContact O-N 3.04Å; N314-P316 VanDerWaalsContact O-CD 3.32Å; N314-P316 WeakPolarHBondContact O-CD 3.49Å | ||
| 315 | T | 30.9 | Very low | 42.5 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 63% | 0.632 | 60% | 0.603 | S | S | * | * | trans | -69.2 | 113.9 | 171.5 | 28.7 | 0 | 0 | 0 | 0 | 109.7 | D313 V317 | D313-T315 WeakPolarHBondContact OD1-CG2 3.47Å; D313-T315 PolarHBondContact OD1-OG1 2.97Å; D313-T315 VanDerWaalsContact OD1-OG1 3.05Å; T315-V317 PolarHBondContact O-N 2.82Å | ||
| 316 | P | 32.6 | Very low | 42.4 | Very low | 123 Ų | 123 | 105.7 Ų | 105.7 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 116.6 | 178.2 | 29 | -32.7 | 0 | 0 | 0 | 109.5 | N314 | N314-P316 VanDerWaalsContact O-CD 3.32Å; N314-P316 WeakPolarHBondContact O-CD 3.49Å |
| 317 | V | 31.9 | Very low | 41.9 | Very low | 133 Ų | 133 | 108.3 Ų | 108.3 | 81% | 0.806 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133 | 166.2 | -169.7 | 0 | 0 | 0 | 0 | 107.7 | T315 | T315-V317 PolarHBondContact O-N 2.82Š|
| 318 | P | 32.3 | Very low | 42.1 | Very low | 110 Ų | 110 | 113.5 Ų | 113.5 | 71% | 0.714 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 157.1 | 174.5 | 26.3 | -34.9 | 0 | 0 | 0 | 111 | A320 | P318-A320 PolarHBondContact O-N 3.13Å; P318-A320 VanDerWaalsContact O-N 3.15Å |
| 319 | M | 40.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 113.3 Ų | 113.3 | 80% | 0.798 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 120.2 | 166.2 | -92.7 | -175.1 | 162.8 | 0 | 0 | 109.2 | ||
| 320 | A | 35.8 | Very low | 41.3 | Very low | 80 Ų | 80 | 117 Ų | 117 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 145.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P318 M322 E374 | P318-A320 PolarHBondContact O-N 3.13Å; P318-A320 VanDerWaalsContact O-N 3.15Å; A320-M322 PolarHBondContact O-N 3.13Å; A320-E374 WeakPolarHBondContact CB-OE2 3.44Å |
| 321 | G | 49.1 | Very low | 40.6 | Very low | 17 Ų | 17 | 115 Ų | 115 | 18% | 0.175 | 63% | 0.628 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 85.9 | -1.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | E374 | G321-E374 WeakPolarHBondContact CA-OE2 3.46Å; G321-E374 PolarHBondContact N-OE2 2.78Å |
| 322 | M | 43 | Very low | 40.7 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 47% | 0.473 | 64% | 0.638 | S | S | . | * | trans | -103 | 82.9 | 179.8 | -68 | -155.4 | 75.3 | 0 | 0 | 113.3 | A320 F324 | A320-M322 PolarHBondContact O-N 3.13Å; M322-F324 HydrophobicContact CB-CE2 3.96Å; M322-F324 HydrophobicContact CE-CE1 4.3Å; M322-F324 HydrophobicContact CE-CE2 4.24Å; M322-F324 HydrophobicContact CE-CZ 3.67Å; M322-F324 WeakPolarHBondContact O-CD2 3.35Å; M322-F324 PolarHBondContact O-N 3.33Å; M322-F324 HydrophobicContact SD-CZ 4.42Å | ||
| 323 | V | 53.3 | Low | 41.2 | Very low | 96 Ų | 96 | 111.1 Ų | 111.1 | 58% | 0.582 | 62% | 0.618 | S | S | * | * | trans | -79.2 | 111.3 | 169.2 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | D371 | V323-D371 HydrophobicContact CG2-CB 3.96Š| ||
| 324 | F | 48.1 | Very low | 41.9 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 58% | 0.575 | 60% | 0.599 | S | S | * | * | trans | -86.4 | 153.2 | 169.3 | -67.7 | -87.7 | 0 | 0 | 0 | 110.7 | M322 | M322-F324 HydrophobicContact CB-CE2 3.96Å; M322-F324 HydrophobicContact CE-CE1 4.3Å; M322-F324 HydrophobicContact CE-CE2 4.24Å; M322-F324 HydrophobicContact CE-CZ 3.67Å; M322-F324 WeakPolarHBondContact O-CD2 3.35Å; M322-F324 PolarHBondContact O-N 3.33Å; M322-F324 HydrophobicContact SD-CZ 4.42Å | ||
| 325 | P | 49.9 | Very low | 42.3 | Very low | 57 Ų | 57 | 104.1 Ų | 104.1 | 37% | 0.37 | 59% | 0.591 | S | S | . | * | trans | -58.3 | 142.4 | 178.4 | -23.6 | 33.6 | 0 | 0 | 0 | 112.8 | F327 I329 | P325-F327 HydrophobicContact CB-CD1 3.92Å; P325-F327 HydrophobicContact CB-CD2 4.25Å; P325-F327 HydrophobicContact CB-CE1 3.64Å; P325-F327 HydrophobicContact CB-CE2 3.97Å; P325-F327 HydrophobicContact CB-CG 4.23Å; P325-F327 HydrophobicContact CB-CZ 3.66Å; P325-F327 HydrophobicContact CG-CZ 4.23Å; P325-F327 PolarHBondContact O-N 2.83Å; P325-F327 VanDerWaalsContact O-N 3.13Å; P325-I329 HydrophobicContact CG-CD1 4.38Å | ||
| 326 | T | 42.3 | Very low | 43.1 | Very low | 151 Ų | 151 | 105.7 Ų | 105.7 | 93% | 0.926 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -73.8 | 3.6 | 177.8 | 48.9 | 0 | 0 | 0 | 0 | 114 | ||
| 327 | F | 44.6 | Very low | 44.1 | Very low | 128 Ų | 128 | 103.1 Ų | 103.1 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -117.1 | 155.8 | 178.1 | 58 | -100.6 | 0 | 0 | 0 | 111.7 | P325 I329 | P325-F327 HydrophobicContact CB-CD1 3.92Å; P325-F327 HydrophobicContact CB-CD2 4.25Å; P325-F327 HydrophobicContact CB-CE1 3.64Å; P325-F327 HydrophobicContact CB-CE2 3.97Å; P325-F327 HydrophobicContact CB-CG 4.23Å; P325-F327 HydrophobicContact CB-CZ 3.66Å; P325-F327 HydrophobicContact CG-CZ 4.23Å; P325-F327 PolarHBondContact O-N 2.83Å; P325-F327 VanDerWaalsContact O-N 3.13Å; F327-I329 HydrophobicContact CE2-CD1 4.48Å; F327-I329 HydrophobicContact CE2-CG1 4.16Å; F327-I329 PolarHBondContact O-N 3.33Å |
| 328 | H | 41.2 | Very low | 44.9 | Very low | 181 Ų | 181 | 99.8 Ų | 99.8 | 84% | 0.838 | 56% | 0.559 | S | S | * | * | trans | -75.4 | 107.2 | -174.8 | -66.2 | 20.5 | 0 | 0 | 0 | 111.7 | ||||
| 329 | I | 46.8 | Very low | 45.9 | Very low | 48 Ų | 48 | 103.3 Ų | 103.3 | 25% | 0.246 | 56% | 0.56 | C | S | . | * | trans | -78.5 | 138.2 | 150.9 | -65.8 | 172.5 | 0 | 0 | 0 | 106.8 | P325 F327 I360 L364 | P325-I329 HydrophobicContact CG-CD1 4.38Å; F327-I329 HydrophobicContact CE2-CD1 4.48Å; F327-I329 HydrophobicContact CE2-CG1 4.16Å; F327-I329 PolarHBondContact O-N 3.33Å; I329-I360 HydrophobicContact CG2-CG2 4.27Å; I329-L364 HydrophobicContact CD1-CD2 3.51Å; I329-L364 HydrophobicContact CG2-CD2 4.32Å | ||
| 330 | Y | 40.3 | Very low | 46 | Very low | 193 Ų | 193 | 101.8 Ų | 101.8 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | trans | -43.2 | 122.8 | -168.6 | -76.3 | -91.2 | 0 | 0 | 0 | 113.3 | ||||
| 331 | P | 37 | Very low | 46.4 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -62 | 145.1 | 178.8 | 26.1 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 332 | P | 46.4 | Very low | 46.4 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 153.1 | 176.9 | 27.4 | -34.7 | 0 | 0 | 0 | 111 | A334 | P332-A334 PolarHBondContact O-N 3.31Å; P332-A334 VanDerWaalsContact O-N 3.11Å |
| 333 | T | 50.6 | Low | 46.5 | Very low | 39 Ų | 39 | 114.4 Ų | 114.4 | 24% | 0.239 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -51.4 | 117.8 | 176.2 | -50.5 | 0 | 0 | 0 | 0 | 109.4 | V337 A338 D353 R356 | T333-V337 HydrophobicContact CG2-CB 3.85Å; T333-V337 HydrophobicContact CG2-CG1 3.76Å; T333-A338 HydrophobicContact CG2-CB 4.34Å; T333-D353 PolarHBondContact OG1-OD2 3.29Å; T333-R356 PolarHBondContact OG1-NH2 3.38Å |
| 334 | A | 45.6 | Very low | 46.1 | Very low | 40 Ų | 40 | 114.7 Ų | 114.7 | 33% | 0.331 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 144 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P332 H336 V337 A338 | P332-A334 PolarHBondContact O-N 3.31Å; P332-A334 VanDerWaalsContact O-N 3.11Å; A334-H336 VanDerWaalsContact C-N 3.25Å; A334-H336 PolarHBondContact O-N 3.32Å; A334-V337 HydrophobicContact CB-CG2 4.38Å; A334-V337 WeakPolarHBondContact O-CA 3.43Å; A334-V337 WeakPolarHBondContact O-CB 3.3Å; A334-V337 PolarHBondContact O-N 2.97Å; A334-A338 PolarHBondContact O-N 3.35Å |
| 335 | P | 45.5 | Very low | 46.1 | Very low | 96 Ų | 96 | 116 Ų | 116 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.2 | -36.6 | -169.4 | -30 | 35.7 | 0 | 0 | 0 | 114.6 | V337 A338 Y339 | P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 3.26Å; P335-A338 PolarHBondContact O-N 2.89Å; P335-Y339 WeakPolarHBondContact O-CD2 3.12Å; P335-Y339 PolarHBondContact O-N 3.47Å; P335-Y339 VanDerWaalsContact O-N 3.14Å |
| 336 | H | 49 | Very low | 46.1 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.7 | -26.1 | 176.9 | 64.9 | -92.4 | 0 | 0 | 0 | 113.5 | A334 M340 | A334-H336 VanDerWaalsContact C-N 3.25Å; A334-H336 PolarHBondContact O-N 3.32Å; H336-M340 WeakPolarHBondContact O-CG 3.27Å; H336-M340 PolarHBondContact O-N 2.98Å |
| 337 | V | 54 | Low | 46.9 | Very low | 69 Ų | 69 | 112.8 Ų | 112.8 | 42% | 0.418 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -82.3 | -37.5 | 173 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | T333 A334 P335 Y339 M340 | T333-V337 HydrophobicContact CG2-CB 3.85Å; T333-V337 HydrophobicContact CG2-CG1 3.76Å; A334-V337 HydrophobicContact CB-CG2 4.38Å; A334-V337 WeakPolarHBondContact O-CA 3.43Å; A334-V337 WeakPolarHBondContact O-CB 3.3Å; A334-V337 PolarHBondContact O-N 2.97Å; P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 3.26Å; V337-Y339 PolarHBondContact O-N 3.39Å; V337-M340 WeakPolarHBondContact O-CB 3.46Å; V337-M340 PolarHBondContact O-N 3.39Å |
| 338 | A | 48.3 | Very low | 48.2 | Very low | 62 Ų | 62 | 110.6 Ų | 110.6 | 51% | 0.512 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.3 | -25.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | T333 A334 P335 | T333-A338 HydrophobicContact CG2-CB 4.34Å; A334-A338 PolarHBondContact O-N 3.35Å; P335-A338 PolarHBondContact O-N 2.89Å |
| 339 | Y | 52.2 | Low | 49.8 | Very low | 185 Ų | 185 | 104.5 Ų | 104.5 | 73% | 0.725 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -0.9 | 172.5 | -58.6 | -56.6 | 0 | 0 | 0 | 114.3 | P335 V337 Q341 | P335-Y339 WeakPolarHBondContact O-CD2 3.12Å; P335-Y339 PolarHBondContact O-N 3.47Å; P335-Y339 VanDerWaalsContact O-N 3.14Å; V337-Y339 PolarHBondContact O-N 3.39Å; Y339-Q341 PolarHBondContact O-N 2.94Å |
| 340 | M | 42.7 | Very low | 51.3 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -70.5 | 103.4 | 165.9 | -88.2 | -178.4 | 64 | 0 | 0 | 108.5 | H336 V337 P342 | H336-M340 WeakPolarHBondContact O-CG 3.27Å; H336-M340 PolarHBondContact O-N 2.98Å; V337-M340 WeakPolarHBondContact O-CB 3.46Å; V337-M340 PolarHBondContact O-N 3.39Å; M340-P342 VanDerWaalsContact O-CD 3.23Å; M340-P342 WeakPolarHBondContact O-CD 3.47Å; M340-P342 VanDerWaalsContact O-N 3.14Å |
| 341 | Q | 43.8 | Very low | 53.3 | Low | 170 Ų | 170 | 100 Ų | 100 | 79% | 0.794 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118 | 166.1 | -68.9 | -65.3 | -34.5 | 0 | 0 | 108.8 | Y339 | Y339-Q341 PolarHBondContact O-N 2.94Š|
| 342 | P | 50.5 | Low | 55.5 | Low | 101 Ų | 101 | 97.6 Ų | 97.6 | 66% | 0.656 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.4 | 169 | -20.8 | 33.4 | 0 | 0 | 0 | 108.6 | M340 A344 | M340-P342 VanDerWaalsContact O-CD 3.23Å; M340-P342 WeakPolarHBondContact O-CD 3.47Å; M340-P342 VanDerWaalsContact O-N 3.14Å; P342-A344 PolarHBondContact O-N 3.17Å; P342-A344 VanDerWaalsContact O-N 3.12Å |
| 343 | K | 45.5 | Very low | 57.1 | Low | 186 Ų | 186 | 95.7 Ų | 95.7 | 81% | 0.809 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 125.3 | 166 | -70.4 | -179.8 | 178.9 | 176.7 | 0 | 106.5 | N345 A346 | K343-N345 PolarHBondContact O-N 3Å; K343-A346 VanDerWaalsContact O-CB 3.29Å; K343-A346 WeakPolarHBondContact O-CB 3.47Å; K343-A346 PolarHBondContact O-N 2.82Å |
| 344 | A | 43.9 | Very low | 58.6 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 84% | 0.843 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -10.5 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P342 | P342-A344 PolarHBondContact O-N 3.17Å; P342-A344 VanDerWaalsContact O-N 3.12Å |
| 345 | N | 47.6 | Very low | 60.4 | Low | 160 Ų | 160 | 99.7 Ų | 99.7 | 86% | 0.856 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 14.5 | 178.5 | -56.3 | -9 | 0 | 0 | 0 | 113 | K343 | K343-N345 PolarHBondContact O-N 3Š|
| 346 | A | 50.6 | Low | 62.2 | Low | 61 Ų | 61 | 98.2 Ų | 98.2 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | trans | -76.1 | 125.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | K343 S348 | K343-A346 VanDerWaalsContact O-CB 3.29Å; K343-A346 WeakPolarHBondContact O-CB 3.47Å; K343-A346 PolarHBondContact O-N 2.82Å; A346-S348 PolarHBondContact O-N 3.46Å | ||
| 347 | P | 58.6 | Low | 63.9 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 51% | 0.506 | 52% | 0.521 | S | S | . | . | trans | -67.6 | 129.8 | -179.5 | 26 | -33.9 | 0 | 0 | 0 | 112.2 | F349 | P347-F349 HydrophobicContact CB-CE1 4.1Å; P347-F349 HydrophobicContact CB-CE2 4.28Å; P347-F349 HydrophobicContact CB-CZ 3.87Å; P347-F349 HydrophobicContact CG-CE1 4.17Å; P347-F349 HydrophobicContact CG-CE2 3.75Å; P347-F349 HydrophobicContact CG-CZ 3.44Å; P347-F349 VanDerWaalsContact CG-CZ 3.44Å; P347-F349 PolarHBondContact O-N 3.38Å | ||
| 348 | S | 73.1 | Confident | 65.3 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | trans | -87.9 | 93.7 | 175.4 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | A346 F350 | A346-S348 PolarHBondContact O-N 3.46Å; S348-F350 PolarHBondContact O-N 2.91Å; S348-F350 PolarHBondContact OG-O 3.43Å; S348-F350 VanDerWaalsContact OG-O 3.06Å | ||
| 349 | F | 73 | Confident | 67.1 | Low | 54 Ų | 54 | 96.2 Ų | 96.2 | 24% | 0.237 | 51% | 0.508 | C | S | . | . | trans | -71 | -10.4 | 176.9 | -57.1 | -66.9 | 0 | 0 | 0 | 114.3 | P347 N682 V741 | P347-F349 HydrophobicContact CB-CE1 4.1Å; P347-F349 HydrophobicContact CB-CE2 4.28Å; P347-F349 HydrophobicContact CB-CZ 3.87Å; P347-F349 HydrophobicContact CG-CE1 4.17Å; P347-F349 HydrophobicContact CG-CE2 3.75Å; P347-F349 HydrophobicContact CG-CZ 3.44Å; P347-F349 VanDerWaalsContact CG-CZ 3.44Å; P347-F349 PolarHBondContact O-N 3.38Å; F349-N682 PolarHBondContact O-ND2 2.85Å; F349-N682 PolarHBondContact O-OD1 3.3Å; F349-V741 HydrophobicContact CD1-CB 4.29Å; F349-V741 HydrophobicContact CD1-CG1 3.76Å; F349-V741 HydrophobicContact CD1-CG2 4.39Å; F349-V741 HydrophobicContact CE1-CB 4.24Å; F349-V741 HydrophobicContact CE1-CG1 3.88Å; F349-V741 HydrophobicContact CG-CG1 4.46Å; F349-V741 HydrophobicContact CG-CG2 4.31Å | ||
| 350 | F | 79.9 | Confident | 68.8 | Low | 108 Ų | 108 | 89.4 Ų | 89.4 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -120.2 | 161.5 | -176.5 | -56.8 | -69.4 | 0 | 0 | 0 | 111.7 | S348 N682 L737 | S348-F350 PolarHBondContact O-N 2.91Å; S348-F350 PolarHBondContact OG-O 3.43Å; S348-F350 VanDerWaalsContact OG-O 3.06Å; F350-N682 WeakPolarHBondContact CD1-ND2 3.5Å; F350-L737 HydrophobicContact CE2-CD2 3.61Å; F350-L737 HydrophobicContact CZ-CD2 3.84Å |
| 351 | M | 82.3 | Confident | 70.8 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 19% | 0.187 | 48% | 0.477 | C | S | . | . | trans | -49.2 | 145.2 | 169.3 | 179.5 | -179.7 | -71.8 | 0 | 0 | 112.8 | L355 R356 L359 D675 E679 | M351-L355 HydrophobicContact CE-CD2 4.35Å; M351-L355 HydrophobicContact CG-CB 4.28Å; M351-L355 HydrophobicContact CG-CD2 4.05Å; M351-L355 HydrophobicContact CG-CG 4.24Å; M351-L355 HydrophobicContact SD-CB 4.41Å; M351-L355 HydrophobicContact SD-CD2 4.05Å; M351-L355 HydrophobicContact SD-CG 3.92Å; M351-R356 HydrophobicContact CG-CB 4.47Å; M351-R356 HydrophobicContact SD-CB 4.28Å; M351-L359 HydrophobicContact CE-CD1 4Å; M351-L359 HydrophobicContact SD-CD1 3.66Å; M351-D675 HydrophobicContact CG-CB 4.21Å; M351-D675 WeakPolarHBondContact CG-OD2 3.42Å; M351-E679 HydrophobicContact CB-CG 4.49Å; M351-E679 HydrophobicContact CE-CG 3.97Å | ||
| 352 | A | 82.7 | Confident | 72.8 | Confident | 46 Ų | 46 | 84 Ų | 84 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | trans | -61.7 | 138.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E354 L355 R356 D675 | A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 3.43Å; A352-L355 PolarHBondContact O-N 3.04Å; A352-R356 PolarHBondContact O-N 3.48Å; A352-D675 PolarHBondContact N-OD2 3.28Å | ||
| 353 | D | 79.4 | Confident | 74.4 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -31.7 | -170.1 | -126.5 | 37.9 | 0 | 0 | 0 | 113.5 | T333 R356 Q357 | T333-D353 PolarHBondContact OG1-OD2 3.29Å; D353-R356 IonicContact OD1-CZ 3.09Å; D353-R356 IonicContact OD1-NE 3.34Å; D353-R356 PolarHBondContact OD1-NE 3.4Å; D353-R356 IonicContact OD1-NH2 3.8Å; D353-R356 PolarHBondContact OD1-NH2 3.42Å; D353-R356 IonicContact OD2-NH2 2.69Å; D353-R356 PolarHBondContact OD2-NH2 2.93Å; D353-R356 VanDerWaalsContact OD2-NH2 3.11Å; D353-Q357 VanDerWaalsContact O-CB 3.31Å; D353-Q357 WeakPolarHBondContact O-CB 3.47Å; D353-Q357 WeakPolarHBondContact O-CG 3.33Å; D353-Q357 PolarHBondContact O-N 3.15Å; D353-Q357 PolarHBondContact OD2-NE2 2.84Å |
| 354 | E | 81.4 | Confident | 76.4 | Confident | 124 Ų | 124 | 78.1 Ų | 78.1 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65 | -45.6 | 174.1 | -172.5 | -175.9 | -155.5 | 0 | 0 | 112 | A352 Q357 E358 K557 | A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 3.43Å; E354-Q357 PolarHBondContact O-N 2.89Å; E354-E358 PolarHBondContact O-N 2.76Å; E354-K557 WeakPolarHBondContact OE1-CE 3.36Å; E354-K557 IonicContact OE1-NZ 2.61Å; E354-K557 PolarHBondContact OE1-NZ 3.03Å; E354-K557 IonicContact OE2-NZ 3.59Å; E354-K557 PolarHBondContact OE2-NZ 3.11Å |
| 355 | L | 83.6 | Confident | 78.4 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 178.5 | 179.8 | 59.6 | 0 | 0 | 0 | 110.8 | M351 A352 Q357 E358 L359 D675 | M351-L355 HydrophobicContact CE-CD2 4.35Å; M351-L355 HydrophobicContact CG-CB 4.28Å; M351-L355 HydrophobicContact CG-CD2 4.05Å; M351-L355 HydrophobicContact CG-CG 4.24Å; M351-L355 HydrophobicContact SD-CB 4.41Å; M351-L355 HydrophobicContact SD-CD2 4.05Å; M351-L355 HydrophobicContact SD-CG 3.92Å; A352-L355 PolarHBondContact O-N 3.04Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.48Å; L355-E358 PolarHBondContact O-N 3.38Å; L355-L359 HydrophobicContact CD1-CD1 4.35Å; L355-L359 HydrophobicContact CD1-CG 4.31Å; L355-L359 HydrophobicContact CG-CD1 4.18Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 3.46Å; L355-D675 HydrophobicContact CD2-CB 4.23Å |
| 356 | R | 84.8 | Confident | 80.3 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.6 | -44 | 175.2 | -172.8 | -178 | 66.8 | 84.3 | -4.1 | 111.6 | T333 M351 A352 D353 L359 I360 | T333-R356 PolarHBondContact OG1-NH2 3.38Å; M351-R356 HydrophobicContact CG-CB 4.47Å; M351-R356 HydrophobicContact SD-CB 4.28Å; A352-R356 PolarHBondContact O-N 3.48Å; D353-R356 IonicContact OD1-CZ 3.09Å; D353-R356 IonicContact OD1-NE 3.34Å; D353-R356 PolarHBondContact OD1-NE 3.4Å; D353-R356 IonicContact OD1-NH2 3.8Å; D353-R356 PolarHBondContact OD1-NH2 3.42Å; D353-R356 IonicContact OD2-NH2 2.69Å; D353-R356 PolarHBondContact OD2-NH2 2.93Å; D353-R356 VanDerWaalsContact OD2-NH2 3.11Å; R356-L359 PolarHBondContact O-N 2.84Å; R356-I360 HydrophobicContact CG-CD1 4.01Å; R356-I360 VanDerWaalsContact O-CG1 3.3Å; R356-I360 WeakPolarHBondContact O-CG1 3.41Å; R356-I360 PolarHBondContact O-N 2.75Å |
| 357 | Q | 83.5 | Confident | 81.9 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 176.6 | -72 | 171.8 | 30.6 | 0 | 0 | 112.1 | D353 E354 L355 L359 I360 H361 | D353-Q357 VanDerWaalsContact O-CB 3.31Å; D353-Q357 WeakPolarHBondContact O-CB 3.47Å; D353-Q357 WeakPolarHBondContact O-CG 3.33Å; D353-Q357 PolarHBondContact O-N 3.15Å; D353-Q357 PolarHBondContact OD2-NE2 2.84Å; E354-Q357 PolarHBondContact O-N 2.89Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.48Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; Q357-L359 PolarHBondContact O-N 3.01Å; Q357-I360 PolarHBondContact O-N 3.4Å; Q357-H361 VanDerWaalsContact O-CB 3.27Å; Q357-H361 WeakPolarHBondContact O-CB 3.3Å; Q357-H361 PolarHBondContact O-N 2.92Å |
| 358 | E | 84.3 | Confident | 83 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 174 | -157.7 | -155.4 | 108.1 | 0 | 0 | 111.1 | E354 L355 R362 | E354-E358 PolarHBondContact O-N 2.76Å; L355-E358 PolarHBondContact O-N 3.38Å; E358-R362 WeakPolarHBondContact O-CB 3.27Å; E358-R362 WeakPolarHBondContact O-CD 3.49Å; E358-R362 WeakPolarHBondContact O-CG 3.47Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-R362 VanDerWaalsContact OE1-CD 3.23Å; E358-R362 WeakPolarHBondContact OE1-CD 3.48Å; E358-R362 IonicContact OE1-CZ 3.81Å; E358-R362 IonicContact OE1-NE 2.92Å; E358-R362 IonicContact OE1-NH1 3.35Å; E358-R362 PolarHBondContact OE1-NH1 3.18Å |
| 359 | L | 86.5 | Confident | 83.4 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 179.9 | -69.6 | 174.2 | 0 | 0 | 0 | 112.5 | M351 L355 R356 Q357 R362 H363 | M351-L359 HydrophobicContact CE-CD1 4Å; M351-L359 HydrophobicContact SD-CD1 3.66Å; L355-L359 HydrophobicContact CD1-CD1 4.35Å; L355-L359 HydrophobicContact CD1-CG 4.31Å; L355-L359 HydrophobicContact CG-CD1 4.18Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 3.46Å; R356-L359 PolarHBondContact O-N 2.84Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; Q357-L359 PolarHBondContact O-N 3.01Å; L359-R362 PolarHBondContact O-N 3.06Å; L359-H363 WeakPolarHBondContact O-CB 3.35Å; L359-H363 PolarHBondContact O-N 3.25Å |
| 360 | I | 87.3 | Confident | 83.7 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177 | -69.3 | 167.5 | 0 | 0 | 0 | 110.7 | I329 R356 Q357 R362 H363 L364 | I329-I360 HydrophobicContact CG2-CG2 4.27Å; R356-I360 HydrophobicContact CG-CD1 4.01Å; R356-I360 VanDerWaalsContact O-CG1 3.3Å; R356-I360 WeakPolarHBondContact O-CG1 3.41Å; R356-I360 PolarHBondContact O-N 2.75Å; Q357-I360 PolarHBondContact O-N 3.4Å; I360-R362 PolarHBondContact O-N 3.35Å; I360-H363 PolarHBondContact O-N 2.76Å; I360-L364 HydrophobicContact CG2-CD1 3.99Å; I360-L364 HydrophobicContact CG2-CG 4.48Å; I360-L364 WeakPolarHBondContact O-CG 3.45Å; I360-L364 PolarHBondContact O-N 2.7Å |
| 361 | H | 84.6 | Confident | 83.6 | Confident | 106 Ų | 106 | 66.5 Ų | 66.5 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 177.9 | 177.5 | 66.9 | 0 | 0 | 0 | 112.2 | Q357 L364 I365 | Q357-H361 VanDerWaalsContact O-CB 3.27Å; Q357-H361 WeakPolarHBondContact O-CB 3.3Å; Q357-H361 PolarHBondContact O-N 2.92Å; H361-L364 PolarHBondContact O-N 2.89Å; H361-I365 WeakPolarHBondContact NE2-CD1 3.41Å; H361-I365 WeakPolarHBondContact O-CG1 3.34Å; H361-I365 PolarHBondContact O-N 3.49Å |
| 362 | R | 85.4 | Confident | 83.3 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.3 | -31.1 | 178 | -68.7 | 172.6 | 64.3 | -147.4 | -18 | 112.4 | E358 L359 I360 T366 A479 | E358-R362 WeakPolarHBondContact O-CB 3.27Å; E358-R362 WeakPolarHBondContact O-CD 3.49Å; E358-R362 WeakPolarHBondContact O-CG 3.47Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-R362 VanDerWaalsContact OE1-CD 3.23Å; E358-R362 WeakPolarHBondContact OE1-CD 3.48Å; E358-R362 IonicContact OE1-CZ 3.81Å; E358-R362 IonicContact OE1-NE 2.92Å; E358-R362 IonicContact OE1-NH1 3.35Å; E358-R362 PolarHBondContact OE1-NH1 3.18Å; L359-R362 PolarHBondContact O-N 3.06Å; I360-R362 PolarHBondContact O-N 3.35Å; R362-T366 PolarHBondContact O-N 3.42Å; R362-T366 VanDerWaalsContact O-N 3.16Å; R362-T366 PolarHBondContact O-OG1 3.39Å; R362-A479 HydrophobicContact CB-CB 3.98Å; R362-A479 HydrophobicContact CG-CB 4.38Å; R362-A479 WeakPolarHBondContact CG-O 3.38Å; R362-A479 PolarHBondContact NE-O 3.22Å; R362-A479 VanDerWaalsContact O-CB 3.23Å; R362-A479 WeakPolarHBondContact O-CB 3.35Å |
| 363 | H | 85.3 | Confident | 82.8 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.2 | -48.8 | 170.9 | -175.4 | 60.5 | 0 | 0 | 0 | 111.4 | L359 I360 I365 T366 M367 | L359-H363 WeakPolarHBondContact O-CB 3.35Å; L359-H363 PolarHBondContact O-N 3.25Å; I360-H363 PolarHBondContact O-N 2.76Å; H363-I365 PolarHBondContact O-N 3.25Å; H363-T366 WeakPolarHBondContact O-CA 3.34Å; H363-T366 WeakPolarHBondContact O-CB 3.4Å; H363-T366 PolarHBondContact O-N 3.45Å; H363-M367 PolarHBondContact NE2-SD 3.44Å; H363-M367 VanDerWaalsContact NE2-SD 3.39Å; H363-M367 PolarHBondContact O-N 2.91Å |
| 364 | L | 87.4 | Confident | 82.3 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.8 | -48 | 175.3 | -74.3 | 166 | 0 | 0 | 0 | 112.4 | I329 I360 H361 T366 M367 A368 | I329-L364 HydrophobicContact CD1-CD2 3.51Å; I329-L364 HydrophobicContact CG2-CD2 4.32Å; I360-L364 HydrophobicContact CG2-CD1 3.99Å; I360-L364 HydrophobicContact CG2-CG 4.48Å; I360-L364 WeakPolarHBondContact O-CG 3.45Å; I360-L364 PolarHBondContact O-N 2.7Å; H361-L364 PolarHBondContact O-N 2.89Å; L364-T366 VanDerWaalsContact C-N 3.26Å; L364-T366 PolarHBondContact O-N 3.2Å; L364-M367 PolarHBondContact O-N 3.49Å; L364-A368 PolarHBondContact O-N 3.2Å |
| 365 | I | 85.4 | Confident | 81.9 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 175.8 | -74.3 | 172.2 | 0 | 0 | 0 | 112.1 | H361 H363 A368 K414 F477 A479 | H361-I365 WeakPolarHBondContact NE2-CD1 3.41Å; H361-I365 WeakPolarHBondContact O-CG1 3.34Å; H361-I365 PolarHBondContact O-N 3.49Å; H363-I365 PolarHBondContact O-N 3.25Å; I365-A368 WeakPolarHBondContact O-CB 3.29Å; I365-K414 WeakPolarHBondContact O-CE 3.21Å; I365-F477 HydrophobicContact CG2-CE1 4.23Å; I365-F477 HydrophobicContact CG2-CZ 3.77Å; I365-A479 HydrophobicContact CB-CB 4.14Å; I365-A479 HydrophobicContact CG2-CB 3.75Å |
| 366 | T | 86.3 | Confident | 81.5 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 29% | 0.288 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | R362 H363 L364 A368 K414 P423 A479 | R362-T366 PolarHBondContact O-N 3.42Å; R362-T366 VanDerWaalsContact O-N 3.16Å; R362-T366 PolarHBondContact O-OG1 3.39Å; H363-T366 WeakPolarHBondContact O-CA 3.34Å; H363-T366 WeakPolarHBondContact O-CB 3.4Å; H363-T366 PolarHBondContact O-N 3.45Å; L364-T366 VanDerWaalsContact C-N 3.26Å; L364-T366 PolarHBondContact O-N 3.2Å; T366-A368 VanDerWaalsContact C-N 3.34Å; T366-K414 WeakPolarHBondContact O-CD 3.46Å; T366-K414 VanDerWaalsContact O-CE 3.26Å; T366-K414 WeakPolarHBondContact O-CE 3.11Å; T366-K414 PolarHBondContact O-NZ 3.25Å; T366-P423 HydrophobicContact CG2-CB 4.23Å; T366-P423 HydrophobicContact CG2-CG 3.93Å; T366-A479 WeakPolarHBondContact OG1-CB 3.35Å |
| 367 | M | 84.4 | Confident | 81.3 | Confident | 87 Ų | 87 | 76 Ų | 76 | 43% | 0.429 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -78.6 | -9.2 | 177.5 | -64.9 | -168 | 78.7 | 0 | 0 | 114.7 | H363 L364 Q369 | H363-M367 PolarHBondContact NE2-SD 3.44Å; H363-M367 VanDerWaalsContact NE2-SD 3.39Å; H363-M367 PolarHBondContact O-N 2.91Å; L364-M367 PolarHBondContact O-N 3.49Å; M367-Q369 PolarHBondContact O-N 3.12Å |
| 368 | A | 82.6 | Confident | 81.3 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | trans | -55 | 136 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L364 I365 T366 F389 K414 | L364-A368 PolarHBondContact O-N 3.2Å; I365-A368 WeakPolarHBondContact O-CB 3.29Å; T366-A368 VanDerWaalsContact C-N 3.34Å; A368-F389 HydrophobicContact CB-CD1 4.32Å; A368-F389 HydrophobicContact CB-CD2 4.15Å; A368-F389 HydrophobicContact CB-CE1 4.23Å; A368-F389 HydrophobicContact CB-CE2 4.05Å; A368-F389 HydrophobicContact CB-CG 4.28Å; A368-F389 HydrophobicContact CB-CZ 4.09Å; A368-K414 WeakPolarHBondContact O-CE 3.38Å; A368-K414 PolarHBondContact O-NZ 3.36Å | ||
| 369 | Q | 81.1 | Confident | 81.5 | Confident | 126 Ų | 126 | 70.3 Ų | 70.3 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | trans | -130.8 | 155.6 | -179.9 | -71.2 | 178.2 | -5.3 | 0 | 0 | 109.9 | M367 | M367-Q369 PolarHBondContact O-N 3.12Š| ||
| 370 | I | 80.6 | Confident | 81.6 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 9% | 0.092 | 38% | 0.376 | C | S | . | . | trans | -82.2 | 138.4 | 173.9 | -70.1 | 176.1 | 0 | 0 | 0 | 109.1 | H372 N375 V378 L388 F389 P390 | I370-H372 PolarHBondContact O-N 3Å; I370-N375 HydrophobicContact CG2-CB 3.66Å; I370-V378 HydrophobicContact CD1-CB 3.86Å; I370-V378 HydrophobicContact CD1-CG1 3.61Å; I370-V378 HydrophobicContact CD1-CG2 4.04Å; I370-L388 WeakPolarHBondContact CD1-O 3.23Å; I370-L388 WeakPolarHBondContact CG1-O 3.4Å; I370-F389 HydrophobicContact CG1-CB 4.35Å; I370-F389 HydrophobicContact CG1-CD2 3.95Å; I370-P390 HydrophobicContact CD1-CG 4.17Å | ||
| 371 | D | 77.1 | Confident | 81.7 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | trans | -75.7 | 106 | 153.6 | -164.8 | -39.9 | 0 | 0 | 0 | 109.3 | V323 S373 E374 N375 | V323-D371 HydrophobicContact CG2-CB 3.96Å; D371-S373 PolarHBondContact O-N 3.21Å; D371-S373 VanDerWaalsContact OD1-CB 3.28Å; D371-S373 WeakPolarHBondContact OD1-CB 3.46Å; D371-S373 PolarHBondContact OD1-N 3.49Å; D371-S373 PolarHBondContact OD1-OG 2.95Å; D371-E374 PolarHBondContact O-N 2.81Å; D371-N375 PolarHBondContact O-N 3.11Å | ||
| 372 | H | 74.8 | Confident | 82.1 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 40% | 0.398 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.3 | -177.5 | -77.4 | -75.2 | 0 | 0 | 0 | 113.1 | I370 | I370-H372 PolarHBondContact O-N 3Š|
| 373 | S | 72.6 | Confident | 82.4 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -31.2 | 174.2 | 71 | 0 | 0 | 0 | 0 | 112.7 | D371 | D371-S373 PolarHBondContact O-N 3.21Å; D371-S373 VanDerWaalsContact OD1-CB 3.28Å; D371-S373 WeakPolarHBondContact OD1-CB 3.46Å; D371-S373 PolarHBondContact OD1-N 3.49Å; D371-S373 PolarHBondContact OD1-OG 2.95Å |
| 374 | E | 70.6 | Confident | 82.8 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -18.8 | 177.7 | -65.5 | -168.2 | -175.4 | 0 | 0 | 113.6 | A320 G321 D371 P376 | A320-E374 WeakPolarHBondContact CB-OE2 3.44Å; G321-E374 WeakPolarHBondContact CA-OE2 3.46Å; G321-E374 PolarHBondContact N-OE2 2.78Å; D371-E374 PolarHBondContact O-N 2.81Å; E374-P376 VanDerWaalsContact C-CD 3.46Å |
| 375 | N | 72.8 | Confident | 83.1 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | trans | -128.1 | 61.9 | -174.8 | -68 | -98 | 0 | 0 | 0 | 112.8 | I370 D371 D377 V378 | I370-N375 HydrophobicContact CG2-CB 3.66Å; D371-N375 PolarHBondContact O-N 3.11Å; N375-D377 PolarHBondContact O-N 3.09Å; N375-V378 HydrophobicContact CB-CG2 4.48Å; N375-V378 PolarHBondContact O-N 3.49Å | ||
| 376 | P | 74.8 | Confident | 83.5 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 68% | 0.675 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.7 | -177.2 | 28 | -36.5 | 0 | 0 | 0 | 114.1 | E374 V378 | E374-P376 VanDerWaalsContact C-CD 3.46Å; P376-V378 PolarHBondContact O-N 3.33Å |
| 377 | D | 79.4 | Confident | 83.6 | Confident | 139 Ų | 139 | 62 Ų | 62 | 74% | 0.743 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9.1 | 178.7 | -66 | -27.8 | 0 | 0 | 0 | 113.8 | N375 | N375-D377 PolarHBondContact O-N 3.09Š|
| 378 | V | 85.1 | Confident | 84 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -100.5 | 113.3 | 178.4 | -172 | 0 | 0 | 0 | 0 | 110 | I370 N375 P376 L388 L394 Y413 | I370-V378 HydrophobicContact CD1-CB 3.86Å; I370-V378 HydrophobicContact CD1-CG1 3.61Å; I370-V378 HydrophobicContact CD1-CG2 4.04Å; N375-V378 HydrophobicContact CB-CG2 4.48Å; N375-V378 PolarHBondContact O-N 3.49Å; P376-V378 PolarHBondContact O-N 3.33Å; V378-L388 HydrophobicContact CG1-CB 3.8Å; V378-L388 HydrophobicContact CG1-CD2 4.14Å; V378-L394 HydrophobicContact CG2-CD1 4.24Å; V378-Y413 HydrophobicContact CG1-CD1 4.39Å; V378-Y413 HydrophobicContact CG1-CE1 4.25Å; V378-Y413 HydrophobicContact CG2-CE1 4.33Å |
| 379 | P | 88.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 16% | 0.156 | 32% | 0.322 | C | S | . | . | trans | -64 | 145.7 | 178.4 | 27.4 | -35.3 | 0 | 0 | 0 | 111.5 | E381 V382 A465 F466 | P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 3.18Å; P379-V382 HydrophobicContact CB-CG2 4.25Å; P379-V382 HydrophobicContact CG-CG2 3.54Å; P379-A465 HydrophobicContact CB-CB 4.26Å; P379-A465 HydrophobicContact CG-CB 4.21Å; P379-F466 HydrophobicContact CG-CD1 3.58Å; P379-F466 HydrophobicContact CG-CE1 3.72Å; P379-F466 HydrophobicContact CG-CG 4.05Å; P379-F466 HydrophobicContact CG-CZ 4.3Å | ||
| 380 | S | 87.1 | Confident | 84.7 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 57% | 0.566 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -65.4 | -34.1 | 178.3 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | H386 S387 | S380-H386 WeakPolarHBondContact O-CA 3.28Å; S380-S387 PolarHBondContact O-N 3.11Å |
| 381 | E | 90 | Very high | 85 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.4 | -178.6 | -173.6 | 171.3 | -143 | 0 | 0 | 111.2 | P379 Y385 | P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 3.18Å; E381-Y385 CarbonylContact C-O 3.54Å; E381-Y385 VanDerWaalsContact CA-O 3.32Å; E381-Y385 WeakPolarHBondContact CA-O 3.32Å |
| 382 | V | 91.9 | Very high | 85.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 103.6 | -177.3 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | P379 S384 Y385 L388 F461 T463 A465 F466 | P379-V382 HydrophobicContact CB-CG2 4.25Å; P379-V382 HydrophobicContact CG-CG2 3.54Å; V382-S384 PolarHBondContact O-N 3.47Å; V382-Y385 PolarHBondContact N-O 3.03Å; V382-Y385 WeakPolarHBondContact O-CB 3.28Å; V382-Y385 PolarHBondContact O-N 2.76Å; V382-L388 HydrophobicContact CB-CD2 4.49Å; V382-L388 HydrophobicContact CG2-CD1 4.13Å; V382-L388 HydrophobicContact CG2-CD2 3.64Å; V382-F461 HydrophobicContact CG1-CE2 3.88Å; V382-F461 HydrophobicContact CG1-CZ 4.08Å; V382-T463 HydrophobicContact CG1-CG2 3.96Å; V382-A465 HydrophobicContact CG2-CB 4Å; V382-F466 HydrophobicContact CG1-CE2 3.87Å; V382-F466 HydrophobicContact CG1-CZ 4.41Å; V382-F466 HydrophobicContact CG2-CE1 4.45Å; V382-F466 HydrophobicContact CG2-CE2 3.92Å; V382-F466 HydrophobicContact CG2-CZ 3.84Å |
| 383 | D | 91.8 | Very high | 84.7 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -119.9 | -166.7 | -165.6 | -55.9 | 0 | 0 | 0 | 109.1 | Y385 F461 | D383-Y385 VanDerWaalsContact C-N 3.34Å; D383-Y385 PolarHBondContact O-N 3.03Å; D383-F461 HydrophobicContact CB-CD2 3.89Å; D383-F461 HydrophobicContact CB-CE2 3.55Å; D383-F461 HydrophobicContact CB-CZ 4.01Å |
| 384 | S | 93.6 | Very high | 84 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 26.8 | -176.7 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | V382 N417 S418 K419 | V382-S384 PolarHBondContact O-N 3.47Å; S384-N417 WeakPolarHBondContact O-CA 3.35Å; S384-N417 PolarHBondContact O-ND2 3.06Å; S384-S418 PolarHBondContact O-N 3.42Å; S384-S418 PolarHBondContact O-OG 2.92Å; S384-K419 VanDerWaalsContact CB-CE 3.47Å; S384-K419 VanDerWaalsContact CB-NZ 3.35Å; S384-K419 WeakPolarHBondContact OG-CE 3.5Å; S384-K419 PolarHBondContact OG-NZ 3.42Å |
| 385 | Y | 95.1 | Very high | 83.4 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.8 | -173.6 | -64.2 | -89.9 | 0 | 0 | 0 | 111.9 | E381 V382 D383 A415 V416 N417 Y424 L426 E459 F461 S474 | E381-Y385 CarbonylContact C-O 3.54Å; E381-Y385 VanDerWaalsContact CA-O 3.32Å; E381-Y385 WeakPolarHBondContact CA-O 3.32Å; V382-Y385 PolarHBondContact N-O 3.03Å; V382-Y385 WeakPolarHBondContact O-CB 3.28Å; V382-Y385 PolarHBondContact O-N 2.76Å; D383-Y385 VanDerWaalsContact C-N 3.34Å; D383-Y385 PolarHBondContact O-N 3.03Å; Y385-A415 HydrophobicContact CD1-CB 4.35Å; Y385-V416 CarbonylContact C-O 3.57Å; Y385-V416 VanDerWaalsContact CA-O 3.23Å; Y385-V416 WeakPolarHBondContact CA-O 3.27Å; Y385-N417 HydrophobicContact CD1-CB 3.87Å; Y385-N417 HydrophobicContact CE1-CB 3.73Å; Y385-N417 WeakPolarHBondContact CE1-ND2 3.13Å; Y385-N417 PolarHBondContact OH-ND2 3.33Å; Y385-Y424 HydrophobicContact CD1-CD2 4.41Å; Y385-Y424 AromaticContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CE2 4.46Å; Y385-Y424 HydrophobicContact CE1-CG 4.02Å; Y385-L426 HydrophobicContact CD1-CD1 4.39Å; Y385-L426 HydrophobicContact CD1-CD2 3.99Å; Y385-L426 HydrophobicContact CD2-CD1 4.34Å; Y385-L426 HydrophobicContact CD2-CD2 4.07Å; Y385-L426 HydrophobicContact CE1-CD2 3.96Å; Y385-L426 HydrophobicContact CE2-CD2 4.06Å; Y385-L426 HydrophobicContact CG-CD1 3.95Å; Y385-L426 HydrophobicContact CG-CD2 4.04Å; Y385-L426 HydrophobicContact CG-CG 4.5Å; Y385-E459 PolarHBondContact OH-OE2 3.09Å; Y385-F461 HydrophobicContact CD2-CE1 4.12Å; Y385-F461 HydrophobicContact CD2-CZ 4.08Å; Y385-F461 AromaticContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CZ 4.24Å; Y385-S474 WeakPolarHBondContact OH-CB 3.18Å; Y385-S474 PolarHBondContact OH-OG 3.23Å |
| 386 | H | 92.6 | Very high | 82.5 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 177.9 | -179.9 | 68.8 | 87 | 0 | 0 | 0 | 112.3 | S380 L388 V416 | S380-H386 WeakPolarHBondContact O-CA 3.28Å; H386-L388 VanDerWaalsContact C-N 3.34Å; H386-L388 PolarHBondContact O-N 3.13Å; H386-V416 PolarHBondContact N-O 3.14Å; H386-V416 PolarHBondContact O-N 3.33Å |
| 387 | S | 89.6 | Confident | 81.4 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53 | 49.6 | 176 | -59 | 0 | 0 | 0 | 0 | 112.7 | S380 | S380-S387 PolarHBondContact O-N 3.11Å |
| 388 | L | 91.6 | Very high | 79.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 146.4 | 176.7 | -80.2 | 72.2 | 0 | 0 | 0 | 110.7 | I370 V378 V382 H386 Y413 K414 A415 F466 | I370-L388 WeakPolarHBondContact CD1-O 3.23Å; I370-L388 WeakPolarHBondContact CG1-O 3.4Å; V378-L388 HydrophobicContact CG1-CB 3.8Å; V378-L388 HydrophobicContact CG1-CD2 4.14Å; V382-L388 HydrophobicContact CB-CD2 4.49Å; V382-L388 HydrophobicContact CG2-CD1 4.13Å; V382-L388 HydrophobicContact CG2-CD2 3.64Å; H386-L388 VanDerWaalsContact C-N 3.34Å; H386-L388 PolarHBondContact O-N 3.13Å; L388-Y413 HydrophobicContact CD2-CG 4.36Å; L388-K414 CarbonylContact C-O 3.6Å; L388-K414 VanDerWaalsContact CA-O 3.22Å; L388-K414 WeakPolarHBondContact CA-O 3.34Å; L388-A415 HydrophobicContact CD1-CB 4.13Å; L388-A415 HydrophobicContact CG-CB 4.13Å; L388-F466 HydrophobicContact CD2-CE1 3.94Å; L388-F466 HydrophobicContact CD2-CZ 3.78Å |
| 389 | F | 90.4 | Very high | 77.9 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 18% | 0.184 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 125.8 | 174.4 | -178.9 | -89.1 | 0 | 0 | 0 | 110.4 | A368 I370 L391 Y413 K414 | A368-F389 HydrophobicContact CB-CD1 4.32Å; A368-F389 HydrophobicContact CB-CD2 4.15Å; A368-F389 HydrophobicContact CB-CE1 4.23Å; A368-F389 HydrophobicContact CB-CE2 4.05Å; A368-F389 HydrophobicContact CB-CG 4.28Å; A368-F389 HydrophobicContact CB-CZ 4.09Å; I370-F389 HydrophobicContact CG1-CB 4.35Å; I370-F389 HydrophobicContact CG1-CD2 3.95Å; F389-L391 HydrophobicContact CD1-CD2 4.28Å; F389-L391 PolarHBondContact O-N 2.85Å; F389-Y413 CarbonylContact O-C 3.5Å; F389-Y413 WeakPolarHBondContact O-CA 3.12Å; F389-K414 HydrophobicContact CB-CB 4.31Å; F389-K414 PolarHBondContact N-O 2.61Å; F389-K414 PolarHBondContact O-N 2.71Å |
| 390 | P | 89.6 | Confident | 75.8 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.6 | -173.4 | -8.5 | 27.9 | 0 | 0 | 0 | 110.1 | I370 L394 Y413 | I370-P390 HydrophobicContact CD1-CG 4.17Å; P390-L394 HydrophobicContact CB-CD2 4.34Å; P390-L394 HydrophobicContact CB-CG 4.38Å; P390-Y413 HydrophobicContact CB-CD1 4.15Å; P390-Y413 HydrophobicContact CB-CE1 4.29Å; P390-Y413 HydrophobicContact CG-CD1 4.29Å; P390-Y413 HydrophobicContact CG-CE1 4.38Å |
| 391 | L | 86.8 | Confident | 73.9 | Confident | 68 Ų | 68 | 76.2 Ų | 76.2 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -98.4 | -9.8 | 180 | -67 | 166.7 | 0 | 0 | 0 | 112.8 | F389 C412 K414 F477 | F389-L391 HydrophobicContact CD1-CD2 4.28Å; F389-L391 PolarHBondContact O-N 2.85Å; L391-C412 WeakPolarHBondContact CD1-SG 3.39Å; L391-C412 PolarHBondContact N-O 2.91Å; L391-K414 HydrophobicContact CD1-CB 3.93Å; L391-K414 VanDerWaalsContact CD1-N 3.31Å; L391-K414 HydrophobicContact CD2-CB 4.28Å; L391-K414 HydrophobicContact CG-CB 4.18Å; L391-F477 HydrophobicContact CD1-CD2 4.21Å; L391-F477 HydrophobicContact CD1-CE2 3.61Å; L391-F477 HydrophobicContact CD2-CE2 4.09Å; L391-F477 HydrophobicContact CD2-CZ 4.33Å |
| 392 | E | 78.8 | Confident | 71.8 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -125.5 | 134.8 | 174.1 | -67.3 | 165.1 | 173 | 0 | 0 | 106.1 | L394 C412 R427 | E392-L394 PolarHBondContact O-N 3.19Å; E392-C412 PolarHBondContact OE2-N 3.21Å; E392-C412 VanDerWaalsContact OE2-N 3.08Å; E392-R427 IonicContact OE1-CZ 3.77Å; E392-R427 IonicContact OE1-NH1 2.91Å; E392-R427 PolarHBondContact OE1-NH1 3.28Å; E392-R427 VanDerWaalsContact OE1-NH1 3.09Å; E392-R427 IonicContact OE1-NH2 3.87Å; E392-R427 PolarHBondContact OE1-NH2 2.99Å; E392-R427 IonicContact OE2-CZ 3.8Å; E392-R427 IonicContact OE2-NH1 3.18Å; E392-R427 PolarHBondContact OE2-NH1 3.24Å; E392-R427 IonicContact OE2-NH2 2.82Å |
| 393 | P | 66.4 | Low | 70 | Confident | 128 Ų | 128 | 80.7 Ų | 80.7 | 83% | 0.831 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 129.9 | 176.4 | -26 | 34.6 | 0 | 0 | 0 | 110.7 | ||
| 394 | L | 58.4 | Low | 68.2 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 36% | 0.356 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 126.2 | -176.9 | -66.5 | 175.6 | 0 | 0 | 0 | 109.4 | V378 P390 E392 Y413 | V378-L394 HydrophobicContact CG2-CD1 4.24Å; P390-L394 HydrophobicContact CB-CD2 4.34Å; P390-L394 HydrophobicContact CB-CG 4.38Å; E392-L394 PolarHBondContact O-N 3.19Å; L394-Y413 HydrophobicContact CD2-CE1 4.12Å |
| 395 | P | 56.4 | Low | 66.8 | Low | 55 Ų | 55 | 83.6 Ų | 83.6 | 36% | 0.357 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 132.9 | -177.7 | 24.9 | -33 | 0 | 0 | 0 | 109.7 | I409 | P395-I409 HydrophobicContact CG-CG2 4.05Š|
| 396 | P | 54 | Low | 65.9 | Low | 84 Ų | 84 | 83.7 Ų | 83.7 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 138.2 | -177.2 | -26.3 | 34.1 | 0 | 0 | 0 | 111.6 | N398 R399 | P396-N398 PolarHBondContact O-N 3.46Å; P396-R399 CarbonylContact O-C 3.58Å; P396-R399 PolarHBondContact O-N 2.77Å |
| 397 | P | 52.8 | Low | 65.3 | Low | 118 Ų | 118 | 85 Ų | 85 | 77% | 0.766 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -31.7 | -170.9 | 18.8 | -31.8 | 0 | 0 | 0 | 113.5 | ||
| 398 | N | 43 | Very low | 65.1 | Low | 162 Ų | 162 | 87.4 Ų | 87.4 | 87% | 0.866 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.5 | 178.4 | -67.8 | -17.4 | 0 | 0 | 0 | 114.7 | P396 | P396-N398 PolarHBondContact O-N 3.46Š|
| 399 | R | 47.5 | Very low | 64.8 | Low | 172 Ų | 172 | 88.7 Ų | 88.7 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | trans | -123.4 | 74.3 | 171.3 | -78.6 | -168.3 | 178.2 | 173.9 | 3.2 | 110.8 | P396 Q401 | P396-R399 CarbonylContact O-C 3.58Å; P396-R399 PolarHBondContact O-N 2.77Å; R399-Q401 PolarHBondContact O-N 2.78Å | ||
| 400 | M | 45.2 | Very low | 64.7 | Low | 148 Ų | 148 | 87.2 Ų | 87.2 | 73% | 0.729 | 47% | 0.469 | S | S | * | . | trans | -66.1 | 58 | 167 | -66.3 | -175.4 | 76.4 | 0 | 0 | 112.7 | K402 I409 | M400-K402 PolarHBondContact O-N 3.25Å; M400-K402 VanDerWaalsContact O-N 3.07Å; M400-I409 HydrophobicContact CB-CD1 3.89Å; M400-I409 HydrophobicContact CE-CD1 3.72Å; M400-I409 HydrophobicContact CG-CD1 3.91Å | ||
| 401 | Q | 46.8 | Very low | 64.7 | Low | 153 Ų | 153 | 86 Ų | 86 | 72% | 0.715 | 46% | 0.461 | S | S | * | . | trans | -67.4 | 106.1 | 166.4 | -73.2 | -172.6 | -21.1 | 0 | 0 | 108 | R399 T403 | R399-Q401 PolarHBondContact O-N 2.78Å; Q401-T403 PolarHBondContact O-N 3.39Å | ||
| 402 | K | 46.6 | Very low | 64.9 | Low | 154 Ų | 154 | 83.2 Ų | 83.2 | 67% | 0.67 | 45% | 0.447 | S | S | * | . | trans | -51.2 | 127.7 | 168.7 | -66.7 | 178.8 | 176.7 | -176.7 | 0 | 108.1 | M400 S404 S407 | M400-K402 PolarHBondContact O-N 3.25Å; M400-K402 VanDerWaalsContact O-N 3.07Å; K402-S404 PolarHBondContact O-N 2.77Å; K402-S404 VanDerWaalsContact O-N 3.11Å; K402-S407 WeakPolarHBondContact CD-O 3.25Å | ||
| 403 | T | 52.9 | Low | 65.6 | Low | 45 Ų | 45 | 80.2 Ų | 80.2 | 28% | 0.276 | 43% | 0.433 | S | S | . | . | trans | -64.7 | 119.8 | 176 | 65.5 | 0 | 0 | 0 | 0 | 107.6 | Q401 N405 F406 S407 Y408 | Q401-T403 PolarHBondContact O-N 3.39Å; T403-N405 PolarHBondContact O-N 2.94Å; T403-F406 PolarHBondContact O-N 2.76Å; T403-F406 VanDerWaalsContact O-N 3.15Å; T403-S407 PolarHBondContact O-N 2.84Å; T403-Y408 PolarHBondContact N-O 2.84Å; T403-Y408 PolarHBondContact OG1-O 2.93Å | ||
| 404 | S | 53.9 | Low | 66.9 | Low | 112 Ų | 112 | 74.4 Ų | 74.4 | 78% | 0.783 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -35.1 | -163.7 | -170.8 | 0 | 0 | 0 | 0 | 113.3 | K402 | K402-S404 PolarHBondContact O-N 2.77Å; K402-S404 VanDerWaalsContact O-N 3.11Å |
| 405 | N | 64.2 | Low | 68.6 | Low | 56 Ų | 56 | 71.1 Ų | 71.1 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -36.8 | -171.3 | -55.7 | 24.2 | 0 | 0 | 0 | 112.6 | T403 D548 S550 F568 | T403-N405 PolarHBondContact O-N 2.94Å; N405-D548 PolarHBondContact ND2-OD1 2.63Å; N405-S550 PolarHBondContact ND2-OG 3.03Å; N405-F568 WeakPolarHBondContact O-CZ 3.49Å |
| 406 | F | 76.6 | Confident | 70.4 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -5.9 | -173.5 | -64 | -53.3 | 0 | 0 | 0 | 114.5 | T403 Y408 T410 V546 K551 C564 V567 F568 L571 | T403-F406 PolarHBondContact O-N 2.76Å; T403-F406 VanDerWaalsContact O-N 3.15Å; F406-Y408 VanDerWaalsContact O-CD2 3.27Å; F406-Y408 WeakPolarHBondContact O-CD2 3.22Å; F406-Y408 PolarHBondContact O-N 2.84Å; F406-T410 HydrophobicContact CB-CG2 4.37Å; F406-T410 HydrophobicContact CD2-CG2 3.9Å; F406-V546 HydrophobicContact CE1-CG1 4.04Å; F406-V546 HydrophobicContact CZ-CG1 4.34Å; F406-K551 HydrophobicContact CE2-CD 4.1Å; F406-K551 HydrophobicContact CZ-CD 4.03Å; F406-C564 HydrophobicContact CE2-CB 4.42Å; F406-C564 HydrophobicContact CZ-CB 3.74Å; F406-V567 HydrophobicContact CD1-CG1 3.73Å; F406-V567 HydrophobicContact CE1-CB 4Å; F406-V567 HydrophobicContact CE1-CG1 3.6Å; F406-V567 HydrophobicContact CG-CG1 4.35Å; F406-V567 HydrophobicContact CZ-CB 4.36Å; F406-V567 HydrophobicContact CZ-CG1 4.11Å; F406-F568 HydrophobicContact CD1-CD1 4.4Å; F406-F568 AromaticContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE2 4.15Å; F406-F568 AromaticContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CE1-CD2 4.29Å; F406-F568 HydrophobicContact CE1-CE1 4.42Å; F406-F568 AromaticContact CE1-CE2 3.9Å; F406-F568 HydrophobicContact CE1-CE2 3.9Å; F406-F568 AromaticContact CE1-CZ 3.98Å; F406-F568 HydrophobicContact CE1-CZ 3.98Å; F406-L571 HydrophobicContact CB-CD1 4.46Å |
| 407 | S | 80.7 | Confident | 72.3 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 63.3 | -13.8 | -172.6 | -59.6 | 0 | 0 | 0 | 0 | 116.4 | K402 T403 | K402-S407 WeakPolarHBondContact CD-O 3.25Å; T403-S407 PolarHBondContact O-N 2.84Å |
| 408 | Y | 84.1 | Confident | 74.2 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -98.5 | 168.8 | 170.3 | -64.6 | -86.6 | 0 | 0 | 0 | 111.7 | T403 F406 I429 F432 L571 | T403-Y408 PolarHBondContact N-O 2.84Å; T403-Y408 PolarHBondContact OG1-O 2.93Å; F406-Y408 VanDerWaalsContact O-CD2 3.27Å; F406-Y408 WeakPolarHBondContact O-CD2 3.22Å; F406-Y408 PolarHBondContact O-N 2.84Å; Y408-I429 HydrophobicContact CD1-CG2 4.18Å; Y408-I429 HydrophobicContact CD2-CG2 4.12Å; Y408-I429 HydrophobicContact CG-CG2 3.69Å; Y408-F432 HydrophobicContact CD1-CD2 4.48Å; Y408-F432 AromaticContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE2-CD2 4.13Å; Y408-F432 HydrophobicContact CE2-CE2 4.28Å; Y408-F432 AromaticContact CZ-CD2 3.64Å; Y408-F432 AromaticContact CZ-CE2 3.91Å; Y408-L571 HydrophobicContact CD2-CD1 3.96Å; Y408-L571 HydrophobicContact CD2-CD2 4.42Å; Y408-L571 HydrophobicContact CE2-CD1 4.31Å; Y408-L571 HydrophobicContact CE2-CD2 4.24Å |
| 409 | I | 85 | Confident | 76.6 | Confident | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.138 | 31% | 0.314 | C | S | . | . | trans | -81.5 | 137.1 | 163.3 | -61 | 172.7 | 0 | 0 | 0 | 107.7 | P395 M400 H430 | P395-I409 HydrophobicContact CG-CG2 4.05Å; M400-I409 HydrophobicContact CB-CD1 3.89Å; M400-I409 HydrophobicContact CE-CD1 3.72Å; M400-I409 HydrophobicContact CG-CD1 3.91Å; I409-H430 HydrophobicContact CB-CB 4.19Å; I409-H430 HydrophobicContact CG2-CB 4.47Å; I409-H430 PolarHBondContact O-CD2 3.29Å; I409-H430 PolarHBondContact O-N 3.47Å | ||
| 410 | T | 89.1 | Confident | 78.8 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.1 | 177.8 | 80.3 | 0 | 0 | 0 | 0 | 111.6 | F406 R427 R428 I429 | F406-T410 HydrophobicContact CB-CG2 4.37Å; F406-T410 HydrophobicContact CD2-CG2 3.9Å; T410-R427 PolarHBondContact OG1-NH1 3.47Å; T410-R428 WeakPolarHBondContact CA-O 3.42Å; T410-R428 WeakPolarHBondContact CB-O 3.35Å; T410-I429 HydrophobicContact CG2-CD1 3.48Å; T410-I429 VanDerWaalsContact CG2-CD1 3.48Å |
| 411 | S | 89.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 142.7 | 167.3 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | Y413 R427 R428 H430 | S411-Y413 WeakPolarHBondContact OG-CE2 3.36Å; S411-Y413 PolarHBondContact OG-OH 2.82Å; S411-R427 CarbonylContact O-C 3.52Å; S411-R427 WeakPolarHBondContact O-CA 3.48Å; S411-R428 PolarHBondContact N-O 2.9Å; S411-R428 VanDerWaalsContact N-O 3.11Å; S411-R428 PolarHBondContact O-N 2.7Å; S411-H430 PolarHBondContact OG-NE2 2.94Å |
| 412 | C | 91.4 | Very high | 83 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136 | 166.2 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L391 E392 C425 L426 | L391-C412 WeakPolarHBondContact CD1-SG 3.39Å; L391-C412 PolarHBondContact N-O 2.91Å; E392-C412 PolarHBondContact OE2-N 3.21Å; E392-C412 VanDerWaalsContact OE2-N 3.08Å; C412-C425 WeakPolarHBondContact CB-SG 3.48Å; C412-C425 WeakPolarHBondContact SG-CB 3.46Å; C412-C425 CovalentContact SG-SG 2.06Å; C412-C425 PolarHBondContact SG-SG 3.39Å; C412-L426 WeakPolarHBondContact CA-O 3.37Å |
| 413 | Y | 92.6 | Very high | 85.3 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.7 | 171.5 | -51.3 | -96.4 | 0 | 0 | 0 | 109.4 | V378 L388 F389 P390 L394 S411 C425 L426 R428 F466 | V378-Y413 HydrophobicContact CG1-CD1 4.39Å; V378-Y413 HydrophobicContact CG1-CE1 4.25Å; V378-Y413 HydrophobicContact CG2-CE1 4.33Å; L388-Y413 HydrophobicContact CD2-CG 4.36Å; F389-Y413 CarbonylContact O-C 3.5Å; F389-Y413 WeakPolarHBondContact O-CA 3.12Å; P390-Y413 HydrophobicContact CB-CD1 4.15Å; P390-Y413 HydrophobicContact CB-CE1 4.29Å; P390-Y413 HydrophobicContact CG-CD1 4.29Å; P390-Y413 HydrophobicContact CG-CE1 4.38Å; L394-Y413 HydrophobicContact CD2-CE1 4.12Å; S411-Y413 WeakPolarHBondContact OG-CE2 3.36Å; S411-Y413 PolarHBondContact OG-OH 2.82Å; Y413-C425 CarbonylContact O-C 3.52Å; Y413-C425 VanDerWaalsContact O-CA 3.31Å; Y413-C425 WeakPolarHBondContact O-CA 3.46Å; Y413-L426 PolarHBondContact N-O 3Å; Y413-L426 PolarHBondContact O-N 2.84Å; Y413-R428 HydrophobicContact CE2-CB 4Å; Y413-F466 HydrophobicContact CD2-CZ 4.29Å; Y413-F466 HydrophobicContact CE1-CE1 4.4Å; Y413-F466 AromaticContact CE2-CE1 3.88Å; Y413-F466 HydrophobicContact CE2-CE1 3.88Å; Y413-F466 AromaticContact CE2-CZ 3.93Å; Y413-F466 HydrophobicContact CE2-CZ 3.93Å; Y413-F466 AromaticContact CZ-CE1 3.83Å |
| 414 | K | 94.1 | Very high | 87.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 136.6 | 156.8 | 178.2 | -177.5 | 70.4 | 77.9 | 0 | 107.1 | I365 T366 A368 L388 F389 L391 Y424 F477 | I365-K414 WeakPolarHBondContact O-CE 3.21Å; T366-K414 WeakPolarHBondContact O-CD 3.46Å; T366-K414 VanDerWaalsContact O-CE 3.26Å; T366-K414 WeakPolarHBondContact O-CE 3.11Å; T366-K414 PolarHBondContact O-NZ 3.25Å; A368-K414 WeakPolarHBondContact O-CE 3.38Å; A368-K414 PolarHBondContact O-NZ 3.36Å; L388-K414 CarbonylContact C-O 3.6Å; L388-K414 VanDerWaalsContact CA-O 3.22Å; L388-K414 WeakPolarHBondContact CA-O 3.34Å; F389-K414 HydrophobicContact CB-CB 4.31Å; F389-K414 PolarHBondContact N-O 2.61Å; F389-K414 PolarHBondContact O-N 2.71Å; L391-K414 HydrophobicContact CD1-CB 3.93Å; L391-K414 VanDerWaalsContact CD1-N 3.31Å; L391-K414 HydrophobicContact CD2-CB 4.28Å; L391-K414 HydrophobicContact CG-CB 4.18Å; K414-Y424 CarbonylContact C-O 3.59Å; K414-Y424 WeakPolarHBondContact CA-O 3.21Å; K414-F477 HydrophobicContact CB-CE2 4.22Å; K414-F477 HydrophobicContact CB-CZ 4.32Å; K414-F477 HydrophobicContact CD-CD1 4.24Å; K414-F477 HydrophobicContact CD-CE1 3.64Å; K414-F477 HydrophobicContact CD-CE2 4.45Å; K414-F477 HydrophobicContact CD-CZ 3.76Å; K414-F477 HydrophobicContact CG-CD1 4.33Å; K414-F477 HydrophobicContact CG-CD2 4.46Å; K414-F477 HydrophobicContact CG-CE1 4.11Å; K414-F477 HydrophobicContact CG-CE2 4.3Å; K414-F477 HydrophobicContact CG-CG 4.49Å; K414-F477 HydrophobicContact CG-CZ 4.1Å |
| 415 | A | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y385 L388 P423 Y424 L426 | Y385-A415 HydrophobicContact CD1-CB 4.35Å; L388-A415 HydrophobicContact CD1-CB 4.13Å; L388-A415 HydrophobicContact CG-CB 4.13Å; A415-P423 CarbonylContact O-C 3.59Å; A415-P423 VanDerWaalsContact O-CA 3.32Å; A415-P423 WeakPolarHBondContact O-CA 3.46Å; A415-Y424 PolarHBondContact N-O 2.66Å; A415-Y424 PolarHBondContact O-N 3.38Å; A415-L426 HydrophobicContact CB-CD1 3.59Å; A415-L426 HydrophobicContact CB-CG 3.94Å |
| 416 | V | 93.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 39 Ų | 39 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.3 | 174 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | Y385 H386 L422 | Y385-V416 CarbonylContact C-O 3.57Å; Y385-V416 VanDerWaalsContact CA-O 3.23Å; Y385-V416 WeakPolarHBondContact CA-O 3.27Å; H386-V416 PolarHBondContact N-O 3.14Å; H386-V416 PolarHBondContact O-N 3.33Å; V416-L422 WeakPolarHBondContact CA-O 3.18Å |
| 417 | N | 94.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.7 | 179.7 | -169.6 | -76.3 | 0 | 0 | 0 | 112.2 | S384 Y385 K419 D420 D421 L422 Y424 | S384-N417 WeakPolarHBondContact O-CA 3.35Å; S384-N417 PolarHBondContact O-ND2 3.06Å; Y385-N417 HydrophobicContact CD1-CB 3.87Å; Y385-N417 HydrophobicContact CE1-CB 3.73Å; Y385-N417 WeakPolarHBondContact CE1-ND2 3.13Å; Y385-N417 PolarHBondContact OH-ND2 3.33Å; N417-K419 PolarHBondContact O-N 3.45Å; N417-K419 WeakPolarHBondContact OD1-CB 3.27Å; N417-K419 WeakPolarHBondContact OD1-CG 3.34Å; N417-K419 PolarHBondContact OD1-N 3.32Å; N417-D420 PolarHBondContact O-N 2.94Å; N417-D421 WeakPolarHBondContact O-CA 3.44Å; N417-D421 PolarHBondContact O-N 3.07Å; N417-L422 PolarHBondContact N-O 3.38Å; N417-Y424 HydrophobicContact CB-CD2 3.92Å; N417-Y424 HydrophobicContact CB-CE2 3.73Å |
| 418 | S | 94 | Very high | 92.3 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 40% | 0.399 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 2.9 | -176.1 | -33.9 | 0 | 0 | 0 | 0 | 115.1 | S384 | S384-S418 PolarHBondContact O-N 3.42Å; S384-S418 PolarHBondContact O-OG 2.92Å |
| 419 | K | 93.3 | Very high | 92.8 | Very high | 136 Ų | 136 | 32.1 Ų | 32.1 | 59% | 0.591 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -18.3 | -177.1 | -55.1 | 166 | -176.3 | 155.3 | 0 | 113.8 | S384 N417 | S384-K419 VanDerWaalsContact CB-CE 3.47Å; S384-K419 VanDerWaalsContact CB-NZ 3.35Å; S384-K419 WeakPolarHBondContact OG-CE 3.5Å; S384-K419 PolarHBondContact OG-NZ 3.42Å; N417-K419 PolarHBondContact O-N 3.45Å; N417-K419 WeakPolarHBondContact OD1-CB 3.27Å; N417-K419 WeakPolarHBondContact OD1-CG 3.34Å; N417-K419 PolarHBondContact OD1-N 3.32Å |
| 420 | D | 92.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 32.7 Ų | 32.7 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | 2.8 | 179.4 | 59.7 | 26.5 | 0 | 0 | 0 | 114.7 | N417 L422 Y424 | N417-D420 PolarHBondContact O-N 2.94Å; D420-L422 HydrophobicContact CB-CG 4.31Å; D420-L422 WeakPolarHBondContact O-CG 3.44Å; D420-L422 PolarHBondContact O-N 3.49Å; D420-L422 VanDerWaalsContact O-N 3.12Å; D420-L422 WeakPolarHBondContact OD1-CB 3.44Å; D420-L422 PolarHBondContact OD1-N 3.2Å; D420-Y424 PolarHBondContact OD2-OH 3.3Å |
| 421 | D | 89.4 | Confident | 93 | Very high | 125 Ų | 125 | 34.7 Ų | 34.7 | 67% | 0.668 | 19% | 0.194 | S | C | * | . | trans | 57.5 | 17.8 | -179.7 | -57.5 | -46.5 | 0 | 0 | 0 | 114.6 | N417 | N417-D421 WeakPolarHBondContact O-CA 3.44Å; N417-D421 PolarHBondContact O-N 3.07Å | ||
| 422 | L | 92.3 | Very high | 93 | Very high | 89 Ų | 89 | 35.7 Ų | 35.7 | 47% | 0.466 | 20% | 0.198 | S | C | . | . | trans | -89.9 | 149.7 | -179.4 | -59.7 | -177.4 | 0 | 0 | 0 | 112.8 | V416 N417 D420 Y424 | V416-L422 WeakPolarHBondContact CA-O 3.18Å; N417-L422 PolarHBondContact N-O 3.38Å; D420-L422 HydrophobicContact CB-CG 4.31Å; D420-L422 WeakPolarHBondContact O-CG 3.44Å; D420-L422 PolarHBondContact O-N 3.49Å; D420-L422 VanDerWaalsContact O-N 3.12Å; D420-L422 WeakPolarHBondContact OD1-CB 3.44Å; D420-L422 PolarHBondContact OD1-N 3.2Å; L422-Y424 HydrophobicContact CB-CE2 3.75Å; L422-Y424 WeakPolarHBondContact O-CD2 3.28Å; L422-Y424 WeakPolarHBondContact O-CE2 3.19Å | ||
| 423 | P | 93.4 | Very high | 92.9 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 25% | 0.253 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 139.9 | 177.5 | 33.7 | -35.2 | 0 | 0 | 0 | 113.2 | T366 A415 F477 | T366-P423 HydrophobicContact CG2-CB 4.23Å; T366-P423 HydrophobicContact CG2-CG 3.93Å; A415-P423 CarbonylContact O-C 3.59Å; A415-P423 VanDerWaalsContact O-CA 3.32Å; A415-P423 WeakPolarHBondContact O-CA 3.46Å; P423-F477 VanDerWaalsContact C-CB 3.49Å; P423-F477 HydrophobicContact CB-CB 4.04Å; P423-F477 HydrophobicContact CB-CD1 3.87Å; P423-F477 HydrophobicContact CB-CG 4.29Å; P423-F477 HydrophobicContact CG-CB 4.32Å; P423-F477 HydrophobicContact CG-CD1 4.16Å; P423-F477 WeakPolarHBondContact O-CB 3.29Å; P423-F477 PolarHBondContact O-N 2.92Å |
| 424 | Y | 95.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 152.5 | 179.9 | -64.6 | -80.6 | 0 | 0 | 0 | 112 | Y385 K414 A415 N417 D420 L422 R458 Y475 | Y385-Y424 HydrophobicContact CD1-CD2 4.41Å; Y385-Y424 AromaticContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CE2 4.46Å; Y385-Y424 HydrophobicContact CE1-CG 4.02Å; K414-Y424 CarbonylContact C-O 3.59Å; K414-Y424 WeakPolarHBondContact CA-O 3.21Å; A415-Y424 PolarHBondContact N-O 2.66Å; A415-Y424 PolarHBondContact O-N 3.38Å; N417-Y424 HydrophobicContact CB-CD2 3.92Å; N417-Y424 HydrophobicContact CB-CE2 3.73Å; D420-Y424 PolarHBondContact OD2-OH 3.3Å; L422-Y424 HydrophobicContact CB-CE2 3.75Å; L422-Y424 WeakPolarHBondContact O-CD2 3.28Å; L422-Y424 WeakPolarHBondContact O-CE2 3.19Å; Y424-R458 HydrophobicContact CD1-CG 4.21Å; Y424-R458 HydrophobicContact CE1-CG 3.86Å; Y424-Y475 CarbonylContact C-O 3.52Å; Y424-Y475 VanDerWaalsContact CA-O 3.31Å; Y424-Y475 WeakPolarHBondContact CA-O 3.42Å; Y424-Y475 WeakPolarHBondContact CB-O 3.35Å; Y424-Y475 WeakPolarHBondContact CD1-O 3.35Å |
| 425 | C | 95.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.8 | 160.2 | 164 | 0 | 0 | 0 | 0 | 108.8 | C412 Y413 Y475 | C412-C425 WeakPolarHBondContact CB-SG 3.48Å; C412-C425 WeakPolarHBondContact SG-CB 3.46Å; C412-C425 CovalentContact SG-SG 2.06Å; C412-C425 PolarHBondContact SG-SG 3.39Å; Y413-C425 CarbonylContact O-C 3.52Å; Y413-C425 VanDerWaalsContact O-CA 3.31Å; Y413-C425 WeakPolarHBondContact O-CA 3.46Å; C425-Y475 PolarHBondContact N-O 2.96Å; C425-Y475 PolarHBondContact O-N 2.89Å |
| 426 | L | 96.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 104.1 | 166.5 | -59.9 | -174.5 | 0 | 0 | 0 | 108.7 | Y385 C412 Y413 A415 R428 F461 V472 F473 | Y385-L426 HydrophobicContact CD1-CD1 4.39Å; Y385-L426 HydrophobicContact CD1-CD2 3.99Å; Y385-L426 HydrophobicContact CD2-CD1 4.34Å; Y385-L426 HydrophobicContact CD2-CD2 4.07Å; Y385-L426 HydrophobicContact CE1-CD2 3.96Å; Y385-L426 HydrophobicContact CE2-CD2 4.06Å; Y385-L426 HydrophobicContact CG-CD1 3.95Å; Y385-L426 HydrophobicContact CG-CD2 4.04Å; Y385-L426 HydrophobicContact CG-CG 4.5Å; C412-L426 WeakPolarHBondContact CA-O 3.37Å; Y413-L426 PolarHBondContact N-O 3Å; Y413-L426 PolarHBondContact O-N 2.84Å; A415-L426 HydrophobicContact CB-CD1 3.59Å; A415-L426 HydrophobicContact CB-CG 3.94Å; L426-R428 PolarHBondContact O-N 3.13Å; L426-F461 HydrophobicContact CD2-CE1 4.48Å; L426-V472 HydrophobicContact CB-CG1 3.78Å; L426-V472 HydrophobicContact CD2-CG1 4.02Å; L426-V472 HydrophobicContact CG-CG1 4.32Å; L426-F473 CarbonylContact C-O 3.4Å; L426-F473 WeakPolarHBondContact CA-O 3.37Å |
| 427 | R | 94.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 58 Ų | 58 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 107.3 | 169.3 | -175.4 | 165.4 | -65.1 | -76.5 | -4.6 | 110 | E392 T410 S411 I429 V472 F473 Y475 C564 | E392-R427 IonicContact OE1-CZ 3.77Å; E392-R427 IonicContact OE1-NH1 2.91Å; E392-R427 PolarHBondContact OE1-NH1 3.28Å; E392-R427 VanDerWaalsContact OE1-NH1 3.09Å; E392-R427 IonicContact OE1-NH2 3.87Å; E392-R427 PolarHBondContact OE1-NH2 2.99Å; E392-R427 IonicContact OE2-CZ 3.8Å; E392-R427 IonicContact OE2-NH1 3.18Å; E392-R427 PolarHBondContact OE2-NH1 3.24Å; E392-R427 IonicContact OE2-NH2 2.82Å; T410-R427 PolarHBondContact OG1-NH1 3.47Å; S411-R427 CarbonylContact O-C 3.52Å; S411-R427 WeakPolarHBondContact O-CA 3.48Å; R427-I429 HydrophobicContact CG-CD1 4.42Å; R427-V472 WeakPolarHBondContact O-CA 3.26Å; R427-F473 PolarHBondContact N-O 3.48Å; R427-F473 PolarHBondContact O-N 3.39Å; R427-Y475 HydrophobicContact CB-CE2 4.4Å; R427-C564 PolarHBondContact NE-SG 3.46Å |
| 428 | R | 94.1 | Very high | 91 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.6 | 173.4 | 179.8 | -174.5 | 173 | -163.3 | -2.2 | 110.3 | T410 S411 Y413 L426 H430 F466 D468 S470 L471 V472 | T410-R428 WeakPolarHBondContact CA-O 3.42Å; T410-R428 WeakPolarHBondContact CB-O 3.35Å; S411-R428 PolarHBondContact N-O 2.9Å; S411-R428 VanDerWaalsContact N-O 3.11Å; S411-R428 PolarHBondContact O-N 2.7Å; Y413-R428 HydrophobicContact CE2-CB 4Å; L426-R428 PolarHBondContact O-N 3.13Å; R428-H430 VanDerWaalsContact CZ-CE1 3.49Å; R428-H430 PolarHBondContact NH1-CE1 3.46Å; R428-F466 HydrophobicContact CG-CD2 4.48Å; R428-F466 HydrophobicContact CG-CE2 4.35Å; R428-F466 VanDerWaalsContact NH2-CB 3.27Å; R428-D468 IonicContact CZ-OD1 3.54Å; R428-D468 IonicContact NE-OD1 3.48Å; R428-D468 IonicContact NH2-OD1 3.52Å; R428-D468 PolarHBondContact NH2-OD1 2.77Å; R428-D468 IonicContact NH2-OD2 2.77Å; R428-D468 PolarHBondContact NH2-OD2 2.96Å; R428-S470 PolarHBondContact NE-OG 2.8Å; R428-L471 CarbonylContact C-O 3.14Å; R428-V472 HydrophobicContact CB-CG2 4.48Å |
| 429 | I | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.3 | 164 | -44.8 | -58.7 | 0 | 0 | 0 | 107.2 | Y408 T410 R427 F432 S470 L471 F473 V567 L571 | Y408-I429 HydrophobicContact CD1-CG2 4.18Å; Y408-I429 HydrophobicContact CD2-CG2 4.12Å; Y408-I429 HydrophobicContact CG-CG2 3.69Å; T410-I429 HydrophobicContact CG2-CD1 3.48Å; T410-I429 VanDerWaalsContact CG2-CD1 3.48Å; R427-I429 HydrophobicContact CG-CD1 4.42Å; I429-F432 HydrophobicContact CB-CB 4.38Å; I429-F432 HydrophobicContact CG2-CB 4.11Å; I429-S470 WeakPolarHBondContact O-CA 3.26Å; I429-L471 HydrophobicContact CB-CB 4.33Å; I429-L471 PolarHBondContact N-O 2.98Å; I429-L471 PolarHBondContact O-N 2.84Å; I429-L471 VanDerWaalsContact O-N 3.13Å; I429-F473 HydrophobicContact CD1-CE2 4.38Å; I429-F473 HydrophobicContact CG1-CD2 4.13Å; I429-F473 HydrophobicContact CG1-CE2 3.77Å; I429-V567 HydrophobicContact CD1-CG1 4.45Å; I429-L571 HydrophobicContact CD1-CD1 4.34Å; I429-L571 HydrophobicContact CG1-CD1 4.42Å; I429-L571 HydrophobicContact CG1-CD2 4.38Å; I429-L571 HydrophobicContact CG2-CD1 4.39Å; I429-L571 HydrophobicContact CG2-CD2 4.16Å |
| 430 | H | 91.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.181 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 144.5 | -172.2 | -62.6 | -133.1 | 0 | 0 | 0 | 110.9 | I409 S411 R428 F432 | I409-H430 HydrophobicContact CB-CB 4.19Å; I409-H430 HydrophobicContact CG2-CB 4.47Å; I409-H430 PolarHBondContact O-CD2 3.29Å; I409-H430 PolarHBondContact O-N 3.47Å; S411-H430 PolarHBondContact OG-NE2 2.94Å; R428-H430 VanDerWaalsContact CZ-CE1 3.49Å; R428-H430 PolarHBondContact NH1-CE1 3.46Å; H430-F432 PolarHBondContact O-N 3.46Å; H430-F432 VanDerWaalsContact O-N 3.17Å |
| 431 | G | 88.6 | Confident | 90.7 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 6.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D468 H469 | G431-D468 PolarHBondContact N-OD2 2.9Å; G431-H469 CarbonylContact C-O 3.56Å; G431-H469 WeakPolarHBondContact CA-O 3.47Å; G431-H469 PolarHBondContact N-O 3.14Å |
| 432 | F | 89.7 | Confident | 90.8 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | trans | -82.5 | 119.4 | -175.3 | -166.2 | -87 | 0 | 0 | 0 | 112.7 | Y408 I429 H430 L434 H469 L471 L571 | Y408-F432 HydrophobicContact CD1-CD2 4.48Å; Y408-F432 AromaticContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE2-CD2 4.13Å; Y408-F432 HydrophobicContact CE2-CE2 4.28Å; Y408-F432 AromaticContact CZ-CD2 3.64Å; Y408-F432 AromaticContact CZ-CE2 3.91Å; I429-F432 HydrophobicContact CB-CB 4.38Å; I429-F432 HydrophobicContact CG2-CB 4.11Å; H430-F432 PolarHBondContact O-N 3.46Å; H430-F432 VanDerWaalsContact O-N 3.17Å; F432-L434 HydrophobicContact CD1-CB 4.43Å; F432-L434 HydrophobicContact CE1-CB 4.04Å; F432-L434 HydrophobicContact CE1-CD1 3.94Å; F432-H469 PolarHBondContact N-O 2.94Å; F432-L471 HydrophobicContact CB-CB 4Å; F432-L471 HydrophobicContact CD1-CB 3.76Å; F432-L471 HydrophobicContact CD1-CD2 3.71Å; F432-L471 HydrophobicContact CD1-CG 4.25Å; F432-L471 HydrophobicContact CE1-CD2 3.83Å; F432-L471 HydrophobicContact CG-CB 4.15Å; F432-L471 HydrophobicContact CG-CD2 4.3Å; F432-L571 HydrophobicContact CD2-CD2 3.53Å; F432-L571 HydrophobicContact CE1-CD2 4.42Å; F432-L571 HydrophobicContact CE2-CD2 3.37Å; F432-L571 HydrophobicContact CG-CD2 4.14Å; F432-L571 HydrophobicContact CZ-CD2 3.85Å | ||
| 433 | R | 88.8 | Confident | 90.9 | Very high | 169 Ų | 169 | 47.1 Ų | 47.1 | 64% | 0.638 | 25% | 0.249 | S | C | * | . | trans | -101.1 | 107.4 | 170.6 | -73.9 | -179.6 | 167.3 | 165 | -1.9 | 110 | V435 H469 | R433-V435 PolarHBondContact O-N 2.78Å; R433-V435 VanDerWaalsContact O-N 3.15Å; R433-H469 HydrophobicContact CG-CB 3.66Å; R433-H469 PolarHBondContact NE-CD2 2.87Å; R433-H469 VanDerWaalsContact NE-CD2 3.35Å; R433-H469 PolarHBondContact NE-CE1 2.53Å; R433-H469 PolarHBondContact NE-NE2 2.87Å; R433-H469 PolarHBondContact NH2-CD2 3.06Å; R433-H469 PolarHBondContact NH2-NE2 3.31Å | ||
| 434 | L | 87.2 | Confident | 91 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | trans | -70.7 | 107.3 | 172.5 | -172.6 | 67.7 | 0 | 0 | 0 | 109.8 | F432 N436 T462 V570 | F432-L434 HydrophobicContact CD1-CB 4.43Å; F432-L434 HydrophobicContact CE1-CB 4.04Å; F432-L434 HydrophobicContact CE1-CD1 3.94Å; L434-N436 WeakPolarHBondContact CD1-O 3.27Å; L434-T462 HydrophobicContact CB-CG2 3.71Å; L434-T462 HydrophobicContact CD2-CG2 4.3Å; L434-V570 HydrophobicContact CD1-CG1 4.16Å | ||
| 435 | V | 84.7 | Confident | 90.9 | Very high | 145 Ų | 145 | 50.1 Ų | 50.1 | 88% | 0.879 | 26% | 0.263 | S | S | * | . | trans | -81.9 | -21.4 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | R433 | R433-V435 PolarHBondContact O-N 2.78Å; R433-V435 VanDerWaalsContact O-N 3.15Å | ||
| 436 | N | 79.5 | Confident | 90.9 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | trans | -149 | 134.3 | -169.3 | -168.1 | -37.5 | 0 | 0 | 0 | 111.5 | L434 K438 N575 | L434-N436 WeakPolarHBondContact CD1-O 3.27Å; N436-K438 WeakPolarHBondContact OD1-CB 3.33Å; N436-K438 VanDerWaalsContact OD1-CG 3.28Å; N436-K438 WeakPolarHBondContact OD1-CG 3.48Å; N436-K438 PolarHBondContact OD1-N 2.97Å; N436-N575 PolarHBondContact ND2-ND2 2.83Å; N436-N575 PolarHBondContact ND2-OD1 3.25Å | ||
| 437 | T | 88.6 | Confident | 90.9 | Very high | 106 Ų | 106 | 54 Ų | 54 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -91.5 | -3.6 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | C439 M440 | T437-C439 PolarHBondContact O-N 3.25Å; T437-C439 VanDerWaalsContact O-N 3.13Å; T437-M440 VanDerWaalsContact O-CB 3.25Å; T437-M440 WeakPolarHBondContact O-CB 3.38Å; T437-M440 VanDerWaalsContact O-CG 3.23Å; T437-M440 WeakPolarHBondContact O-CG 3.37Å; T437-M440 PolarHBondContact O-N 3.34Å |
| 438 | K | 88.3 | Confident | 90.9 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -35 | 176.6 | -76.7 | 178.4 | -177 | 177.2 | 0 | 112.9 | N436 M440 M441 F573 N575 | N436-K438 WeakPolarHBondContact OD1-CB 3.33Å; N436-K438 VanDerWaalsContact OD1-CG 3.28Å; N436-K438 WeakPolarHBondContact OD1-CG 3.48Å; N436-K438 PolarHBondContact OD1-N 2.97Å; K438-M440 PolarHBondContact O-N 3.28Å; K438-M440 VanDerWaalsContact O-N 3.08Å; K438-M441 WeakPolarHBondContact O-CE 3.47Å; K438-M441 WeakPolarHBondContact O-CG 3.35Å; K438-M441 PolarHBondContact O-N 3.49Å; K438-F573 HydrophobicContact CB-CE1 3.7Å; K438-F573 HydrophobicContact CB-CZ 3.59Å; K438-F573 HydrophobicContact CD-CE1 4.46Å; K438-N575 WeakPolarHBondContact CD-OD1 3.25Å; K438-N575 WeakPolarHBondContact CE-OD1 3.32Å; K438-N575 PolarHBondContact NZ-OD1 3.24Å |
| 439 | C | 88.7 | Confident | 90.9 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.5 | 177.6 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | T437 M441 L442 V443 V570 F573 | T437-C439 PolarHBondContact O-N 3.25Å; T437-C439 VanDerWaalsContact O-N 3.13Å; C439-M441 PolarHBondContact O-N 3.41Å; C439-M441 VanDerWaalsContact O-N 3.16Å; C439-L442 WeakPolarHBondContact O-CB 3.49Å; C439-L442 PolarHBondContact O-N 2.86Å; C439-V443 PolarHBondContact O-N 2.66Å; C439-V570 HydrophobicContact CB-CG2 4.42Å; C439-F573 HydrophobicContact CB-CB 3.97Å; C439-F573 HydrophobicContact CB-CD1 4Å; C439-F573 HydrophobicContact CB-CD2 3.54Å; C439-F573 HydrophobicContact CB-CE1 4.4Å; C439-F573 HydrophobicContact CB-CE2 3.98Å; C439-F573 HydrophobicContact CB-CG 3.55Å; C439-F573 HydrophobicContact CB-CZ 4.38Å |
| 440 | M | 91.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 68.6 Ų | 68.6 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -20.9 | 178.7 | -61.3 | -57.1 | -70.2 | 0 | 0 | 112.7 | T437 K438 L442 V443 D444 V460 | T437-M440 VanDerWaalsContact O-CB 3.25Å; T437-M440 WeakPolarHBondContact O-CB 3.38Å; T437-M440 VanDerWaalsContact O-CG 3.23Å; T437-M440 WeakPolarHBondContact O-CG 3.37Å; T437-M440 PolarHBondContact O-N 3.34Å; K438-M440 PolarHBondContact O-N 3.28Å; K438-M440 VanDerWaalsContact O-N 3.08Å; M440-L442 VanDerWaalsContact C-N 3.25Å; M440-L442 PolarHBondContact O-N 3.47Å; M440-V443 HydrophobicContact CE-CB 4.24Å; M440-V443 HydrophobicContact CE-CG1 4.05Å; M440-V443 HydrophobicContact CE-CG2 4.45Å; M440-V443 WeakPolarHBondContact O-CB 3.47Å; M440-V443 PolarHBondContact O-N 3.48Å; M440-V443 VanDerWaalsContact O-N 3.17Å; M440-V443 HydrophobicContact SD-CB 4.33Å; M440-V443 HydrophobicContact SD-CG2 4Å; M440-D444 PolarHBondContact O-N 2.81Å; M440-V460 HydrophobicContact CE-CB 4.33Å |
| 441 | M | 92.2 | Very high | 91.1 | Very high | 103 Ų | 103 | 68.3 Ų | 68.3 | 51% | 0.507 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -35 | 171.8 | 75.5 | 179.9 | 63.2 | 0 | 0 | 112.5 | K438 C439 M445 | K438-M441 WeakPolarHBondContact O-CE 3.47Å; K438-M441 WeakPolarHBondContact O-CG 3.35Å; K438-M441 PolarHBondContact O-N 3.49Å; C439-M441 PolarHBondContact O-N 3.41Å; C439-M441 VanDerWaalsContact O-N 3.16Å; M441-M445 WeakPolarHBondContact O-CG 3.32Å; M441-M445 PolarHBondContact O-N 2.98Å; M441-M445 VanDerWaalsContact O-N 3.15Å |
| 442 | L | 92.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75.5 | -37 | 175.6 | -59.2 | 176.9 | 0 | 0 | 0 | 110.5 | C439 M440 D444 M445 W446 L542 D569 F573 L581 | C439-L442 WeakPolarHBondContact O-CB 3.49Å; C439-L442 PolarHBondContact O-N 2.86Å; M440-L442 VanDerWaalsContact C-N 3.25Å; M440-L442 PolarHBondContact O-N 3.47Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3.21Å; L442-M445 HydrophobicContact CD2-SD 4.26Å; L442-M445 WeakPolarHBondContact O-CB 3.23Å; L442-M445 PolarHBondContact O-N 2.92Å; L442-M445 VanDerWaalsContact O-N 3.11Å; L442-W446 VanDerWaalsContact O-CD1 3.24Å; L442-W446 PolarHBondContact O-N 3.2Å; L442-L542 HydrophobicContact CD2-CD2 4.07Å; L442-D569 HydrophobicContact CB-CB 4.23Å; L442-D569 HydrophobicContact CD1-CB 3.99Å; L442-F573 HydrophobicContact CD1-CD2 4.18Å; L442-F573 HydrophobicContact CD1-CE2 4.29Å; L442-L581 HydrophobicContact CD2-CD2 4.19Å |
| 443 | V | 94.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | C439 M440 M445 W446 K447 L457 V460 V570 | C439-V443 PolarHBondContact O-N 2.66Å; M440-V443 HydrophobicContact CE-CB 4.24Å; M440-V443 HydrophobicContact CE-CG1 4.05Å; M440-V443 HydrophobicContact CE-CG2 4.45Å; M440-V443 WeakPolarHBondContact O-CB 3.47Å; M440-V443 PolarHBondContact O-N 3.48Å; M440-V443 VanDerWaalsContact O-N 3.17Å; M440-V443 HydrophobicContact SD-CB 4.33Å; M440-V443 HydrophobicContact SD-CG2 4Å; V443-M445 VanDerWaalsContact C-N 3.28Å; V443-M445 PolarHBondContact O-N 2.88Å; V443-W446 PolarHBondContact O-N 3.43Å; V443-K447 HydrophobicContact CG1-CD 3.8Å; V443-K447 HydrophobicContact CG1-CG 4.45Å; V443-K447 WeakPolarHBondContact O-CB 3.42Å; V443-K447 WeakPolarHBondContact O-CD 3.42Å; V443-K447 VanDerWaalsContact O-CG 3.3Å; V443-K447 WeakPolarHBondContact O-CG 3.5Å; V443-K447 PolarHBondContact O-N 2.95Å; V443-L457 HydrophobicContact CG1-CD2 4.11Å; V443-V460 HydrophobicContact CG1-CB 4.06Å; V443-V460 HydrophobicContact CG1-CG2 3.63Å; V443-V460 HydrophobicContact CG2-CB 4.33Å; V443-V460 HydrophobicContact CG2-CG2 3.99Å; V443-V570 HydrophobicContact CG2-CG2 3.62Å |
| 444 | D | 94.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.5 | -8.8 | 175.7 | -75.9 | -32.1 | 0 | 0 | 0 | 114.1 | M440 L442 K447 K448 | M440-D444 PolarHBondContact O-N 2.81Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3.21Å; D444-K447 WeakPolarHBondContact OD1-CE 3.22Å; D444-K447 IonicContact OD1-NZ 2.7Å; D444-K447 PolarHBondContact OD1-NZ 2.92Å; D444-K448 VanDerWaalsContact O-CD 3.27Å; D444-K448 WeakPolarHBondContact O-CD 3.39Å; D444-K448 WeakPolarHBondContact O-CE 3.38Å; D444-K448 WeakPolarHBondContact O-CG 3.38Å; D444-K448 PolarHBondContact O-NZ 3.44Å |
| 445 | M | 94.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.3 | -46.5 | 161.7 | -71.4 | 173.2 | 66.9 | 0 | 0 | 110.3 | M441 L442 V443 K447 K448 A540 L542 | M441-M445 WeakPolarHBondContact O-CG 3.32Å; M441-M445 PolarHBondContact O-N 2.98Å; M441-M445 VanDerWaalsContact O-N 3.15Å; L442-M445 HydrophobicContact CD2-SD 4.26Å; L442-M445 WeakPolarHBondContact O-CB 3.23Å; L442-M445 PolarHBondContact O-N 2.92Å; L442-M445 VanDerWaalsContact O-N 3.11Å; V443-M445 VanDerWaalsContact C-N 3.28Å; V443-M445 PolarHBondContact O-N 2.88Å; M445-K447 VanDerWaalsContact C-N 3.35Å; M445-K447 PolarHBondContact O-N 3.39Å; M445-K448 WeakPolarHBondContact O-CB 3.17Å; M445-K448 PolarHBondContact O-N 3.12Å; M445-A540 WeakPolarHBondContact CE-O 3.46Å; M445-L542 HydrophobicContact CB-CD1 3.78Å; M445-L542 HydrophobicContact CB-CG 4.46Å; M445-L542 HydrophobicContact CE-CD2 4.12Å; M445-L542 HydrophobicContact CE-CG 4.04Å |
| 446 | W | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -41 | 176.4 | -84.3 | 111.5 | 0 | 0 | 0 | 113.3 | L442 V443 K448 I449 L457 I537 L542 A543 V565 D569 | L442-W446 VanDerWaalsContact O-CD1 3.24Å; L442-W446 PolarHBondContact O-N 3.2Å; V443-W446 PolarHBondContact O-N 3.43Å; W446-K448 PolarHBondContact O-N 3.39Å; W446-K448 VanDerWaalsContact O-N 3.11Å; W446-I449 HydrophobicContact CD2-CD1 4.43Å; W446-I449 HydrophobicContact CE3-CD1 3.75Å; W446-I449 HydrophobicContact CZ3-CD1 3.82Å; W446-I449 PolarHBondContact O-N 3.17Å; W446-L457 HydrophobicContact CB-CB 4.49Å; W446-L457 HydrophobicContact CB-CD2 3.87Å; W446-I537 HydrophobicContact CH2-CB 4.42Å; W446-I537 HydrophobicContact CH2-CD1 3.98Å; W446-I537 HydrophobicContact CH2-CG1 3.94Å; W446-I537 HydrophobicContact CH2-CG2 3.57Å; W446-I537 HydrophobicContact CZ2-CG2 4.24Å; W446-I537 HydrophobicContact CZ3-CD1 4.13Å; W446-I537 HydrophobicContact CZ3-CG1 3.91Å; W446-I537 HydrophobicContact CZ3-CG2 4.26Å; W446-L542 HydrophobicContact CD2-CD1 3.83Å; W446-L542 HydrophobicContact CE3-CD1 4.41Å; W446-L542 HydrophobicContact CG-CD1 3.93Å; W446-L542 HydrophobicContact CZ2-CB 4.22Å; W446-L542 HydrophobicContact CZ2-CD1 4.36Å; W446-A543 WeakPolarHBondContact CZ2-O 3.27Å; W446-V565 HydrophobicContact CD2-CB 4.36Å; W446-V565 HydrophobicContact CE3-CB 3.86Å; W446-V565 HydrophobicContact CE3-CG2 3.87Å; W446-V565 HydrophobicContact CH2-CB 3.68Å; W446-V565 HydrophobicContact CH2-CG1 3.96Å; W446-V565 HydrophobicContact CZ2-CB 4.18Å; W446-V565 HydrophobicContact CZ3-CB 3.51Å; W446-V565 HydrophobicContact CZ3-CG1 3.94Å; W446-V565 HydrophobicContact CZ3-CG2 3.87Å; W446-D569 PolarHBondContact NE1-OD1 3.25Å; W446-D569 PolarHBondContact NE1-OD2 3.36Å |
| 447 | K | 95.1 | Very high | 93.6 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 39% | 0.391 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.8 | 175.2 | -74.8 | 160.9 | 62.6 | -169.2 | 0 | 114.5 | V443 D444 M445 L457 R458 | V443-K447 HydrophobicContact CG1-CD 3.8Å; V443-K447 HydrophobicContact CG1-CG 4.45Å; V443-K447 WeakPolarHBondContact O-CB 3.42Å; V443-K447 WeakPolarHBondContact O-CD 3.42Å; V443-K447 VanDerWaalsContact O-CG 3.3Å; V443-K447 WeakPolarHBondContact O-CG 3.5Å; V443-K447 PolarHBondContact O-N 2.95Å; D444-K447 WeakPolarHBondContact OD1-CE 3.22Å; D444-K447 IonicContact OD1-NZ 2.7Å; D444-K447 PolarHBondContact OD1-NZ 2.92Å; M445-K447 VanDerWaalsContact C-N 3.35Å; M445-K447 PolarHBondContact O-N 3.39Å; K447-L457 WeakPolarHBondContact CG-O 3.35Å; K447-R458 WeakPolarHBondContact CD-O 3.4Å; K447-R458 VanDerWaalsContact CE-O 3.27Å; K447-R458 WeakPolarHBondContact CE-O 3.22Å; K447-R458 WeakPolarHBondContact CG-O 3.31Å |
| 448 | K | 94.9 | Very high | 94 | Very high | 163 Ų | 163 | 51.1 Ų | 51.1 | 71% | 0.709 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -13.2 | 174.4 | -62.7 | 166.6 | -175.3 | 133.9 | 0 | 112.8 | D444 M445 W446 Q450 | D444-K448 VanDerWaalsContact O-CD 3.27Å; D444-K448 WeakPolarHBondContact O-CD 3.39Å; D444-K448 WeakPolarHBondContact O-CE 3.38Å; D444-K448 WeakPolarHBondContact O-CG 3.38Å; D444-K448 PolarHBondContact O-NZ 3.44Å; M445-K448 WeakPolarHBondContact O-CB 3.17Å; M445-K448 PolarHBondContact O-N 3.12Å; W446-K448 PolarHBondContact O-N 3.39Å; W446-K448 VanDerWaalsContact O-N 3.11Å; K448-Q450 PolarHBondContact O-N 3.03Å |
| 449 | I | 94.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | trans | -81.4 | 117.5 | 177.3 | -66.4 | 176.3 | 0 | 0 | 0 | 109 | W446 T536 I537 A540 L542 | W446-I449 HydrophobicContact CD2-CD1 4.43Å; W446-I449 HydrophobicContact CE3-CD1 3.75Å; W446-I449 HydrophobicContact CZ3-CD1 3.82Å; W446-I449 PolarHBondContact O-N 3.17Å; I449-T536 HydrophobicContact CG2-CG2 4.28Å; I449-I537 HydrophobicContact CD1-CG1 4.43Å; I449-A540 HydrophobicContact CD1-CB 3.77Å; I449-A540 HydrophobicContact CG1-CB 4Å; I449-L542 HydrophobicContact CD1-CD1 3.72Å | ||
| 450 | Q | 93.5 | Very high | 94.6 | Very high | 165 Ų | 165 | 50 Ų | 50 | 77% | 0.771 | 24% | 0.242 | S | C | * | . | trans | -122.4 | 120.7 | 170.2 | -170.2 | 176.4 | 9.6 | 0 | 0 | 108.8 | K448 | K448-Q450 PolarHBondContact O-N 3.03Š| ||
| 451 | H | 94.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | trans | -151.8 | 140.8 | -179.2 | -176.8 | -96.1 | 0 | 0 | 0 | 111.2 | N453 T454 S532 A533 T536 | H451-N453 PolarHBondContact CE1-OD1 2.95Å; H451-N453 PolarHBondContact ND1-N 2.82Å; H451-N453 VanDerWaalsContact ND1-N 3.14Å; H451-N453 PolarHBondContact O-N 3.07Å; H451-T454 PolarHBondContact O-N 2.8Å; H451-S532 PolarHBondContact NE2-OG 2.88Å; H451-A533 VanDerWaalsContact CE1-CA 3.48Å; H451-A533 WeakPolarHBondContact CE1-CA 3.19Å; H451-A533 PolarHBondContact CE1-N 2.93Å; H451-A533 VanDerWaalsContact CE1-N 3.32Å; H451-T536 HydrophobicContact CB-CG2 4.37Å; H451-T536 PolarHBondContact CD2-OG1 3.49Å | ||
| 452 | S | 93.1 | Very high | 94.9 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.1 | -174.2 | -58 | 0 | 0 | 0 | 0 | 115.2 | R559 | S452-R559 PolarHBondContact O-NE 3.33Å; S452-R559 PolarHBondContact O-NH2 3.11Å |
| 453 | N | 95.7 | Very high | 95 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 23 | -179.7 | -53.2 | 105.9 | 0 | 0 | 0 | 113.7 | H451 Q529 A533 L560 R561 V562 | H451-N453 PolarHBondContact CE1-OD1 2.95Å; H451-N453 PolarHBondContact ND1-N 2.82Å; H451-N453 VanDerWaalsContact ND1-N 3.14Å; H451-N453 PolarHBondContact O-N 3.07Å; N453-Q529 HydrophobicContact CB-CB 4.47Å; N453-Q529 PolarHBondContact ND2-OE1 3.25Å; N453-A533 HydrophobicContact CB-CB 4.2Å; N453-L560 WeakPolarHBondContact CA-O 3.46Å; N453-L560 PolarHBondContact ND2-O 3.26Å; N453-R561 CarbonylContact O-C 3.5Å; N453-R561 VanDerWaalsContact O-CA 3.26Å; N453-R561 WeakPolarHBondContact O-CA 3.49Å; N453-V562 PolarHBondContact O-N 3.27Å |
| 454 | T | 95.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -127 | 141.5 | 171.3 | -53.1 | 0 | 0 | 0 | 0 | 108.7 | H451 V565 | H451-T454 PolarHBondContact O-N 2.8Å; T454-V565 HydrophobicContact CG2-CG1 3.98Å; T454-V565 HydrophobicContact CG2-CG2 3.92Å |
| 455 | V | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 119.1 | 169.7 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | L457 Y475 D476 L553 R561 V562 N563 | V455-L457 PolarHBondContact O-N 2.89Å; V455-Y475 HydrophobicContact CG1-CD1 4.24Å; V455-Y475 HydrophobicContact CG1-CG 4.42Å; V455-D476 HydrophobicContact CG1-CB 4.19Å; V455-D476 WeakPolarHBondContact CG1-O 3.5Å; V455-L553 HydrophobicContact CG2-CD1 4.19Å; V455-R561 HydrophobicContact CG2-CB 3.84Å; V455-V562 PolarHBondContact N-O 2.7Å; V455-N563 HydrophobicContact CB-CB 4.46Å; V455-N563 HydrophobicContact CG2-CB 3.86Å |
| 456 | T | 94.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 126.7 | -175 | -34.1 | 0 | 0 | 0 | 0 | 110.9 | Y475 D476 | T456-Y475 WeakPolarHBondContact O-CA 3.47Å; T456-D476 WeakPolarHBondContact CB-OD2 3.44Å; T456-D476 PolarHBondContact O-N 2.84Å; T456-D476 PolarHBondContact OG1-OD2 3.43Å |
| 457 | L | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.7 | 166 | -179.5 | 64.6 | 0 | 0 | 0 | 108.7 | V443 W446 K447 V455 V460 F473 Y475 | V443-L457 HydrophobicContact CG1-CD2 4.11Å; W446-L457 HydrophobicContact CB-CB 4.49Å; W446-L457 HydrophobicContact CB-CD2 3.87Å; K447-L457 WeakPolarHBondContact CG-O 3.35Å; V455-L457 PolarHBondContact O-N 2.89Å; L457-V460 HydrophobicContact CD1-CG2 3.86Å; L457-V460 HydrophobicContact CD2-CG2 3.97Å; L457-V460 HydrophobicContact CG-CG2 4.29Å; L457-F473 HydrophobicContact CD1-CB 4.14Å; L457-F473 HydrophobicContact CD1-CD1 4.01Å; L457-Y475 HydrophobicContact CB-CD1 4.25Å; L457-Y475 HydrophobicContact CB-CE1 3.86Å; L457-Y475 HydrophobicContact CD1-CD1 4.14Å; L457-Y475 HydrophobicContact CD1-CE1 3.62Å; L457-Y475 HydrophobicContact CD1-CE2 4.31Å; L457-Y475 HydrophobicContact CG-CE1 4.31Å |
| 458 | R | 95.2 | Very high | 94 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -48.1 | -178.2 | -62.9 | -64.2 | -179.2 | -173.6 | -5.4 | 112.4 | Y424 K447 S474 D476 | Y424-R458 HydrophobicContact CD1-CG 4.21Å; Y424-R458 HydrophobicContact CE1-CG 3.86Å; K447-R458 WeakPolarHBondContact CD-O 3.4Å; K447-R458 VanDerWaalsContact CE-O 3.27Å; K447-R458 WeakPolarHBondContact CE-O 3.22Å; K447-R458 WeakPolarHBondContact CG-O 3.31Å; R458-S474 PolarHBondContact N-O 2.06Å; R458-D476 IonicContact CZ-OD1 2.76Å; R458-D476 IonicContact CZ-OD2 3.72Å; R458-D476 IonicContact NE-OD1 2.78Å; R458-D476 PolarHBondContact NE-OD1 3.28Å; R458-D476 IonicContact NE-OD2 3.68Å; R458-D476 VanDerWaalsContact NH2-CG 3.26Å; R458-D476 IonicContact NH2-OD1 3.46Å; R458-D476 PolarHBondContact NH2-OD1 3.19Å; R458-D476 IonicContact NH2-OD2 3.7Å; R458-D476 PolarHBondContact NH2-OD2 2.92Å |
| 459 | E | 94.2 | Very high | 93.9 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.5 | -169.8 | -163.2 | 161.4 | -130.6 | 0 | 0 | 110.4 | Y385 F461 S474 | Y385-E459 PolarHBondContact OH-OE2 3.09Å; E459-F461 HydrophobicContact CG-CD1 4.24Å; E459-S474 PolarHBondContact O-N 3.31Å |
| 460 | V | 95.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 122.3 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | M440 V443 L457 L471 V472 F473 | M440-V460 HydrophobicContact CE-CB 4.33Å; V443-V460 HydrophobicContact CG1-CB 4.06Å; V443-V460 HydrophobicContact CG1-CG2 3.63Å; V443-V460 HydrophobicContact CG2-CB 4.33Å; V443-V460 HydrophobicContact CG2-CG2 3.99Å; L457-V460 HydrophobicContact CD1-CG2 3.86Å; L457-V460 HydrophobicContact CD2-CG2 3.97Å; L457-V460 HydrophobicContact CG-CG2 4.29Å; V460-L471 HydrophobicContact CG1-CD1 3.8Å; V460-L471 HydrophobicContact CG1-CG 4.36Å; V460-V472 WeakPolarHBondContact CA-O 3.43Å; V460-F473 HydrophobicContact CB-CD1 4.45Å; V460-F473 HydrophobicContact CG1-CD1 4.15Å; V460-F473 HydrophobicContact CG1-CE1 4.04Å; V460-F473 HydrophobicContact CG1-CG 4.49Å; V460-F473 HydrophobicContact CG1-CZ 4.29Å; V460-F473 HydrophobicContact CG2-CD1 3.46Å; V460-F473 VanDerWaalsContact CG2-CD1 3.46Å; V460-F473 HydrophobicContact CG2-CE1 3.84Å; V460-F473 HydrophobicContact CG2-CG 4.17Å |
| 461 | F | 95.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.7 | -174.3 | 66.1 | -88.3 | 0 | 0 | 0 | 111.7 | V382 D383 Y385 L426 E459 T463 V472 | V382-F461 HydrophobicContact CG1-CE2 3.88Å; V382-F461 HydrophobicContact CG1-CZ 4.08Å; D383-F461 HydrophobicContact CB-CD2 3.89Å; D383-F461 HydrophobicContact CB-CE2 3.55Å; D383-F461 HydrophobicContact CB-CZ 4.01Å; Y385-F461 HydrophobicContact CD2-CE1 4.12Å; Y385-F461 HydrophobicContact CD2-CZ 4.08Å; Y385-F461 AromaticContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CZ 4.24Å; L426-F461 HydrophobicContact CD2-CE1 4.48Å; E459-F461 HydrophobicContact CG-CD1 4.24Å; F461-T463 HydrophobicContact CE2-CG2 4.47Å; F461-V472 HydrophobicContact CD1-CB 4.28Å; F461-V472 HydrophobicContact CD1-CG1 4.5Å; F461-V472 HydrophobicContact CD2-CB 4.34Å; F461-V472 HydrophobicContact CE1-CB 3.87Å; F461-V472 HydrophobicContact CE1-CG1 3.7Å; F461-V472 HydrophobicContact CE2-CB 3.93Å; F461-V472 HydrophobicContact CE2-CG1 4.35Å; F461-V472 HydrophobicContact CE2-CG2 4.18Å; F461-V472 HydrophobicContact CZ-CB 3.69Å; F461-V472 HydrophobicContact CZ-CG1 3.62Å; F461-V472 HydrophobicContact CZ-CG2 4.24Å; F461-V472 PolarHBondContact N-O 2.78Å; F461-V472 PolarHBondContact O-N 3.03Å |
| 462 | T | 94.7 | Very high | 94 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.6 | 174.7 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | L434 S470 L471 | L434-T462 HydrophobicContact CB-CG2 3.71Å; L434-T462 HydrophobicContact CD2-CG2 4.3Å; T462-S470 CarbonylContact C-O 3.55Å; T462-S470 VanDerWaalsContact CA-O 3.3Å; T462-S470 WeakPolarHBondContact CA-O 3.45Å; T462-L471 HydrophobicContact CG2-CD1 3.78Å |
| 463 | T | 94.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 162 | -178.7 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | V382 F461 A465 F466 S470 V472 | V382-T463 HydrophobicContact CG1-CG2 3.96Å; F461-T463 HydrophobicContact CE2-CG2 4.47Å; T463-A465 WeakPolarHBondContact OG1-CB 3.32Å; T463-A465 PolarHBondContact OG1-N 3.15Å; T463-A465 VanDerWaalsContact OG1-N 3.11Å; T463-F466 HydrophobicContact CG2-CD2 3.89Å; T463-F466 HydrophobicContact CG2-CE2 4.07Å; T463-S470 PolarHBondContact N-O 3.03Å; T463-S470 PolarHBondContact O-N 2.93Å; T463-V472 HydrophobicContact CG2-CG2 3.84Å |
| 464 | K | 93.8 | Very high | 94.2 | Very high | 145 Ų | 145 | 34.7 Ų | 34.7 | 63% | 0.63 | 20% | 0.195 | S | C | * | . | trans | -118.9 | 3.3 | 167.9 | -69.5 | -175.6 | 177.1 | -179.3 | 0 | 113.7 | F466 G467 D468 | K464-F466 PolarHBondContact O-N 3.11Å; K464-G467 PolarHBondContact O-N 2.61Å; K464-D468 WeakPolarHBondContact CA-O 3.41Å | ||
| 465 | A | 91.6 | Very high | 94.3 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 37% | 0.372 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P379 V382 T463 G467 | P379-A465 HydrophobicContact CB-CB 4.26Å; P379-A465 HydrophobicContact CG-CB 4.21Å; V382-A465 HydrophobicContact CG2-CB 4Å; T463-A465 WeakPolarHBondContact OG1-CB 3.32Å; T463-A465 PolarHBondContact OG1-N 3.15Å; T463-A465 VanDerWaalsContact OG1-N 3.11Å; A465-G467 VanDerWaalsContact C-N 3.29Å; A465-G467 PolarHBondContact O-N 2.88Å |
| 466 | F | 89.6 | Confident | 94.2 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 10% | 0.101 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 19.1 | 176 | -57.2 | -86.9 | 0 | 0 | 0 | 114.2 | P379 V382 L388 Y413 R428 T463 K464 D468 V472 | P379-F466 HydrophobicContact CG-CD1 3.58Å; P379-F466 HydrophobicContact CG-CE1 3.72Å; P379-F466 HydrophobicContact CG-CG 4.05Å; P379-F466 HydrophobicContact CG-CZ 4.3Å; V382-F466 HydrophobicContact CG1-CE2 3.87Å; V382-F466 HydrophobicContact CG1-CZ 4.41Å; V382-F466 HydrophobicContact CG2-CE1 4.45Å; V382-F466 HydrophobicContact CG2-CE2 3.92Å; V382-F466 HydrophobicContact CG2-CZ 3.84Å; L388-F466 HydrophobicContact CD2-CE1 3.94Å; L388-F466 HydrophobicContact CD2-CZ 3.78Å; Y413-F466 HydrophobicContact CD2-CZ 4.29Å; Y413-F466 HydrophobicContact CE1-CE1 4.4Å; Y413-F466 AromaticContact CE2-CE1 3.88Å; Y413-F466 HydrophobicContact CE2-CE1 3.88Å; Y413-F466 AromaticContact CE2-CZ 3.93Å; Y413-F466 HydrophobicContact CE2-CZ 3.93Å; Y413-F466 AromaticContact CZ-CE1 3.83Å; R428-F466 HydrophobicContact CG-CD2 4.48Å; R428-F466 HydrophobicContact CG-CE2 4.35Å; R428-F466 VanDerWaalsContact NH2-CB 3.27Å; T463-F466 HydrophobicContact CG2-CD2 3.89Å; T463-F466 HydrophobicContact CG2-CE2 4.07Å; K464-F466 PolarHBondContact O-N 3.11Å; F466-D468 PolarHBondContact O-N 2.88Å; F466-V472 HydrophobicContact CE2-CG2 4.36Å |
| 467 | G | 88.9 | Confident | 94.2 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 81% | 0.814 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 76.7 | -19 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | K464 A465 | K464-G467 PolarHBondContact O-N 2.61Å; A465-G467 VanDerWaalsContact C-N 3.29Å; A465-G467 PolarHBondContact O-N 2.88Å |
| 468 | D | 90.9 | Very high | 94.1 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 23% | 0.225 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -109.1 | 178.4 | 175.7 | 81 | -30 | 0 | 0 | 0 | 112.9 | R428 G431 K464 F466 S470 | R428-D468 IonicContact CZ-OD1 3.54Å; R428-D468 IonicContact NE-OD1 3.48Å; R428-D468 IonicContact NH2-OD1 3.52Å; R428-D468 PolarHBondContact NH2-OD1 2.77Å; R428-D468 IonicContact NH2-OD2 2.77Å; R428-D468 PolarHBondContact NH2-OD2 2.96Å; G431-D468 PolarHBondContact N-OD2 2.9Å; K464-D468 WeakPolarHBondContact CA-O 3.41Å; F466-D468 PolarHBondContact O-N 2.88Å; D468-S470 PolarHBondContact O-N 2.92Å; D468-S470 PolarHBondContact OD1-OG 3.4Å; D468-S470 PolarHBondContact OD2-OG 3.05Å |
| 469 | H | 92.6 | Very high | 93.8 | Very high | 66 Ų | 66 | 33.6 Ų | 33.6 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | trans | -82.6 | 110.2 | 163.4 | -72.9 | -111.5 | 0 | 0 | 0 | 108.4 | G431 F432 R433 | G431-H469 CarbonylContact C-O 3.56Å; G431-H469 WeakPolarHBondContact CA-O 3.47Å; G431-H469 PolarHBondContact N-O 3.14Å; F432-H469 PolarHBondContact N-O 2.94Å; R433-H469 HydrophobicContact CG-CB 3.66Å; R433-H469 PolarHBondContact NE-CD2 2.87Å; R433-H469 VanDerWaalsContact NE-CD2 3.35Å; R433-H469 PolarHBondContact NE-CE1 2.53Å; R433-H469 PolarHBondContact NE-NE2 2.87Å; R433-H469 PolarHBondContact NH2-CD2 3.06Å; R433-H469 PolarHBondContact NH2-NE2 3.31Å | ||
| 470 | S | 93.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.8 | 179.7 | -85.9 | 0 | 0 | 0 | 0 | 112.1 | R428 I429 T462 T463 D468 | R428-S470 PolarHBondContact NE-OG 2.8Å; I429-S470 WeakPolarHBondContact O-CA 3.26Å; T462-S470 CarbonylContact C-O 3.55Å; T462-S470 VanDerWaalsContact CA-O 3.3Å; T462-S470 WeakPolarHBondContact CA-O 3.45Å; T463-S470 PolarHBondContact N-O 3.03Å; T463-S470 PolarHBondContact O-N 2.93Å; D468-S470 PolarHBondContact O-N 2.92Å; D468-S470 PolarHBondContact OD1-OG 3.4Å; D468-S470 PolarHBondContact OD2-OG 3.05Å |
| 471 | L | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.4 | 167 | 179.9 | 71.8 | 0 | 0 | 0 | 108.5 | R428 I429 F432 V460 T462 F473 V570 L571 | R428-L471 CarbonylContact C-O 3.14Å; I429-L471 HydrophobicContact CB-CB 4.33Å; I429-L471 PolarHBondContact N-O 2.98Å; I429-L471 PolarHBondContact O-N 2.84Å; I429-L471 VanDerWaalsContact O-N 3.13Å; F432-L471 HydrophobicContact CB-CB 4Å; F432-L471 HydrophobicContact CD1-CB 3.76Å; F432-L471 HydrophobicContact CD1-CD2 3.71Å; F432-L471 HydrophobicContact CD1-CG 4.25Å; F432-L471 HydrophobicContact CE1-CD2 3.83Å; F432-L471 HydrophobicContact CG-CB 4.15Å; F432-L471 HydrophobicContact CG-CD2 4.3Å; V460-L471 HydrophobicContact CG1-CD1 3.8Å; V460-L471 HydrophobicContact CG1-CG 4.36Å; T462-L471 HydrophobicContact CG2-CD1 3.78Å; L471-F473 HydrophobicContact CD2-CE2 3.54Å; L471-F473 HydrophobicContact CD2-CZ 3.78Å; L471-F473 HydrophobicContact CG-CD2 4.47Å; L471-F473 HydrophobicContact CG-CE2 3.87Å; L471-F473 HydrophobicContact CG-CZ 4.42Å; L471-V570 HydrophobicContact CD2-CG1 3.8Å; L471-L571 HydrophobicContact CD2-CD2 4.01Å |
| 472 | V | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.8 | -177.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | L426 R427 R428 V460 F461 T463 F466 | L426-V472 HydrophobicContact CB-CG1 3.78Å; L426-V472 HydrophobicContact CD2-CG1 4.02Å; L426-V472 HydrophobicContact CG-CG1 4.32Å; R427-V472 WeakPolarHBondContact O-CA 3.26Å; R428-V472 HydrophobicContact CB-CG2 4.48Å; V460-V472 WeakPolarHBondContact CA-O 3.43Å; F461-V472 HydrophobicContact CD1-CB 4.28Å; F461-V472 HydrophobicContact CD1-CG1 4.5Å; F461-V472 HydrophobicContact CD2-CB 4.34Å; F461-V472 HydrophobicContact CE1-CB 3.87Å; F461-V472 HydrophobicContact CE1-CG1 3.7Å; F461-V472 HydrophobicContact CE2-CB 3.93Å; F461-V472 HydrophobicContact CE2-CG1 4.35Å; F461-V472 HydrophobicContact CE2-CG2 4.18Å; F461-V472 HydrophobicContact CZ-CB 3.69Å; F461-V472 HydrophobicContact CZ-CG1 3.62Å; F461-V472 HydrophobicContact CZ-CG2 4.24Å; F461-V472 PolarHBondContact N-O 2.78Å; F461-V472 PolarHBondContact O-N 3.03Å; T463-V472 HydrophobicContact CG2-CG2 3.84Å; F466-V472 HydrophobicContact CE2-CG2 4.36Å |
| 473 | F | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.8 | 171.4 | -64.1 | -106.2 | 0 | 0 | 0 | 108.7 | L426 R427 I429 L457 V460 L471 Y475 V567 V570 | L426-F473 CarbonylContact C-O 3.4Å; L426-F473 WeakPolarHBondContact CA-O 3.37Å; R427-F473 PolarHBondContact N-O 3.48Å; R427-F473 PolarHBondContact O-N 3.39Å; I429-F473 HydrophobicContact CD1-CE2 4.38Å; I429-F473 HydrophobicContact CG1-CD2 4.13Å; I429-F473 HydrophobicContact CG1-CE2 3.77Å; L457-F473 HydrophobicContact CD1-CB 4.14Å; L457-F473 HydrophobicContact CD1-CD1 4.01Å; V460-F473 HydrophobicContact CB-CD1 4.45Å; V460-F473 HydrophobicContact CG1-CD1 4.15Å; V460-F473 HydrophobicContact CG1-CE1 4.04Å; V460-F473 HydrophobicContact CG1-CG 4.49Å; V460-F473 HydrophobicContact CG1-CZ 4.29Å; V460-F473 HydrophobicContact CG2-CD1 3.46Å; V460-F473 VanDerWaalsContact CG2-CD1 3.46Å; V460-F473 HydrophobicContact CG2-CE1 3.84Å; V460-F473 HydrophobicContact CG2-CG 4.17Å; L471-F473 HydrophobicContact CD2-CE2 3.54Å; L471-F473 HydrophobicContact CD2-CZ 3.78Å; L471-F473 HydrophobicContact CG-CD2 4.47Å; L471-F473 HydrophobicContact CG-CE2 3.87Å; L471-F473 HydrophobicContact CG-CZ 4.42Å; F473-Y475 HydrophobicContact CB-CD2 4.14Å; F473-Y475 HydrophobicContact CB-CE2 3.42Å; F473-Y475 VanDerWaalsContact CB-CE2 3.42Å; F473-Y475 HydrophobicContact CG-CE2 4.36Å; F473-V567 HydrophobicContact CD1-CG2 4.04Å; F473-V567 HydrophobicContact CD2-CG2 4.26Å; F473-V567 HydrophobicContact CE1-CB 4.41Å; F473-V567 HydrophobicContact CE1-CG2 4.05Å; F473-V567 HydrophobicContact CE2-CG1 4.45Å; F473-V567 HydrophobicContact CE2-CG2 4.26Å; F473-V567 HydrophobicContact CG-CG2 4.17Å; F473-V567 HydrophobicContact CZ-CB 4.32Å; F473-V567 HydrophobicContact CZ-CG1 4.37Å; F473-V567 HydrophobicContact CZ-CG2 4.16Å; F473-V570 HydrophobicContact CE1-CB 4.32Å; F473-V570 HydrophobicContact CE1-CG2 4.11Å; F473-V570 HydrophobicContact CZ-CB 4Å; F473-V570 HydrophobicContact CZ-CG1 4.35Å; F473-V570 HydrophobicContact CZ-CG2 4.28Å |
| 474 | S | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.4 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 111 | Y385 R458 E459 | Y385-S474 WeakPolarHBondContact OH-CB 3.18Å; Y385-S474 PolarHBondContact OH-OG 3.23Å; R458-S474 PolarHBondContact N-O 2.06Å; E459-S474 PolarHBondContact O-N 3.31Å |
| 475 | Y | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.3 | -176.2 | -69.2 | -77.8 | 0 | 0 | 0 | 111.8 | Y424 C425 R427 V455 T456 L457 F473 F477 C564 V565 V567 | Y424-Y475 CarbonylContact C-O 3.52Å; Y424-Y475 VanDerWaalsContact CA-O 3.31Å; Y424-Y475 WeakPolarHBondContact CA-O 3.42Å; Y424-Y475 WeakPolarHBondContact CB-O 3.35Å; Y424-Y475 WeakPolarHBondContact CD1-O 3.35Å; C425-Y475 PolarHBondContact N-O 2.96Å; C425-Y475 PolarHBondContact O-N 2.89Å; R427-Y475 HydrophobicContact CB-CE2 4.4Å; V455-Y475 HydrophobicContact CG1-CD1 4.24Å; V455-Y475 HydrophobicContact CG1-CG 4.42Å; T456-Y475 WeakPolarHBondContact O-CA 3.47Å; L457-Y475 HydrophobicContact CB-CD1 4.25Å; L457-Y475 HydrophobicContact CB-CE1 3.86Å; L457-Y475 HydrophobicContact CD1-CD1 4.14Å; L457-Y475 HydrophobicContact CD1-CE1 3.62Å; L457-Y475 HydrophobicContact CD1-CE2 4.31Å; L457-Y475 HydrophobicContact CG-CE1 4.31Å; F473-Y475 HydrophobicContact CB-CD2 4.14Å; F473-Y475 HydrophobicContact CB-CE2 3.42Å; F473-Y475 VanDerWaalsContact CB-CE2 3.42Å; F473-Y475 HydrophobicContact CG-CE2 4.36Å; Y475-F477 PolarHBondContact O-N 3.43Å; Y475-C564 WeakPolarHBondContact OH-CA 3.39Å; Y475-V565 HydrophobicContact CE1-CG2 4.19Å; Y475-V565 PolarHBondContact OH-O 2.79Å; Y475-V567 WeakPolarHBondContact OH-CG2 3.16Å |
| 476 | D | 95.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.2 | 125.3 | 171.6 | -74 | -18 | 0 | 0 | 0 | 111.8 | V455 T456 R458 | V455-D476 HydrophobicContact CG1-CB 4.19Å; V455-D476 WeakPolarHBondContact CG1-O 3.5Å; T456-D476 WeakPolarHBondContact CB-OD2 3.44Å; T456-D476 PolarHBondContact O-N 2.84Å; T456-D476 PolarHBondContact OG1-OD2 3.43Å; R458-D476 IonicContact CZ-OD1 2.76Å; R458-D476 IonicContact CZ-OD2 3.72Å; R458-D476 IonicContact NE-OD1 2.78Å; R458-D476 PolarHBondContact NE-OD1 3.28Å; R458-D476 IonicContact NE-OD2 3.68Å; R458-D476 VanDerWaalsContact NH2-CG 3.26Å; R458-D476 IonicContact NH2-OD1 3.46Å; R458-D476 PolarHBondContact NH2-OD1 3.19Å; R458-D476 IonicContact NH2-OD2 3.7Å; R458-D476 PolarHBondContact NH2-OD2 2.92Å |
| 477 | F | 94.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | trans | -75.1 | 138.2 | 177.3 | -174.1 | -124.4 | 0 | 0 | 0 | 112.1 | I365 L391 K414 P423 Y475 A479 | I365-F477 HydrophobicContact CG2-CE1 4.23Å; I365-F477 HydrophobicContact CG2-CZ 3.77Å; L391-F477 HydrophobicContact CD1-CD2 4.21Å; L391-F477 HydrophobicContact CD1-CE2 3.61Å; L391-F477 HydrophobicContact CD2-CE2 4.09Å; L391-F477 HydrophobicContact CD2-CZ 4.33Å; K414-F477 HydrophobicContact CB-CE2 4.22Å; K414-F477 HydrophobicContact CB-CZ 4.32Å; K414-F477 HydrophobicContact CD-CD1 4.24Å; K414-F477 HydrophobicContact CD-CE1 3.64Å; K414-F477 HydrophobicContact CD-CE2 4.45Å; K414-F477 HydrophobicContact CD-CZ 3.76Å; K414-F477 HydrophobicContact CG-CD1 4.33Å; K414-F477 HydrophobicContact CG-CD2 4.46Å; K414-F477 HydrophobicContact CG-CE1 4.11Å; K414-F477 HydrophobicContact CG-CE2 4.3Å; K414-F477 HydrophobicContact CG-CG 4.49Å; K414-F477 HydrophobicContact CG-CZ 4.1Å; P423-F477 VanDerWaalsContact C-CB 3.49Å; P423-F477 HydrophobicContact CB-CB 4.04Å; P423-F477 HydrophobicContact CB-CD1 3.87Å; P423-F477 HydrophobicContact CB-CG 4.29Å; P423-F477 HydrophobicContact CG-CB 4.32Å; P423-F477 HydrophobicContact CG-CD1 4.16Å; P423-F477 WeakPolarHBondContact O-CB 3.29Å; P423-F477 PolarHBondContact O-N 2.92Å; Y475-F477 PolarHBondContact O-N 3.43Å; F477-A479 HydrophobicContact CD1-CB 4.39Å; F477-A479 HydrophobicContact CE1-CB 3.69Å; F477-A479 HydrophobicContact CZ-CB 4.13Å | ||
| 478 | H | 93.5 | Very high | 92.6 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 18% | 0.181 | 17% | 0.169 | C | C | . | . | trans | -130.2 | 88.4 | 176.3 | -63.1 | -23.9 | 0 | 0 | 0 | 109.4 | A481 T555 R561 | H478-A481 HydrophobicContact CB-CB 4.06Å; H478-A481 WeakPolarHBondContact O-CB 3.29Å; H478-A481 PolarHBondContact O-N 3.35Å; H478-T555 HydrophobicContact CB-CG2 4.38Å; H478-R561 WeakPolarHBondContact CD2-CD 3.35Å; H478-R561 PolarHBondContact CD2-NE 3.28Å; H478-R561 VanDerWaalsContact CD2-NE 3.28Å; H478-R561 WeakPolarHBondContact NE2-CD 3.5Å; H478-R561 PolarHBondContact NE2-NE 2.75Å | ||
| 479 | A | 88.8 | Confident | 92.3 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R362 I365 T366 F477 | R362-A479 HydrophobicContact CB-CB 3.98Å; R362-A479 HydrophobicContact CG-CB 4.38Å; R362-A479 WeakPolarHBondContact CG-O 3.38Å; R362-A479 PolarHBondContact NE-O 3.22Å; R362-A479 VanDerWaalsContact O-CB 3.23Å; R362-A479 WeakPolarHBondContact O-CB 3.35Å; I365-A479 HydrophobicContact CB-CB 4.14Å; I365-A479 HydrophobicContact CG2-CB 3.75Å; T366-A479 WeakPolarHBondContact OG1-CB 3.35Å; F477-A479 HydrophobicContact CD1-CB 4.39Å; F477-A479 HydrophobicContact CE1-CB 3.69Å; F477-A479 HydrophobicContact CZ-CB 4.13Å |
| 480 | G | 85.4 | Confident | 91.7 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 24.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 481 | A | 91.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 26% | 0.264 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H478 L553 I554 T555 | H478-A481 HydrophobicContact CB-CB 4.06Å; H478-A481 WeakPolarHBondContact O-CB 3.29Å; H478-A481 PolarHBondContact O-N 3.35Å; A481-L553 HydrophobicContact CB-CB 4.35Å; A481-L553 HydrophobicContact CB-CD1 4.1Å; A481-L553 HydrophobicContact CB-CD2 4.47Å; A481-I554 WeakPolarHBondContact CA-O 3.28Å; A481-T555 HydrophobicContact CB-CG2 3.69Å |
| 482 | E | 91.3 | Very high | 89.1 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 154.8 | 172.2 | -62.8 | -179.8 | 151.7 | 0 | 0 | 110.1 | R487 L553 I554 | E482-R487 IonicContact OE1-NH1 2.7Å; E482-R487 WeakPolarHBondContact OE2-CD 3.38Å; E482-R487 IonicContact OE2-CZ 2.68Å; E482-R487 IonicContact OE2-NE 3.17Å; E482-R487 IonicContact OE2-NH1 3.49Å; E482-R487 PolarHBondContact OE2-NH1 2.94Å; E482-L553 CarbonylContact O-C 3.49Å; E482-L553 VanDerWaalsContact O-CA 3.3Å; E482-L553 WeakPolarHBondContact O-CA 3.14Å; E482-I554 PolarHBondContact N-O 2.81Å; E482-I554 PolarHBondContact O-N 3.24Å |
| 483 | T | 93.1 | Very high | 87.4 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 149.6 | 166.9 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | F485 S486 R487 I552 L553 | T483-F485 PolarHBondContact O-N 3.44Å; T483-S486 WeakPolarHBondContact O-CB 3.46Å; T483-S486 PolarHBondContact O-N 3.31Å; T483-S486 VanDerWaalsContact OG1-CB 3.29Å; T483-S486 WeakPolarHBondContact OG1-CB 3.46Å; T483-S486 PolarHBondContact OG1-N 3.15Å; T483-R487 WeakPolarHBondContact O-CB 3.49Å; T483-R487 PolarHBondContact O-N 2.94Å; T483-I552 CarbonylContact C-O 3.52Å; T483-I552 WeakPolarHBondContact CA-O 3.03Å; T483-L553 HydrophobicContact CG2-CD2 3.97Å |
| 484 | M | 93.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -33.3 | 172.2 | 176.2 | -179.7 | -84 | 0 | 0 | 111.4 | R487 H488 F489 Y526 P549 I552 I554 L560 V598 L602 | M484-R487 PolarHBondContact O-N 2.97Å; M484-H488 PolarHBondContact O-CD2 2.93Å; M484-H488 PolarHBondContact O-N 2.94Å; M484-F489 HydrophobicContact CG-CE2 4.35Å; M484-F489 WeakPolarHBondContact O-CD2 3.41Å; M484-Y526 HydrophobicContact CE-CD2 3.77Å; M484-Y526 HydrophobicContact CE-CE2 4.05Å; M484-Y526 HydrophobicContact CE-CG 4.22Å; M484-P549 CarbonylContact C-O 3.6Å; M484-P549 HydrophobicContact CB-CB 4.33Å; M484-P549 WeakPolarHBondContact CB-O 3.37Å; M484-P549 HydrophobicContact CG-CB 4.2Å; M484-P549 PolarHBondContact N-O 3.01Å; M484-P549 HydrophobicContact SD-CB 4.43Å; M484-I552 HydrophobicContact CB-CB 4.09Å; M484-I552 HydrophobicContact CB-CG2 4.21Å; M484-I552 HydrophobicContact CE-CD1 4.38Å; M484-I552 HydrophobicContact CE-CG2 3.82Å; M484-I552 PolarHBondContact N-O 3.34Å; M484-I552 HydrophobicContact SD-CB 4.36Å; M484-I552 HydrophobicContact SD-CD1 3.88Å; M484-I552 HydrophobicContact SD-CG2 4.29Å; M484-I554 HydrophobicContact CB-CD1 3.95Å; M484-I554 HydrophobicContact CB-CG1 4.2Å; M484-I554 HydrophobicContact CE-CD1 4.46Å; M484-I554 HydrophobicContact CG-CD1 4.23Å; M484-L560 HydrophobicContact CE-CD1 3.84Å; M484-L560 HydrophobicContact CE-CD2 3.83Å; M484-V598 HydrophobicContact SD-CG1 3.84Å; M484-L602 HydrophobicContact CE-CD1 4.12Å; M484-L602 HydrophobicContact CE-CD2 4.46Å; M484-L602 HydrophobicContact CG-CD2 4.24Å; M484-L602 HydrophobicContact SD-CD1 4.03Å; M484-L602 HydrophobicContact SD-CD2 4.07Å; M484-L602 HydrophobicContact SD-CG 4.34Å |
| 485 | F | 90.6 | Very high | 83.9 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -57.1 | -57.1 | 168.1 | -178.7 | -103.3 | 0 | 0 | 0 | 111.9 | T483 R487 H488 F489 N490 P549 L607 | T483-F485 PolarHBondContact O-N 3.44Å; F485-R487 PolarHBondContact O-N 3.16Å; F485-H488 PolarHBondContact O-N 3.2Å; F485-F489 HydrophobicContact CD2-CB 3.7Å; F485-F489 HydrophobicContact CD2-CG 4.37Å; F485-F489 HydrophobicContact CE2-CB 3.8Å; F485-F489 WeakPolarHBondContact O-CA 3.49Å; F485-F489 WeakPolarHBondContact O-CB 3.35Å; F485-F489 PolarHBondContact O-N 2.93Å; F485-N490 PolarHBondContact O-N 3Å; F485-P549 HydrophobicContact CB-CB 4.2Å; F485-P549 PolarHBondContact N-O 3.41Å; F485-L607 HydrophobicContact CD2-CD1 3.82Å; F485-L607 HydrophobicContact CE2-CD1 3.6Å; F485-L607 HydrophobicContact CE2-CG 4.41Å |
| 486 | S | 89.3 | Confident | 82.2 | Confident | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -58.4 | -35.2 | 178.7 | -167.1 | 0 | 0 | 0 | 0 | 113 | T483 N490 | T483-S486 WeakPolarHBondContact O-CB 3.46Å; T483-S486 PolarHBondContact O-N 3.31Å; T483-S486 VanDerWaalsContact OG1-CB 3.29Å; T483-S486 WeakPolarHBondContact OG1-CB 3.46Å; T483-S486 PolarHBondContact OG1-N 3.15Å; S486-N490 WeakPolarHBondContact O-CB 3.21Å |
| 487 | R | 89.2 | Confident | 81 | Confident | 134 Ų | 134 | 50.5 Ų | 50.5 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -74.3 | -38.2 | -174 | -172.7 | 71 | -166.6 | 173.4 | 4.3 | 114 | E482 T483 M484 F485 I554 | E482-R487 IonicContact OE1-NH1 2.7Å; E482-R487 WeakPolarHBondContact OE2-CD 3.38Å; E482-R487 IonicContact OE2-CZ 2.68Å; E482-R487 IonicContact OE2-NE 3.17Å; E482-R487 IonicContact OE2-NH1 3.49Å; E482-R487 PolarHBondContact OE2-NH1 2.94Å; T483-R487 WeakPolarHBondContact O-CB 3.49Å; T483-R487 PolarHBondContact O-N 2.94Å; M484-R487 PolarHBondContact O-N 2.97Å; F485-R487 PolarHBondContact O-N 3.16Å; R487-I554 HydrophobicContact CB-CD1 4.01Å; R487-I554 HydrophobicContact CG-CD1 4.05Å |
| 488 | H | 88.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -121.4 | -30 | -169.3 | -57.6 | -74.1 | 0 | 0 | 0 | 113.8 | M484 F485 L518 Y526 N605 | M484-H488 PolarHBondContact O-CD2 2.93Å; M484-H488 PolarHBondContact O-N 2.94Å; F485-H488 PolarHBondContact O-N 3.2Å; H488-L518 HydrophobicContact CB-CD1 4.41Å; H488-Y526 PolarHBondContact CE1-OH 2.87Å; H488-Y526 AromaticContact NE2-CE2 3.59Å; H488-Y526 AromaticContact NE2-CZ 3.77Å; H488-Y526 PolarHBondContact NE2-OH 3.47Å; H488-Y526 VanDerWaalsContact NE2-OH 3.08Å; H488-N605 PolarHBondContact O-OD1 3.33Å |
| 489 | F | 84.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -108.8 | 0.6 | -169.3 | -57.8 | -90.6 | 0 | 0 | 0 | 114.1 | M484 F485 P549 A601 L602 L607 | M484-F489 HydrophobicContact CG-CE2 4.35Å; M484-F489 WeakPolarHBondContact O-CD2 3.41Å; F485-F489 HydrophobicContact CD2-CB 3.7Å; F485-F489 HydrophobicContact CD2-CG 4.37Å; F485-F489 HydrophobicContact CE2-CB 3.8Å; F485-F489 WeakPolarHBondContact O-CA 3.49Å; F485-F489 WeakPolarHBondContact O-CB 3.35Å; F485-F489 PolarHBondContact O-N 2.93Å; F489-P549 HydrophobicContact CD2-CB 4.45Å; F489-P549 HydrophobicContact CE2-CB 4.18Å; F489-P549 HydrophobicContact CE2-CG 4.44Å; F489-A601 HydrophobicContact CE1-CB 3.86Å; F489-A601 WeakPolarHBondContact CE1-O 3.49Å; F489-A601 HydrophobicContact CZ-CB 3.82Å; F489-L602 HydrophobicContact CE2-CD2 4.06Å; F489-L602 HydrophobicContact CZ-CD2 4.12Å; F489-L602 HydrophobicContact CZ-CG 4.32Å; F489-L607 HydrophobicContact CD1-CD2 3.8Å; F489-L607 HydrophobicContact CD1-CG 3.92Å; F489-L607 HydrophobicContact CE1-CD2 3.8Å; F489-L607 HydrophobicContact CE1-CG 4.35Å; F489-L607 HydrophobicContact CG-CD2 4.19Å; F489-L607 HydrophobicContact CG-CG 4.32Å; F489-L607 HydrophobicContact CZ-CD2 4.2Å |
| 490 | N | 79.2 | Confident | 77.5 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -88.3 | -4.3 | -178 | -163.6 | 54.2 | 0 | 0 | 0 | 113.8 | F485 S486 P492 | F485-N490 PolarHBondContact O-N 3Å; S486-N490 WeakPolarHBondContact O-CB 3.21Å; N490-P492 WeakPolarHBondContact O-CD 3.43Å |
| 491 | D | 71 | Confident | 76.5 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | trans | -94.1 | 115.6 | 176.6 | 179 | 8.6 | 0 | 0 | 0 | 111.2 | A493 A494 | D491-A493 PolarHBondContact O-N 3.38Å; D491-A493 VanDerWaalsContact O-N 3.15Å; D491-A493 VanDerWaalsContact OD1-CB 3.29Å; D491-A493 WeakPolarHBondContact OD1-CB 3.22Å; D491-A493 PolarHBondContact OD1-N 3.31Å; D491-A494 HydrophobicContact CB-CB 4.23Å; D491-A494 WeakPolarHBondContact O-CB 3.47Å; D491-A494 PolarHBondContact O-N 3.29Å | ||
| 492 | P | 63.4 | Low | 74.9 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 67% | 0.669 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.6 | -19.7 | 174.8 | -22.8 | 34.6 | 0 | 0 | 0 | 114.4 | N490 S496 | N490-P492 WeakPolarHBondContact O-CD 3.43Å; P492-S496 PolarHBondContact O-N 3.47Å; P492-S496 PolarHBondContact O-OG 3.35Å |
| 493 | A | 61.9 | Low | 73.3 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -77.1 | -25.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | D491 S496 | D491-A493 PolarHBondContact O-N 3.38Å; D491-A493 VanDerWaalsContact O-N 3.15Å; D491-A493 VanDerWaalsContact OD1-CB 3.29Å; D491-A493 WeakPolarHBondContact OD1-CB 3.22Å; D491-A493 PolarHBondContact OD1-N 3.31Å; A493-S496 WeakPolarHBondContact O-CB 3.33Å |
| 494 | A | 59.6 | Low | 71.3 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.6 | -55.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D491 S496 Y497 | D491-A494 HydrophobicContact CB-CB 4.23Å; D491-A494 WeakPolarHBondContact O-CB 3.47Å; D491-A494 PolarHBondContact O-N 3.29Å; A494-S496 PolarHBondContact O-N 3.31Å; A494-S496 VanDerWaalsContact O-N 3.08Å; A494-Y497 PolarHBondContact O-N 2.94Å |
| 495 | D | 59.3 | Low | 69 | Low | 60 Ų | 60 | 75.3 Ų | 75.3 | 32% | 0.321 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.6 | -26.2 | -179.7 | -173.8 | 62.1 | 0 | 0 | 0 | 112.8 | Y497 F498 T499 S606 | D495-Y497 PolarHBondContact O-N 3.38Å; D495-F498 PolarHBondContact O-N 2.94Å; D495-T499 WeakPolarHBondContact O-CG2 3.16Å; D495-T499 PolarHBondContact O-N 3.48Å; D495-T499 VanDerWaalsContact O-N 3.15Å; D495-T499 PolarHBondContact O-OG1 2.98Å; D495-T499 WeakPolarHBondContact OD2-CG2 3.14Å; D495-S606 VanDerWaalsContact OD1-CB 3.24Å; D495-S606 WeakPolarHBondContact OD1-CB 3.32Å; D495-S606 PolarHBondContact OD1-OG 2.93Å |
| 496 | S | 61.6 | Low | 67 | Low | 29 Ų | 29 | 80.9 Ų | 80.9 | 20% | 0.203 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.6 | -29.3 | 174.5 | -72 | 0 | 0 | 0 | 0 | 114.1 | P492 A493 A494 K500 | P492-S496 PolarHBondContact O-N 3.47Å; P492-S496 PolarHBondContact O-OG 3.35Å; A493-S496 WeakPolarHBondContact O-CB 3.33Å; A494-S496 PolarHBondContact O-N 3.31Å; A494-S496 VanDerWaalsContact O-N 3.08Å; S496-K500 VanDerWaalsContact O-CB 3.23Å; S496-K500 WeakPolarHBondContact O-CB 3.34Å; S496-K500 WeakPolarHBondContact O-CG 3.31Å; S496-K500 PolarHBondContact O-N 3.44Å; S496-K500 VanDerWaalsContact O-N 3.11Å; S496-K500 PolarHBondContact OG-NZ 3.49Å |
| 497 | Y | 69.3 | Low | 64.9 | Low | 43 Ų | 43 | 86.1 Ų | 86.1 | 17% | 0.169 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -71.3 | -43.9 | -178.5 | -172.2 | -102.2 | 0 | 0 | 0 | 112.4 | A494 D495 R501 A515 L517 L621 | A494-Y497 PolarHBondContact O-N 2.94Å; D495-Y497 PolarHBondContact O-N 3.38Å; Y497-R501 WeakPolarHBondContact O-CB 3.17Å; Y497-R501 PolarHBondContact OH-NH2 3.41Å; Y497-A515 HydrophobicContact CD2-CB 4.34Å; Y497-A515 WeakPolarHBondContact CD2-O 3.49Å; Y497-A515 HydrophobicContact CE2-CB 3.71Å; Y497-L517 HydrophobicContact CD1-CD2 3.85Å; Y497-L517 HydrophobicContact CD1-CG 4.26Å; Y497-L517 HydrophobicContact CE1-CD1 4.12Å; Y497-L517 HydrophobicContact CE1-CD2 4.1Å; Y497-L517 HydrophobicContact CE1-CG 4.15Å; Y497-L621 HydrophobicContact CD1-CD1 4.27Å; Y497-L621 HydrophobicContact CE1-CD1 4.16Å |
| 498 | F | 71.8 | Confident | 63 | Low | 8 Ų | 8 | 84.6 Ų | 84.6 | 4% | 0.035 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -73.1 | -43.3 | 178.4 | -176.9 | -111.9 | 0 | 0 | 0 | 111.9 | D495 W503 C604 A608 N614 K617 A618 L621 | D495-F498 PolarHBondContact O-N 2.94Å; F498-W503 HydrophobicContact CE2-CZ2 4.37Å; F498-C604 HydrophobicContact CD2-CB 4.21Å; F498-C604 HydrophobicContact CG-CB 4.44Å; F498-A608 HydrophobicContact CD1-CB 4.1Å; F498-A608 HydrophobicContact CE1-CB 4.11Å; F498-N614 HydrophobicContact CE1-CB 4.12Å; F498-N614 HydrophobicContact CZ-CB 4.08Å; F498-K617 HydrophobicContact CE2-CB 4.32Å; F498-K617 HydrophobicContact CZ-CB 4.35Å; F498-A618 HydrophobicContact CE2-CB 4.11Å; F498-A618 HydrophobicContact CZ-CB 4.03Å; F498-L621 HydrophobicContact CD2-CD1 3.85Å |
| 499 | T | 69.2 | Low | 61.2 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.8 | -31.5 | -172.5 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | D495 A608 | D495-T499 WeakPolarHBondContact O-CG2 3.16Å; D495-T499 PolarHBondContact O-N 3.48Å; D495-T499 VanDerWaalsContact O-N 3.15Å; D495-T499 PolarHBondContact O-OG1 2.98Å; D495-T499 WeakPolarHBondContact OD2-CG2 3.14Å; T499-A608 HydrophobicContact CG2-CB 4.43Å |
| 500 | K | 63.7 | Low | 59.4 | Low | 149 Ų | 149 | 91.4 Ų | 91.4 | 65% | 0.648 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -99.7 | -7.4 | -175.7 | -56.5 | 172.3 | -177.2 | 162.2 | 0 | 114.2 | S496 K502 | S496-K500 VanDerWaalsContact O-CB 3.23Å; S496-K500 WeakPolarHBondContact O-CB 3.34Å; S496-K500 WeakPolarHBondContact O-CG 3.31Å; S496-K500 PolarHBondContact O-N 3.44Å; S496-K500 VanDerWaalsContact O-N 3.11Å; S496-K500 PolarHBondContact OG-NZ 3.49Å; K500-K502 PolarHBondContact O-N 3.21Å |
| 501 | R | 64.3 | Low | 57.7 | Low | 67 Ų | 67 | 93.3 Ų | 93.3 | 25% | 0.253 | 52% | 0.516 | S | S | . | . | trans | -60.9 | 118.4 | 174.3 | 175 | -176.4 | -93.6 | -139.5 | -1.8 | 110.1 | Y497 W503 | Y497-R501 WeakPolarHBondContact O-CB 3.17Å; Y497-R501 PolarHBondContact OH-NH2 3.41Å; R501-W503 VanDerWaalsContact CD-CE2 3.45Å; R501-W503 HydrophobicContact CG-CD2 4.31Å; R501-W503 HydrophobicContact CG-CZ2 4.36Å; R501-W503 PolarHBondContact O-N 2.82Å | ||
| 502 | K | 58.1 | Low | 56.8 | Low | 177 Ų | 177 | 98.8 Ų | 98.8 | 77% | 0.77 | 53% | 0.53 | S | S | * | . | trans | -77.1 | 88.1 | 171.3 | -71.1 | -177.6 | -179.8 | 175 | 0 | 110.3 | K500 G504 | K500-K502 PolarHBondContact O-N 3.21Å; K502-G504 PolarHBondContact O-N 3.29Å | ||
| 503 | W | 58.2 | Low | 56.1 | Low | 70 Ų | 70 | 102.9 Ų | 102.9 | 27% | 0.265 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 122.4 | 171.4 | -61.9 | 91.2 | 0 | 0 | 0 | 110.4 | F498 R501 K617 E620 L621 | F498-W503 HydrophobicContact CE2-CZ2 4.37Å; R501-W503 VanDerWaalsContact CD-CE2 3.45Å; R501-W503 HydrophobicContact CG-CD2 4.31Å; R501-W503 HydrophobicContact CG-CZ2 4.36Å; R501-W503 PolarHBondContact O-N 2.82Å; W503-K617 HydrophobicContact CD2-CB 4.33Å; W503-K617 VanDerWaalsContact CH2-O 3.27Å; W503-K617 WeakPolarHBondContact CH2-O 2.98Å; W503-K617 HydrophobicContact CZ2-CB 4.04Å; W503-E620 HydrophobicContact CE3-CG 4.45Å; W503-E620 HydrophobicContact CH2-CB 4.33Å; W503-E620 HydrophobicContact CZ3-CB 3.9Å; W503-E620 VanDerWaalsContact CZ3-CD 3.44Å; W503-E620 HydrophobicContact CZ3-CG 3.8Å; W503-E620 WeakPolarHBondContact CZ3-OE1 3.19Å; W503-L621 HydrophobicContact CH2-CB 3.81Å; W503-L621 HydrophobicContact CZ2-CB 4.29Å; W503-L621 HydrophobicContact CZ2-CD1 4.45Å |
| 504 | G | 50.3 | Low | 55.8 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 81% | 0.814 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.5 | 14.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | K502 | K502-G504 PolarHBondContact O-N 3.29Š|
| 505 | Q | 46 | Very low | 55.8 | Low | 158 Ų | 158 | 107 Ų | 107 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -124.4 | 145.9 | 166.7 | -86.9 | -65.9 | -6.5 | 0 | 0 | 112.5 | E507 | Q505-E507 PolarHBondContact O-N 3.36Š|
| 506 | H | 47.8 | Very low | 56.4 | Low | 188 Ų | 188 | 106.2 Ų | 106.2 | 87% | 0.87 | 56% | 0.557 | S | S | * | * | trans | -86.4 | 39.9 | -165.1 | -154.9 | -67.9 | 0 | 0 | 0 | 113.3 | ||||
| 507 | E | 45.1 | Very low | 57.6 | Low | 164 Ų | 164 | 105.7 Ų | 105.7 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 127.5 | 179.8 | -167.8 | 169.2 | -142.9 | 0 | 0 | 110.1 | Q505 | Q505-E507 PolarHBondContact O-N 3.36Š|
| 508 | P | 49.2 | Very low | 58.6 | Low | 103 Ų | 103 | 104.7 Ų | 104.7 | 67% | 0.669 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 143.8 | -179.3 | 27 | -34.2 | 0 | 0 | 0 | 110.7 | ||
| 509 | P | 51.6 | Low | 59.5 | Low | 105 Ų | 105 | 107.2 Ų | 107.2 | 68% | 0.682 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.5 | -179.6 | 24.9 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 510 | P | 46.7 | Very low | 60.7 | Low | 80 Ų | 80 | 105.9 Ų | 105.9 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 145 | -175.3 | 24.9 | -34.4 | 0 | 0 | 0 | 110.8 | R512 | P510-R512 PolarHBondContact O-N 3.37Š|
| 511 | P | 44.2 | Very low | 62.1 | Low | 140 Ų | 140 | 103.1 Ų | 103.1 | 91% | 0.909 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -76.2 | 63.7 | -173.3 | 32.4 | -37.3 | 0 | 0 | 0 | 112.6 | ||
| 512 | R | 52.3 | Low | 63.5 | Low | 203 Ų | 203 | 101.7 Ų | 101.7 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | trans | -113.8 | 118.5 | 164.4 | -70.8 | -174.1 | 177.4 | -174.5 | -1 | 108.1 | P510 H514 A515 | P510-R512 PolarHBondContact O-N 3.37Å; R512-H514 PolarHBondContact O-N 3.28Å; R512-A515 PolarHBondContact O-N 3.22Å | ||
| 513 | Q | 48.5 | Very low | 65.3 | Low | 190 Ų | 190 | 93.2 Ų | 93.2 | 89% | 0.888 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 126.1 | 173.4 | -68 | 175.4 | -9.4 | 0 | 0 | 109.1 | A515 | Q513-A515 PolarHBondContact O-N 2.92Å; Q513-A515 VanDerWaalsContact O-N 3.09Å |
| 514 | H | 54.3 | Low | 67 | Low | 139 Ų | 139 | 90.3 Ų | 90.3 | 64% | 0.644 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -1 | -175.2 | -56.9 | -73 | 0 | 0 | 0 | 118.6 | R512 G516 L517 | R512-H514 PolarHBondContact O-N 3.28Å; H514-G516 PolarHBondContact O-N 3.34Å; H514-L517 WeakPolarHBondContact O-CB 3.11Å; H514-L517 PolarHBondContact O-N 3.02Å |
| 515 | A | 61.2 | Low | 69.2 | Low | 24 Ų | 24 | 87.3 Ų | 87.3 | 20% | 0.198 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 15.2 | 167 | 0 | 0 | 0 | 0 | 0 | 118.2 | Y497 R512 Q513 | Y497-A515 HydrophobicContact CD2-CB 4.34Å; Y497-A515 WeakPolarHBondContact CD2-O 3.49Å; Y497-A515 HydrophobicContact CE2-CB 3.71Å; R512-A515 PolarHBondContact O-N 3.22Å; Q513-A515 PolarHBondContact O-N 2.92Å; Q513-A515 VanDerWaalsContact O-N 3.09Å |
| 516 | G | 71.3 | Confident | 71.6 | Confident | 44 Ų | 44 | 80 Ų | 80 | 45% | 0.454 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 3.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H514 N605 | H514-G516 PolarHBondContact O-N 3.34Å; G516-N605 PolarHBondContact O-ND2 3.42Å |
| 517 | L | 85.8 | Confident | 73.9 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 152.8 | 175 | -59.4 | -179.1 | 0 | 0 | 0 | 111.8 | Y497 H514 L621 N625 Y626 | Y497-L517 HydrophobicContact CD1-CD2 3.85Å; Y497-L517 HydrophobicContact CD1-CG 4.26Å; Y497-L517 HydrophobicContact CE1-CD1 4.12Å; Y497-L517 HydrophobicContact CE1-CD2 4.1Å; Y497-L517 HydrophobicContact CE1-CG 4.15Å; H514-L517 WeakPolarHBondContact O-CB 3.11Å; H514-L517 PolarHBondContact O-N 3.02Å; L517-L621 HydrophobicContact CD1-CD2 3.97Å; L517-L621 HydrophobicContact CD2-CD2 4.06Å; L517-N625 HydrophobicContact CD1-CB 3.77Å; L517-Y626 HydrophobicContact CD1-CE2 4.44Å |
| 518 | L | 90.3 | Very high | 76.3 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 142.2 | -179.4 | -62.3 | -178.9 | 0 | 0 | 0 | 112 | H488 E520 I523 L602 Y626 | H488-L518 HydrophobicContact CB-CD1 4.41Å; L518-E520 PolarHBondContact O-N 2.85Å; L518-I523 HydrophobicContact CB-CD1 4.3Å; L518-I523 HydrophobicContact CB-CG1 4.27Å; L518-L602 HydrophobicContact CD1-CB 4.15Å; L518-L602 HydrophobicContact CD1-CD2 3.59Å; L518-Y626 WeakPolarHBondContact O-CE1 3.24Å; L518-Y626 PolarHBondContact O-OH 3.21Å; L518-Y626 VanDerWaalsContact O-OH 3.09Å |
| 519 | P | 92.3 | Very high | 78.5 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 134.8 | 175.9 | -24.3 | 34.5 | 0 | 0 | 0 | 112.7 | S521 L522 I523 | P519-S521 PolarHBondContact O-N 3.03Å; P519-L522 WeakPolarHBondContact O-CB 3.45Å; P519-L522 PolarHBondContact O-N 2.92Å; P519-I523 PolarHBondContact O-N 2.76Å |
| 520 | E | 93.6 | Very high | 80.7 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -35.1 | -176.7 | -162.4 | -176.7 | 123 | 0 | 0 | 113 | L518 L522 I523 W524 Y626 S627 L630 | L518-E520 PolarHBondContact O-N 2.85Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.08Å; E520-I523 PolarHBondContact O-N 3.44Å; E520-I523 VanDerWaalsContact O-N 3.17Å; E520-W524 PolarHBondContact O-N 2.69Å; E520-W524 PolarHBondContact OE1-NE1 2.82Å; E520-Y626 HydrophobicContact CB-CD1 3.86Å; E520-Y626 HydrophobicContact CB-CE1 4.27Å; E520-Y626 HydrophobicContact CG-CD1 3.84Å; E520-S627 VanDerWaalsContact CD-OG 3.25Å; E520-S627 VanDerWaalsContact OE1-CB 3.32Å; E520-S627 WeakPolarHBondContact OE1-CB 3.3Å; E520-S627 PolarHBondContact OE1-OG 2.86Å; E520-S627 WeakPolarHBondContact OE2-CB 3.47Å; E520-S627 PolarHBondContact OE2-N 2.92Å; E520-S627 PolarHBondContact OE2-OG 2.78Å; E520-L630 HydrophobicContact CG-CD2 4.21Å |
| 521 | S | 93 | Very high | 83 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.7 | -35.5 | 175.1 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | P519 A525 | P519-S521 PolarHBondContact O-N 3.03Å; S521-A525 WeakPolarHBondContact O-CB 3.47Å; S521-A525 PolarHBondContact O-N 3Å |
| 522 | L | 93.4 | Very high | 85.5 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | 175.3 | -175.6 | 63.6 | 0 | 0 | 0 | 111.1 | P519 E520 A525 Y526 T558 | P519-L522 WeakPolarHBondContact O-CB 3.45Å; P519-L522 PolarHBondContact O-N 2.92Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.08Å; L522-A525 PolarHBondContact O-N 3.28Å; L522-Y526 HydrophobicContact CD1-CD1 4.36Å; L522-Y526 HydrophobicContact CD1-CE1 3.67Å; L522-Y526 HydrophobicContact CD1-CE2 4.29Å; L522-Y526 HydrophobicContact CD2-CE2 4.31Å; L522-Y526 HydrophobicContact CG-CD2 4.47Å; L522-Y526 HydrophobicContact CG-CE1 4.2Å; L522-Y526 HydrophobicContact CG-CE2 3.93Å; L522-Y526 VanDerWaalsContact O-CG 3.3Å; L522-Y526 PolarHBondContact O-N 2.83Å; L522-T558 HydrophobicContact CD1-CG2 3.78Å |
| 523 | I | 95.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 176.1 | -54.9 | 177.8 | 0 | 0 | 0 | 110.1 | L518 P519 E520 Y526 I527 V599 A603 Y626 L630 | L518-I523 HydrophobicContact CB-CD1 4.3Å; L518-I523 HydrophobicContact CB-CG1 4.27Å; P519-I523 PolarHBondContact O-N 2.76Å; E520-I523 PolarHBondContact O-N 3.44Å; E520-I523 VanDerWaalsContact O-N 3.17Å; I523-Y526 WeakPolarHBondContact O-CB 3.41Å; I523-Y526 PolarHBondContact O-N 3.42Å; I523-I527 HydrophobicContact CG2-CD1 3.88Å; I523-I527 HydrophobicContact CG2-CG1 4.48Å; I523-I527 WeakPolarHBondContact O-CD1 3.3Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.36Å; I523-I527 PolarHBondContact O-N 3.38Å; I523-V599 HydrophobicContact CG2-CG1 4.06Å; I523-A603 HydrophobicContact CD1-CB 4.2Å; I523-Y626 HydrophobicContact CD1-CD1 4.41Å; I523-Y626 HydrophobicContact CD1-CE1 3.6Å; I523-L630 HydrophobicContact CD1-CD2 4.25Å; I523-L630 HydrophobicContact CG2-CD1 3.99Å; I523-L630 HydrophobicContact CG2-CD2 4.3Å |
| 524 | W | 95.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 27 Ų | 27 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 173.6 | -74.1 | 120.7 | 0 | 0 | 0 | 113.1 | E520 Y526 I527 V528 D629 L630 L633 I654 R657 | E520-W524 PolarHBondContact O-N 2.69Å; E520-W524 PolarHBondContact OE1-NE1 2.82Å; W524-Y526 PolarHBondContact O-N 2.84Å; W524-I527 HydrophobicContact CD2-CD1 4.27Å; W524-I527 HydrophobicContact CE3-CB 4.28Å; W524-I527 HydrophobicContact CE3-CD1 3.58Å; W524-I527 HydrophobicContact CE3-CG2 4.25Å; W524-I527 HydrophobicContact CZ3-CD1 3.74Å; W524-I527 HydrophobicContact CZ3-CG2 4.31Å; W524-I527 PolarHBondContact O-N 3.1Å; W524-V528 WeakPolarHBondContact O-CG2 3.33Å; W524-V528 PolarHBondContact O-N 3.08Å; W524-D629 HydrophobicContact CH2-CB 4.18Å; W524-D629 HydrophobicContact CZ2-CB 3.8Å; W524-L630 HydrophobicContact CH2-CB 4.37Å; W524-L630 HydrophobicContact CH2-CD1 4.24Å; W524-L630 HydrophobicContact CZ2-CB 3.83Å; W524-L630 HydrophobicContact CZ2-CD1 4.2Å; W524-L633 HydrophobicContact CH2-CB 4.48Å; W524-L633 HydrophobicContact CH2-CD2 4.09Å; W524-L633 HydrophobicContact CZ3-CD2 3.65Å; W524-I654 HydrophobicContact CE3-CG2 4.39Å; W524-I654 HydrophobicContact CZ3-CG2 3.84Å; W524-R657 HydrophobicContact CD2-CG 4.16Å; W524-R657 HydrophobicContact CE3-CG 4.22Å; W524-R657 HydrophobicContact CG-CG 4.31Å |
| 525 | A | 94.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.7 | -35.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S521 L522 Q529 Q661 | S521-A525 WeakPolarHBondContact O-CB 3.47Å; S521-A525 PolarHBondContact O-N 3Å; L522-A525 PolarHBondContact O-N 3.28Å; A525-Q529 WeakPolarHBondContact O-CG 3.49Å; A525-Q529 PolarHBondContact O-N 3.24Å; A525-Q529 PolarHBondContact O-NE2 2.92Å; A525-Q661 VanDerWaalsContact CB-OE1 3.29Å |
| 526 | Y | 96.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.1 | -44.5 | 173.7 | -68.1 | -10.2 | 0 | 0 | 0 | 112.4 | M484 H488 L522 I523 W524 V528 Q529 L530 L560 L602 | M484-Y526 HydrophobicContact CE-CD2 3.77Å; M484-Y526 HydrophobicContact CE-CE2 4.05Å; M484-Y526 HydrophobicContact CE-CG 4.22Å; H488-Y526 PolarHBondContact CE1-OH 2.87Å; H488-Y526 AromaticContact NE2-CE2 3.59Å; H488-Y526 AromaticContact NE2-CZ 3.77Å; H488-Y526 PolarHBondContact NE2-OH 3.47Å; H488-Y526 VanDerWaalsContact NE2-OH 3.08Å; L522-Y526 HydrophobicContact CD1-CD1 4.36Å; L522-Y526 HydrophobicContact CD1-CE1 3.67Å; L522-Y526 HydrophobicContact CD1-CE2 4.29Å; L522-Y526 HydrophobicContact CD2-CE2 4.31Å; L522-Y526 HydrophobicContact CG-CD2 4.47Å; L522-Y526 HydrophobicContact CG-CE1 4.2Å; L522-Y526 HydrophobicContact CG-CE2 3.93Å; L522-Y526 VanDerWaalsContact O-CG 3.3Å; L522-Y526 PolarHBondContact O-N 2.83Å; I523-Y526 WeakPolarHBondContact O-CB 3.41Å; I523-Y526 PolarHBondContact O-N 3.42Å; W524-Y526 PolarHBondContact O-N 2.84Å; Y526-V528 PolarHBondContact O-N 3.22Å; Y526-Q529 PolarHBondContact O-N 3.43Å; Y526-L530 WeakPolarHBondContact O-CB 3.32Å; Y526-L530 WeakPolarHBondContact O-CG 3.49Å; Y526-L530 PolarHBondContact O-N 3.03Å; Y526-L560 HydrophobicContact CD1-CD1 3.63Å; Y526-L560 HydrophobicContact CD1-CD2 3.75Å; Y526-L560 HydrophobicContact CD1-CG 3.64Å; Y526-L560 HydrophobicContact CE1-CD1 4.43Å; Y526-L560 HydrophobicContact CE1-CD2 3.69Å; Y526-L560 HydrophobicContact CE1-CG 4.06Å; Y526-L560 HydrophobicContact CG-CD1 3.7Å; Y526-L560 HydrophobicContact CG-CD2 4.3Å; Y526-L560 HydrophobicContact CG-CG 4.23Å; Y526-L602 HydrophobicContact CD2-CD1 3.96Å; Y526-L602 HydrophobicContact CD2-CD2 4.35Å; Y526-L602 HydrophobicContact CE2-CD2 4.35Å |
| 527 | I | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 176.8 | -70.9 | 159.8 | 0 | 0 | 0 | 111.3 | I523 W524 Q529 L530 S531 V599 L630 L633 I654 | I523-I527 HydrophobicContact CG2-CD1 3.88Å; I523-I527 HydrophobicContact CG2-CG1 4.48Å; I523-I527 WeakPolarHBondContact O-CD1 3.3Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.36Å; I523-I527 PolarHBondContact O-N 3.38Å; W524-I527 HydrophobicContact CD2-CD1 4.27Å; W524-I527 HydrophobicContact CE3-CB 4.28Å; W524-I527 HydrophobicContact CE3-CD1 3.58Å; W524-I527 HydrophobicContact CE3-CG2 4.25Å; W524-I527 HydrophobicContact CZ3-CD1 3.74Å; W524-I527 HydrophobicContact CZ3-CG2 4.31Å; W524-I527 PolarHBondContact O-N 3.1Å; I527-Q529 PolarHBondContact O-N 2.99Å; I527-L530 PolarHBondContact O-N 3.46Å; I527-S531 VanDerWaalsContact O-CB 3.27Å; I527-S531 WeakPolarHBondContact O-CB 3.45Å; I527-S531 PolarHBondContact O-N 3.41Å; I527-S531 PolarHBondContact O-OG 3.35Å; I527-V599 HydrophobicContact CD1-CG1 3.88Å; I527-V599 HydrophobicContact CD1-CG2 4.13Å; I527-V599 HydrophobicContact CG1-CG1 4.3Å; I527-V599 HydrophobicContact CG1-CG2 3.62Å; I527-L630 HydrophobicContact CD1-CD1 3.67Å; I527-L633 HydrophobicContact CD1-CD2 3.94Å; I527-L633 HydrophobicContact CG1-CD2 4.46Å; I527-L633 HydrophobicContact CG2-CD2 3.82Å; I527-I654 HydrophobicContact CG2-CG2 3.86Å |
| 528 | V | 96 | Very high | 95.3 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | -179.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | W524 Y526 S531 S532 R657 F658 Q661 | W524-V528 WeakPolarHBondContact O-CG2 3.33Å; W524-V528 PolarHBondContact O-N 3.08Å; Y526-V528 PolarHBondContact O-N 3.22Å; V528-S531 PolarHBondContact O-OG 3.23Å; V528-S531 VanDerWaalsContact O-OG 3.13Å; V528-S532 WeakPolarHBondContact O-CB 3.48Å; V528-S532 PolarHBondContact O-N 2.81Å; V528-S532 VanDerWaalsContact O-N 3.07Å; V528-R657 HydrophobicContact CG2-CB 3.96Å; V528-F658 HydrophobicContact CG1-CD1 3.57Å; V528-F658 HydrophobicContact CG1-CD2 4.24Å; V528-F658 HydrophobicContact CG1-CE1 3.6Å; V528-F658 HydrophobicContact CG1-CE2 4.27Å; V528-F658 HydrophobicContact CG1-CG 3.91Å; V528-F658 HydrophobicContact CG1-CZ 3.95Å; V528-F658 HydrophobicContact CG2-CD2 4.47Å; V528-Q661 HydrophobicContact CB-CB 4.45Å; V528-Q661 HydrophobicContact CB-CG 4.37Å; V528-Q661 HydrophobicContact CG1-CB 3.87Å; V528-Q661 HydrophobicContact CG1-CG 3.79Å |
| 529 | Q | 96 | Very high | 95.5 | Very high | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.9 | -73.6 | 176.8 | 86.6 | 0 | 0 | 113.2 | N453 A525 Y526 I527 A533 T558 L560 | N453-Q529 HydrophobicContact CB-CB 4.47Å; N453-Q529 PolarHBondContact ND2-OE1 3.25Å; A525-Q529 WeakPolarHBondContact O-CG 3.49Å; A525-Q529 PolarHBondContact O-N 3.24Å; A525-Q529 PolarHBondContact O-NE2 2.92Å; Y526-Q529 PolarHBondContact O-N 3.43Å; I527-Q529 PolarHBondContact O-N 2.99Å; Q529-A533 PolarHBondContact O-N 2.9Å; Q529-T558 PolarHBondContact NE2-O 2.97Å; Q529-L560 HydrophobicContact CB-CB 4.33Å; Q529-L560 HydrophobicContact CB-CD1 4.47Å |
| 530 | L | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.1 | -39.4 | -179.2 | -66.5 | 173.3 | 0 | 0 | 0 | 112.6 | Y526 I527 A533 L534 M547 I552 L560 V562 L595 V598 | Y526-L530 WeakPolarHBondContact O-CB 3.32Å; Y526-L530 WeakPolarHBondContact O-CG 3.49Å; Y526-L530 PolarHBondContact O-N 3.03Å; I527-L530 PolarHBondContact O-N 3.46Å; L530-A533 PolarHBondContact O-N 3.47Å; L530-L534 PolarHBondContact O-N 3.19Å; L530-M547 HydrophobicContact CB-CE 4.33Å; L530-M547 HydrophobicContact CD1-SD 4.19Å; L530-M547 HydrophobicContact CD2-CE 4.18Å; L530-M547 HydrophobicContact CD2-SD 4.05Å; L530-I552 HydrophobicContact CD1-CD1 4.05Å; L530-I552 HydrophobicContact CD2-CD1 4.17Å; L530-I552 HydrophobicContact CD2-CG1 4.2Å; L530-I552 HydrophobicContact CD2-CG2 4.24Å; L530-L560 HydrophobicContact CD1-CD1 4.02Å; L530-L560 HydrophobicContact CD2-CD1 4Å; L530-L560 HydrophobicContact CG-CD1 3.74Å; L530-V562 HydrophobicContact CD2-CG2 3.79Å; L530-L595 HydrophobicContact CB-CD1 3.81Å; L530-L595 HydrophobicContact CD1-CD1 3.83Å; L530-L595 HydrophobicContact CG-CD1 4.48Å; L530-V598 HydrophobicContact CD1-CG1 4.41Å |
| 531 | S | 96.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | I527 V528 A533 L534 R535 V647 I654 | I527-S531 VanDerWaalsContact O-CB 3.27Å; I527-S531 WeakPolarHBondContact O-CB 3.45Å; I527-S531 PolarHBondContact O-N 3.41Å; I527-S531 PolarHBondContact O-OG 3.35Å; V528-S531 PolarHBondContact O-OG 3.23Å; V528-S531 VanDerWaalsContact O-OG 3.13Å; S531-A533 PolarHBondContact O-N 3.22Å; S531-L534 PolarHBondContact O-N 2.9Å; S531-R535 VanDerWaalsContact O-CB 3.32Å; S531-R535 WeakPolarHBondContact O-CB 3.46Å; S531-R535 PolarHBondContact O-N 3.31Å; S531-V647 WeakPolarHBondContact O-CG1 3.39Å; S531-I654 WeakPolarHBondContact OG-CD1 3.27Å |
| 532 | S | 95.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 24.2 Ų | 24.2 | 24% | 0.238 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 170.7 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | H451 V528 R535 T536 | H451-S532 PolarHBondContact NE2-OG 2.88Å; V528-S532 WeakPolarHBondContact O-CB 3.48Å; V528-S532 PolarHBondContact O-N 2.81Å; V528-S532 VanDerWaalsContact O-N 3.07Å; S532-R535 PolarHBondContact O-N 3.23Å; S532-T536 PolarHBondContact O-N 3Å; S532-T536 PolarHBondContact O-OG1 3Å |
| 533 | A | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H451 N453 Q529 L530 S531 R535 T536 I537 | H451-A533 VanDerWaalsContact CE1-CA 3.48Å; H451-A533 WeakPolarHBondContact CE1-CA 3.19Å; H451-A533 PolarHBondContact CE1-N 2.93Å; H451-A533 VanDerWaalsContact CE1-N 3.32Å; N453-A533 HydrophobicContact CB-CB 4.2Å; Q529-A533 PolarHBondContact O-N 2.9Å; L530-A533 PolarHBondContact O-N 3.47Å; S531-A533 PolarHBondContact O-N 3.22Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 2.86Å; A533-T536 PolarHBondContact O-N 3.25Å; A533-I537 WeakPolarHBondContact O-CD1 3.47Å; A533-I537 VanDerWaalsContact O-CG1 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.34Å; A533-I537 PolarHBondContact O-N 2.9Å |
| 534 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 177.2 | -72.8 | -175.3 | 0 | 0 | 0 | 111.8 | L530 S531 T536 I537 H538 C544 M547 D591 L595 V647 | L530-L534 PolarHBondContact O-N 3.19Å; S531-L534 PolarHBondContact O-N 2.9Å; L534-T536 PolarHBondContact O-N 3.33Å; L534-I537 PolarHBondContact O-N 2.93Å; L534-H538 WeakPolarHBondContact O-CB 3.3Å; L534-H538 PolarHBondContact O-CD2 2.97Å; L534-H538 VanDerWaalsContact O-CG 3.26Å; L534-H538 PolarHBondContact O-N 2.99Å; L534-C544 HydrophobicContact CD2-CB 3.52Å; L534-M547 HydrophobicContact CD1-CE 4.02Å; L534-M547 HydrophobicContact CD2-CE 3.67Å; L534-M547 HydrophobicContact CG-CE 3.74Å; L534-D591 HydrophobicContact CD1-CB 4.35Å; L534-D591 HydrophobicContact CD2-CB 3.97Å; L534-L595 HydrophobicContact CD1-CB 4.33Å; L534-L595 HydrophobicContact CD1-CD2 4.06Å; L534-V647 HydrophobicContact CB-CG1 4.25Å; L534-V647 HydrophobicContact CB-CG2 3.75Å |
| 535 | R | 95.9 | Very high | 95.7 | Very high | 122 Ų | 122 | 24.7 Ų | 24.7 | 46% | 0.46 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.5 | -48.8 | 177.9 | -175.7 | 173.2 | 177.5 | -102.9 | -0.8 | 111.1 | S531 S532 A533 H538 T539 V647 N648 | S531-R535 VanDerWaalsContact O-CB 3.32Å; S531-R535 WeakPolarHBondContact O-CB 3.46Å; S531-R535 PolarHBondContact O-N 3.31Å; S532-R535 PolarHBondContact O-N 3.23Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 2.86Å; R535-H538 PolarHBondContact O-N 3.4Å; R535-T539 WeakPolarHBondContact O-CB 3.46Å; R535-T539 PolarHBondContact O-N 3.46Å; R535-T539 PolarHBondContact O-OG1 2.91Å; R535-T539 VanDerWaalsContact O-OG1 3.04Å; R535-V647 HydrophobicContact CB-CB 4.42Å; R535-V647 HydrophobicContact CB-CG1 3.88Å; R535-N648 PolarHBondContact NE-OD1 3.04Å |
| 536 | T | 96.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 24.1 Ų | 24.1 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.9 | -60 | 0 | 0 | 0 | 0 | 112.5 | I449 H451 S532 A533 L534 A540 | I449-T536 HydrophobicContact CG2-CG2 4.28Å; H451-T536 HydrophobicContact CB-CG2 4.37Å; H451-T536 PolarHBondContact CD2-OG1 3.49Å; S532-T536 PolarHBondContact O-N 3Å; S532-T536 PolarHBondContact O-OG1 3Å; A533-T536 PolarHBondContact O-N 3.25Å; L534-T536 PolarHBondContact O-N 3.33Å; T536-A540 WeakPolarHBondContact O-CB 3.44Å; T536-A540 PolarHBondContact O-N 3.5Å; T536-A540 VanDerWaalsContact O-N 3.12Å |
| 537 | I | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 179.3 | -66.2 | 163.2 | 0 | 0 | 0 | 111.1 | W446 I449 A533 L534 A540 L542 C544 | W446-I537 HydrophobicContact CH2-CB 4.42Å; W446-I537 HydrophobicContact CH2-CD1 3.98Å; W446-I537 HydrophobicContact CH2-CG1 3.94Å; W446-I537 HydrophobicContact CH2-CG2 3.57Å; W446-I537 HydrophobicContact CZ2-CG2 4.24Å; W446-I537 HydrophobicContact CZ3-CD1 4.13Å; W446-I537 HydrophobicContact CZ3-CG1 3.91Å; W446-I537 HydrophobicContact CZ3-CG2 4.26Å; I449-I537 HydrophobicContact CD1-CG1 4.43Å; A533-I537 WeakPolarHBondContact O-CD1 3.47Å; A533-I537 VanDerWaalsContact O-CG1 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.34Å; A533-I537 PolarHBondContact O-N 2.9Å; L534-I537 PolarHBondContact O-N 2.93Å; I537-A540 PolarHBondContact O-N 3.37Å; I537-L542 HydrophobicContact CG2-CB 4.01Å; I537-L542 PolarHBondContact O-N 3.23Å; I537-L542 VanDerWaalsContact O-N 3.16Å; I537-C544 HydrophobicContact CD1-CB 4.14Å |
| 538 | H | 95.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.5 | -39.1 | -178.1 | -68.8 | -166.5 | 0 | 0 | 0 | 111.9 | L534 R535 A540 G541 Q588 D591 V647 | L534-H538 WeakPolarHBondContact O-CB 3.3Å; L534-H538 PolarHBondContact O-CD2 2.97Å; L534-H538 VanDerWaalsContact O-CG 3.26Å; L534-H538 PolarHBondContact O-N 2.99Å; R535-H538 PolarHBondContact O-N 3.4Å; H538-A540 PolarHBondContact O-N 2.88Å; H538-G541 PolarHBondContact O-N 3.02Å; H538-G541 VanDerWaalsContact O-N 3.07Å; H538-Q588 PolarHBondContact CE1-O 3.23Å; H538-Q588 PolarHBondContact O-NE2 3.21Å; H538-D591 IonicContact CD2-OD2 3.53Å; H538-D591 IonicContact CE1-OD2 2.7Å; H538-D591 IonicContact NE2-OD2 2.69Å; H538-D591 PolarHBondContact NE2-OD2 3.26Å; H538-V647 VanDerWaalsContact ND1-CG2 3.28Å; H538-V647 WeakPolarHBondContact ND1-CG2 3.46Å |
| 539 | T | 95.2 | Very high | 95.1 | Very high | 114 Ų | 114 | 26.7 Ų | 26.7 | 70% | 0.699 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -63.5 | -29.2 | 172.5 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | R535 G541 | R535-T539 WeakPolarHBondContact O-CB 3.46Å; R535-T539 PolarHBondContact O-N 3.46Å; R535-T539 PolarHBondContact O-OG1 2.91Å; R535-T539 VanDerWaalsContact O-OG1 3.04Å; T539-G541 PolarHBondContact O-N 2.9Å |
| 540 | A | 94.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 35% | 0.347 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 3.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M445 I449 T536 I537 H538 | M445-A540 WeakPolarHBondContact CE-O 3.46Å; I449-A540 HydrophobicContact CD1-CB 3.77Å; I449-A540 HydrophobicContact CG1-CB 4Å; T536-A540 WeakPolarHBondContact O-CB 3.44Å; T536-A540 PolarHBondContact O-N 3.5Å; T536-A540 VanDerWaalsContact O-N 3.12Å; I537-A540 PolarHBondContact O-N 3.37Å; H538-A540 PolarHBondContact O-N 2.88Å |
| 541 | G | 93.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 28.9 Ų | 28.9 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 22.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H538 T539 | H538-G541 PolarHBondContact O-N 3.02Å; H538-G541 VanDerWaalsContact O-N 3.07Å; T539-G541 PolarHBondContact O-N 2.9Å |
| 542 | L | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -119.9 | 174.4 | 178.2 | -69.3 | 172.1 | 0 | 0 | 0 | 111.1 | L442 M445 W446 I449 I537 M584 Q588 | L442-L542 HydrophobicContact CD2-CD2 4.07Å; M445-L542 HydrophobicContact CB-CD1 3.78Å; M445-L542 HydrophobicContact CB-CG 4.46Å; M445-L542 HydrophobicContact CE-CD2 4.12Å; M445-L542 HydrophobicContact CE-CG 4.04Å; W446-L542 HydrophobicContact CD2-CD1 3.83Å; W446-L542 HydrophobicContact CE3-CD1 4.41Å; W446-L542 HydrophobicContact CG-CD1 3.93Å; W446-L542 HydrophobicContact CZ2-CB 4.22Å; W446-L542 HydrophobicContact CZ2-CD1 4.36Å; I449-L542 HydrophobicContact CD1-CD1 3.72Å; I537-L542 HydrophobicContact CG2-CB 4.01Å; I537-L542 PolarHBondContact O-N 3.23Å; I537-L542 VanDerWaalsContact O-N 3.16Å; L542-M584 HydrophobicContact CD2-CE 4.02Å; L542-Q588 PolarHBondContact O-NE2 3.18Å | ||
| 543 | A | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -131.6 | 144.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | W446 R545 M584 Y587 Q588 D591 | W446-A543 WeakPolarHBondContact CZ2-O 3.27Å; A543-R545 HydrophobicContact CB-CG 3.99Å; A543-M584 HydrophobicContact CB-CG 4.27Å; A543-M584 HydrophobicContact CB-SD 3.55Å; A543-M584 VanDerWaalsContact CB-SD 3.55Å; A543-M584 PolarHBondContact N-SD 3.09Å; A543-Y587 VanDerWaalsContact CB-CB 3.42Å; A543-Q588 HydrophobicContact CB-CG 3.97Å; A543-D591 WeakPolarHBondContact CA-OD2 3.39Å | ||
| 544 | C | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -67.9 | -47.7 | -174.1 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | L534 I537 V546 D591 | L534-C544 HydrophobicContact CD2-CB 3.52Å; I537-C544 HydrophobicContact CD1-CB 4.14Å; C544-V546 PolarHBondContact O-N 3.13Å; C544-D591 WeakPolarHBondContact CB-OD1 3.33Å; C544-D591 PolarHBondContact N-OD1 3.36Å; C544-D591 PolarHBondContact N-OD2 3.24Å | ||
| 545 | R | 93.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 28.8 Ų | 28.8 | 20% | 0.204 | 16% | 0.161 | C | C | . | . | trans | 61.1 | -11.1 | 177 | -53.2 | 179.2 | 71.9 | -167.9 | -2.4 | 116 | A543 F568 T572 Y587 D591 | A543-R545 HydrophobicContact CB-CG 3.99Å; R545-F568 HydrophobicContact CB-CB 4.17Å; R545-F568 HydrophobicContact CB-CD2 3.73Å; R545-F568 HydrophobicContact CB-CG 4.35Å; R545-F568 PolarHBondContact NH1-O 3.03Å; R545-F568 WeakPolarHBondContact O-CD2 3.29Å; R545-F568 WeakPolarHBondContact O-CE2 3.48Å; R545-T572 PolarHBondContact NH1-OG1 2.96Å; R545-T572 VanDerWaalsContact NH1-OG1 3.11Å; R545-T572 PolarHBondContact NH2-OG1 2.8Å; R545-Y587 HydrophobicContact CG-CG 4.34Å; R545-D591 PolarHBondContact N-OD1 3.42Å | ||
| 546 | V | 92.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | trans | -117.3 | 25.3 | -178.1 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | F406 C544 D548 K551 V562 N563 C564 V565 F568 | F406-V546 HydrophobicContact CE1-CG1 4.04Å; F406-V546 HydrophobicContact CZ-CG1 4.34Å; C544-V546 PolarHBondContact O-N 3.13Å; V546-D548 VanDerWaalsContact C-N 3.31Å; V546-D548 PolarHBondContact O-N 2.78Å; V546-K551 HydrophobicContact CB-CB 4.48Å; V546-K551 WeakPolarHBondContact O-CB 3.2Å; V546-V562 HydrophobicContact CG2-CG1 3.77Å; V546-N563 VanDerWaalsContact CG2-O 3.28Å; V546-N563 WeakPolarHBondContact CG2-O 3.45Å; V546-C564 HydrophobicContact CG1-CB 4.48Å; V546-C564 WeakPolarHBondContact CG1-O 3.47Å; V546-V565 HydrophobicContact CG2-CG1 4.14Å; V546-F568 HydrophobicContact CG1-CD2 3.59Å; V546-F568 HydrophobicContact CG1-CE2 3.71Å | ||
| 547 | M | 94.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | trans | -73.1 | 78.4 | -179.5 | -173.6 | 60.5 | 71.3 | 0 | 0 | 111.8 | L530 L534 I552 V562 L595 V598 | L530-M547 HydrophobicContact CB-CE 4.33Å; L530-M547 HydrophobicContact CD1-SD 4.19Å; L530-M547 HydrophobicContact CD2-CE 4.18Å; L530-M547 HydrophobicContact CD2-SD 4.05Å; L534-M547 HydrophobicContact CD1-CE 4.02Å; L534-M547 HydrophobicContact CD2-CE 3.67Å; L534-M547 HydrophobicContact CG-CE 3.74Å; M547-I552 HydrophobicContact SD-CD1 3.87Å; M547-I552 HydrophobicContact SD-CG1 4.35Å; M547-V562 HydrophobicContact CE-CG2 4.18Å; M547-L595 HydrophobicContact CG-CB 4.33Å; M547-L595 HydrophobicContact SD-CD1 4.41Å; M547-V598 HydrophobicContact CG-CG2 4.35Å | ||
| 548 | D | 91.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -142.1 | 145.6 | -174.1 | 173.3 | -96.7 | 0 | 0 | 0 | 111.4 | N405 V546 S550 K551 I552 | N405-D548 PolarHBondContact ND2-OD1 2.63Å; V546-D548 VanDerWaalsContact C-N 3.31Å; V546-D548 PolarHBondContact O-N 2.78Å; D548-S550 PolarHBondContact O-N 3.31Å; D548-S550 VanDerWaalsContact O-N 3.14Å; D548-S550 WeakPolarHBondContact OD1-CA 3.24Å; D548-S550 VanDerWaalsContact OD1-CB 3.26Å; D548-S550 WeakPolarHBondContact OD1-CB 3.32Å; D548-S550 PolarHBondContact OD1-N 3.21Å; D548-S550 PolarHBondContact OD1-OG 3.4Å; D548-K551 HydrophobicContact CB-CG 4.4Å; D548-K551 CarbonylContact O-C 3.59Å; D548-K551 PolarHBondContact O-N 3.32Å; D548-I552 WeakPolarHBondContact O-CG1 3.38Å; D548-I552 PolarHBondContact O-N 2.98Å |
| 549 | P | 92.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25 | -177 | -25.2 | 37.2 | 0 | 0 | 0 | 114.6 | M484 F485 F489 K551 V598 L607 | M484-P549 CarbonylContact C-O 3.6Å; M484-P549 HydrophobicContact CB-CB 4.33Å; M484-P549 WeakPolarHBondContact CB-O 3.37Å; M484-P549 HydrophobicContact CG-CB 4.2Å; M484-P549 PolarHBondContact N-O 3.01Å; M484-P549 HydrophobicContact SD-CB 4.43Å; F485-P549 HydrophobicContact CB-CB 4.2Å; F485-P549 PolarHBondContact N-O 3.41Å; F489-P549 HydrophobicContact CD2-CB 4.45Å; F489-P549 HydrophobicContact CE2-CB 4.18Å; F489-P549 HydrophobicContact CE2-CG 4.44Å; P549-K551 PolarHBondContact O-N 3.17Å; P549-V598 HydrophobicContact CG-CG2 4.26Å; P549-L607 HydrophobicContact CG-CD2 4.12Å |
| 550 | S | 90.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.2 | 175.1 | 77.5 | 0 | 0 | 0 | 0 | 113.6 | N405 D548 | N405-S550 PolarHBondContact ND2-OG 3.03Å; D548-S550 PolarHBondContact O-N 3.31Å; D548-S550 VanDerWaalsContact O-N 3.14Å; D548-S550 WeakPolarHBondContact OD1-CA 3.24Å; D548-S550 VanDerWaalsContact OD1-CB 3.26Å; D548-S550 WeakPolarHBondContact OD1-CB 3.32Å; D548-S550 PolarHBondContact OD1-N 3.21Å; D548-S550 PolarHBondContact OD1-OG 3.4Å |
| 551 | K | 93.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 12% | 0.122 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -17.6 | -178.3 | -57.9 | -66.6 | 157.7 | -70.3 | 0 | 113 | F406 V546 D548 P549 N563 C564 | F406-K551 HydrophobicContact CE2-CD 4.1Å; F406-K551 HydrophobicContact CZ-CD 4.03Å; V546-K551 HydrophobicContact CB-CB 4.48Å; V546-K551 WeakPolarHBondContact O-CB 3.2Å; D548-K551 HydrophobicContact CB-CG 4.4Å; D548-K551 CarbonylContact O-C 3.59Å; D548-K551 PolarHBondContact O-N 3.32Å; P549-K551 PolarHBondContact O-N 3.17Å; K551-N563 WeakPolarHBondContact O-CB 3.45Å; K551-N563 PolarHBondContact O-N 2.93Å; K551-C564 HydrophobicContact CD-CB 4.18Å |
| 552 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123 | 163.7 | -58.8 | 159.9 | 0 | 0 | 0 | 108.5 | T483 M484 L530 M547 D548 L560 V598 | T483-I552 CarbonylContact C-O 3.52Å; T483-I552 WeakPolarHBondContact CA-O 3.03Å; M484-I552 HydrophobicContact CB-CB 4.09Å; M484-I552 HydrophobicContact CB-CG2 4.21Å; M484-I552 HydrophobicContact CE-CD1 4.38Å; M484-I552 HydrophobicContact CE-CG2 3.82Å; M484-I552 PolarHBondContact N-O 3.34Å; M484-I552 HydrophobicContact SD-CB 4.36Å; M484-I552 HydrophobicContact SD-CD1 3.88Å; M484-I552 HydrophobicContact SD-CG2 4.29Å; L530-I552 HydrophobicContact CD1-CD1 4.05Å; L530-I552 HydrophobicContact CD2-CD1 4.17Å; L530-I552 HydrophobicContact CD2-CG1 4.2Å; L530-I552 HydrophobicContact CD2-CG2 4.24Å; M547-I552 HydrophobicContact SD-CD1 3.87Å; M547-I552 HydrophobicContact SD-CG1 4.35Å; D548-I552 WeakPolarHBondContact O-CG1 3.38Å; D548-I552 PolarHBondContact O-N 2.98Å; I552-L560 HydrophobicContact CG2-CB 4.38Å; I552-L560 HydrophobicContact CG2-CD1 4.24Å; I552-L560 HydrophobicContact CG2-CD2 4.08Å; I552-L560 HydrophobicContact CG2-CG 4.48Å; I552-V598 HydrophobicContact CD1-CG1 3.86Å; I552-V598 HydrophobicContact CD1-CG2 4.16Å |
| 553 | L | 95.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 149.3 | 174 | -64.7 | 179.9 | 0 | 0 | 0 | 111.4 | V455 A481 E482 T483 L560 R561 N563 | V455-L553 HydrophobicContact CG2-CD1 4.19Å; A481-L553 HydrophobicContact CB-CB 4.35Å; A481-L553 HydrophobicContact CB-CD1 4.1Å; A481-L553 HydrophobicContact CB-CD2 4.47Å; E482-L553 CarbonylContact O-C 3.49Å; E482-L553 VanDerWaalsContact O-CA 3.3Å; E482-L553 WeakPolarHBondContact O-CA 3.14Å; T483-L553 HydrophobicContact CG2-CD2 3.97Å; L553-L560 CarbonylContact O-C 3.39Å; L553-L560 VanDerWaalsContact O-CA 3.3Å; L553-L560 WeakPolarHBondContact O-CA 3.4Å; L553-R561 PolarHBondContact N-O 3.45Å; L553-R561 PolarHBondContact O-N 2.86Å; L553-N563 HydrophobicContact CD1-CB 3.87Å; L553-N563 HydrophobicContact CG-CB 3.96Å |
| 554 | I | 95.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.1 | 175.2 | -46.6 | -164 | 0 | 0 | 0 | 108.2 | A481 E482 M484 R487 R559 L560 | A481-I554 WeakPolarHBondContact CA-O 3.28Å; E482-I554 PolarHBondContact N-O 2.81Å; E482-I554 PolarHBondContact O-N 3.24Å; M484-I554 HydrophobicContact CB-CD1 3.95Å; M484-I554 HydrophobicContact CB-CG1 4.2Å; M484-I554 HydrophobicContact CE-CD1 4.46Å; M484-I554 HydrophobicContact CG-CD1 4.23Å; R487-I554 HydrophobicContact CB-CD1 4.01Å; R487-I554 HydrophobicContact CG-CD1 4.05Å; I554-R559 WeakPolarHBondContact CA-O 3.26Å; I554-L560 HydrophobicContact CB-CD2 4.41Å; I554-L560 HydrophobicContact CD1-CD2 3.87Å; I554-L560 HydrophobicContact CG1-CD2 3.63Å; I554-L560 HydrophobicContact CG2-CD2 4.43Å |
| 555 | T | 89.3 | Confident | 92.5 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.9 | 175.7 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | H478 A481 R559 R561 | H478-T555 HydrophobicContact CB-CG2 4.38Å; A481-T555 HydrophobicContact CB-CG2 3.69Å; T555-R559 PolarHBondContact N-O 2.8Å; T555-R561 PolarHBondContact OG1-NH1 3.02Å |
| 556 | G | 82.9 | Confident | 92.4 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -149.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 557 | K | 82.6 | Confident | 92.5 | Very high | 136 Ų | 136 | 24 Ų | 24 | 59% | 0.591 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -44 | -169.1 | -55.5 | -174.1 | -176.7 | -175.8 | 0 | 114.8 | E354 | E354-K557 WeakPolarHBondContact OE1-CE 3.36Å; E354-K557 IonicContact OE1-NZ 2.61Å; E354-K557 PolarHBondContact OE1-NZ 3.03Å; E354-K557 IonicContact OE2-NZ 3.59Å; E354-K557 PolarHBondContact OE2-NZ 3.11Å |
| 558 | T | 88.1 | Confident | 92.5 | Very high | 54 Ų | 54 | 25.5 Ų | 25.5 | 33% | 0.331 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | -5.6 | -167.1 | 57.1 | 0 | 0 | 0 | 0 | 116.5 | L522 Q529 L560 | L522-T558 HydrophobicContact CD1-CG2 3.78Å; Q529-T558 PolarHBondContact NE2-O 2.97Å; T558-L560 PolarHBondContact O-N 2.72Å |
| 559 | R | 92.1 | Very high | 92.5 | Very high | 92 Ų | 92 | 23.3 Ų | 23.3 | 35% | 0.347 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.1 | -173.7 | -179 | 178.1 | 173.4 | -174 | -2.6 | 111.3 | S452 I554 T555 | S452-R559 PolarHBondContact O-NE 3.33Å; S452-R559 PolarHBondContact O-NH2 3.11Å; I554-R559 WeakPolarHBondContact CA-O 3.26Å; T555-R559 PolarHBondContact N-O 2.8Å |
| 560 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 152.2 | 176.2 | -60.7 | -169.9 | 0 | 0 | 0 | 112.9 | N453 M484 Y526 Q529 L530 I552 L553 I554 T558 | N453-L560 WeakPolarHBondContact CA-O 3.46Å; N453-L560 PolarHBondContact ND2-O 3.26Å; M484-L560 HydrophobicContact CE-CD1 3.84Å; M484-L560 HydrophobicContact CE-CD2 3.83Å; Y526-L560 HydrophobicContact CD1-CD1 3.63Å; Y526-L560 HydrophobicContact CD1-CD2 3.75Å; Y526-L560 HydrophobicContact CD1-CG 3.64Å; Y526-L560 HydrophobicContact CE1-CD1 4.43Å; Y526-L560 HydrophobicContact CE1-CD2 3.69Å; Y526-L560 HydrophobicContact CE1-CG 4.06Å; Y526-L560 HydrophobicContact CG-CD1 3.7Å; Y526-L560 HydrophobicContact CG-CD2 4.3Å; Y526-L560 HydrophobicContact CG-CG 4.23Å; Q529-L560 HydrophobicContact CB-CB 4.33Å; Q529-L560 HydrophobicContact CB-CD1 4.47Å; L530-L560 HydrophobicContact CD1-CD1 4.02Å; L530-L560 HydrophobicContact CD2-CD1 4Å; L530-L560 HydrophobicContact CG-CD1 3.74Å; I552-L560 HydrophobicContact CG2-CB 4.38Å; I552-L560 HydrophobicContact CG2-CD1 4.24Å; I552-L560 HydrophobicContact CG2-CD2 4.08Å; I552-L560 HydrophobicContact CG2-CG 4.48Å; L553-L560 CarbonylContact O-C 3.39Å; L553-L560 VanDerWaalsContact O-CA 3.3Å; L553-L560 WeakPolarHBondContact O-CA 3.4Å; I554-L560 HydrophobicContact CB-CD2 4.41Å; I554-L560 HydrophobicContact CD1-CD2 3.87Å; I554-L560 HydrophobicContact CG1-CD2 3.63Å; I554-L560 HydrophobicContact CG2-CD2 4.43Å; T558-L560 PolarHBondContact O-N 2.72Å |
| 561 | R | 96.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 6% | 0.06 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.9 | 157.3 | -65.8 | 173.2 | -164.2 | 74.8 | -26.3 | 111.6 | N453 V455 H478 L553 T555 | N453-R561 CarbonylContact O-C 3.5Å; N453-R561 VanDerWaalsContact O-CA 3.26Å; N453-R561 WeakPolarHBondContact O-CA 3.49Å; V455-R561 HydrophobicContact CG2-CB 3.84Å; H478-R561 WeakPolarHBondContact CD2-CD 3.35Å; H478-R561 PolarHBondContact CD2-NE 3.28Å; H478-R561 VanDerWaalsContact CD2-NE 3.28Å; H478-R561 WeakPolarHBondContact NE2-CD 3.5Å; H478-R561 PolarHBondContact NE2-NE 2.75Å; L553-R561 PolarHBondContact N-O 3.45Å; L553-R561 PolarHBondContact O-N 2.86Å; T555-R561 PolarHBondContact OG1-NH1 3.02Å |
| 562 | V | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.3 | 169.1 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | N453 V455 L530 V546 M547 V565 | N453-V562 PolarHBondContact O-N 3.27Å; V455-V562 PolarHBondContact N-O 2.7Å; L530-V562 HydrophobicContact CD2-CG2 3.79Å; V546-V562 HydrophobicContact CG2-CG1 3.77Å; M547-V562 HydrophobicContact CE-CG2 4.18Å; V562-V565 HydrophobicContact CG1-CG1 4.11Å |
| 563 | N | 94.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | trans | -104.1 | 167.1 | 177.4 | -168.6 | 11.9 | 0 | 0 | 0 | 111.1 | V455 V546 K551 L553 V565 | V455-N563 HydrophobicContact CB-CB 4.46Å; V455-N563 HydrophobicContact CG2-CB 3.86Å; V546-N563 VanDerWaalsContact CG2-O 3.28Å; V546-N563 WeakPolarHBondContact CG2-O 3.45Å; K551-N563 WeakPolarHBondContact O-CB 3.45Å; K551-N563 PolarHBondContact O-N 2.93Å; L553-N563 HydrophobicContact CD1-CB 3.87Å; L553-N563 HydrophobicContact CG-CB 3.96Å; N563-V565 VanDerWaalsContact C-N 3.28Å; N563-V565 PolarHBondContact O-N 3.05Å | ||
| 564 | C | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 65.7 | 21.3 | 178.7 | -49 | 0 | 0 | 0 | 0 | 115.1 | F406 R427 Y475 V546 K551 V567 | F406-C564 HydrophobicContact CE2-CB 4.42Å; F406-C564 HydrophobicContact CZ-CB 3.74Å; R427-C564 PolarHBondContact NE-SG 3.46Å; Y475-C564 WeakPolarHBondContact OH-CA 3.39Å; V546-C564 HydrophobicContact CG1-CB 4.48Å; V546-C564 WeakPolarHBondContact CG1-O 3.47Å; K551-C564 HydrophobicContact CD-CB 4.18Å; C564-V567 HydrophobicContact CB-CG2 4.06Å; C564-V567 WeakPolarHBondContact O-CB 3.43Å; C564-V567 VanDerWaalsContact O-CG2 3.27Å; C564-V567 WeakPolarHBondContact O-CG2 3.41Å; C564-V567 PolarHBondContact O-N 2.9Å |
| 565 | V | 94.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 143 | 173.5 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | W446 T454 Y475 V546 V562 N563 V567 | W446-V565 HydrophobicContact CD2-CB 4.36Å; W446-V565 HydrophobicContact CE3-CB 3.86Å; W446-V565 HydrophobicContact CE3-CG2 3.87Å; W446-V565 HydrophobicContact CH2-CB 3.68Å; W446-V565 HydrophobicContact CH2-CG1 3.96Å; W446-V565 HydrophobicContact CZ2-CB 4.18Å; W446-V565 HydrophobicContact CZ3-CB 3.51Å; W446-V565 HydrophobicContact CZ3-CG1 3.94Å; W446-V565 HydrophobicContact CZ3-CG2 3.87Å; T454-V565 HydrophobicContact CG2-CG1 3.98Å; T454-V565 HydrophobicContact CG2-CG2 3.92Å; Y475-V565 HydrophobicContact CE1-CG2 4.19Å; Y475-V565 PolarHBondContact OH-O 2.79Å; V546-V565 HydrophobicContact CG2-CG1 4.14Å; V562-V565 HydrophobicContact CG1-CG1 4.11Å; N563-V565 VanDerWaalsContact C-N 3.28Å; N563-V565 PolarHBondContact O-N 3.05Å; V565-V567 VanDerWaalsContact C-N 3.28Å; V565-V567 PolarHBondContact O-N 3.47Å |
| 566 | G | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -7.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D569 V570 | G566-D569 WeakPolarHBondContact CA-OD2 3.46Å; G566-V570 PolarHBondContact O-N 2.91Å |
| 567 | V | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -49.9 | 179.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | F406 I429 F473 Y475 C564 V565 D569 V570 L571 | F406-V567 HydrophobicContact CD1-CG1 3.73Å; F406-V567 HydrophobicContact CE1-CB 4Å; F406-V567 HydrophobicContact CE1-CG1 3.6Å; F406-V567 HydrophobicContact CG-CG1 4.35Å; F406-V567 HydrophobicContact CZ-CB 4.36Å; F406-V567 HydrophobicContact CZ-CG1 4.11Å; I429-V567 HydrophobicContact CD1-CG1 4.45Å; F473-V567 HydrophobicContact CD1-CG2 4.04Å; F473-V567 HydrophobicContact CD2-CG2 4.26Å; F473-V567 HydrophobicContact CE1-CB 4.41Å; F473-V567 HydrophobicContact CE1-CG2 4.05Å; F473-V567 HydrophobicContact CE2-CG1 4.45Å; F473-V567 HydrophobicContact CE2-CG2 4.26Å; F473-V567 HydrophobicContact CG-CG2 4.17Å; F473-V567 HydrophobicContact CZ-CB 4.32Å; F473-V567 HydrophobicContact CZ-CG1 4.37Å; F473-V567 HydrophobicContact CZ-CG2 4.16Å; Y475-V567 WeakPolarHBondContact OH-CG2 3.16Å; C564-V567 HydrophobicContact CB-CG2 4.06Å; C564-V567 WeakPolarHBondContact O-CB 3.43Å; C564-V567 VanDerWaalsContact O-CG2 3.27Å; C564-V567 WeakPolarHBondContact O-CG2 3.41Å; C564-V567 PolarHBondContact O-N 2.9Å; V565-V567 VanDerWaalsContact C-N 3.28Å; V565-V567 PolarHBondContact O-N 3.47Å; V567-D569 VanDerWaalsContact C-N 3.32Å; V567-D569 PolarHBondContact O-N 3.25Å; V567-V570 PolarHBondContact O-N 3.03Å; V567-L571 HydrophobicContact CG1-CD1 3.44Å; V567-L571 VanDerWaalsContact CG1-CD1 3.44Å; V567-L571 HydrophobicContact CG1-CG 3.97Å; V567-L571 WeakPolarHBondContact O-CB 3.45Å; V567-L571 WeakPolarHBondContact O-CG 3.47Å; V567-L571 PolarHBondContact O-N 3.08Å |
| 568 | F | 92.9 | Very high | 90.1 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.8 | -32 | -179.8 | -76 | -61.8 | 0 | 0 | 0 | 113 | N405 F406 R545 V546 V570 L571 T572 | N405-F568 WeakPolarHBondContact O-CZ 3.49Å; F406-F568 HydrophobicContact CD1-CD1 4.4Å; F406-F568 AromaticContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE2 4.15Å; F406-F568 AromaticContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CE1-CD2 4.29Å; F406-F568 HydrophobicContact CE1-CE1 4.42Å; F406-F568 AromaticContact CE1-CE2 3.9Å; F406-F568 HydrophobicContact CE1-CE2 3.9Å; F406-F568 AromaticContact CE1-CZ 3.98Å; F406-F568 HydrophobicContact CE1-CZ 3.98Å; R545-F568 HydrophobicContact CB-CB 4.17Å; R545-F568 HydrophobicContact CB-CD2 3.73Å; R545-F568 HydrophobicContact CB-CG 4.35Å; R545-F568 PolarHBondContact NH1-O 3.03Å; R545-F568 WeakPolarHBondContact O-CD2 3.29Å; R545-F568 WeakPolarHBondContact O-CE2 3.48Å; V546-F568 HydrophobicContact CG1-CD2 3.59Å; V546-F568 HydrophobicContact CG1-CE2 3.71Å; F568-V570 PolarHBondContact O-N 3.5Å; F568-L571 PolarHBondContact O-N 3.48Å; F568-T572 HydrophobicContact CD1-CG2 4.12Å; F568-T572 WeakPolarHBondContact O-CB 3.49Å; F568-T572 PolarHBondContact O-N 3.23Å; F568-T572 PolarHBondContact O-OG1 2.92Å |
| 569 | D | 92 | Very high | 89.8 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -28 | 176.5 | -55.2 | -114 | 0 | 0 | 0 | 112.7 | L442 W446 G566 V567 | L442-D569 HydrophobicContact CB-CB 4.23Å; L442-D569 HydrophobicContact CD1-CB 3.99Å; W446-D569 PolarHBondContact NE1-OD1 3.25Å; W446-D569 PolarHBondContact NE1-OD2 3.36Å; G566-D569 WeakPolarHBondContact CA-OD2 3.46Å; V567-D569 VanDerWaalsContact C-N 3.32Å; V567-D569 PolarHBondContact O-N 3.25Å |
| 570 | V | 92.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -94.9 | -48.4 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | L434 C439 V443 L471 F473 G566 V567 F568 T572 F573 | L434-V570 HydrophobicContact CD1-CG1 4.16Å; C439-V570 HydrophobicContact CB-CG2 4.42Å; V443-V570 HydrophobicContact CG2-CG2 3.62Å; L471-V570 HydrophobicContact CD2-CG1 3.8Å; F473-V570 HydrophobicContact CE1-CB 4.32Å; F473-V570 HydrophobicContact CE1-CG2 4.11Å; F473-V570 HydrophobicContact CZ-CB 4Å; F473-V570 HydrophobicContact CZ-CG1 4.35Å; F473-V570 HydrophobicContact CZ-CG2 4.28Å; G566-V570 PolarHBondContact O-N 2.91Å; V567-V570 PolarHBondContact O-N 3.03Å; F568-V570 PolarHBondContact O-N 3.5Å; V570-T572 VanDerWaalsContact C-N 3.3Å; V570-T572 PolarHBondContact O-N 2.53Å; V570-F573 WeakPolarHBondContact O-CB 3.37Å; V570-F573 PolarHBondContact O-N 3.26Å |
| 571 | L | 90.9 | Very high | 88.6 | Confident | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.6 | -23.1 | -174.6 | -65.6 | -173.9 | 0 | 0 | 0 | 114.3 | F406 Y408 I429 F432 L471 V567 F568 | F406-L571 HydrophobicContact CB-CD1 4.46Å; Y408-L571 HydrophobicContact CD2-CD1 3.96Å; Y408-L571 HydrophobicContact CD2-CD2 4.42Å; Y408-L571 HydrophobicContact CE2-CD1 4.31Å; Y408-L571 HydrophobicContact CE2-CD2 4.24Å; I429-L571 HydrophobicContact CD1-CD1 4.34Å; I429-L571 HydrophobicContact CG1-CD1 4.42Å; I429-L571 HydrophobicContact CG1-CD2 4.38Å; I429-L571 HydrophobicContact CG2-CD1 4.39Å; I429-L571 HydrophobicContact CG2-CD2 4.16Å; F432-L571 HydrophobicContact CD2-CD2 3.53Å; F432-L571 HydrophobicContact CE1-CD2 4.42Å; F432-L571 HydrophobicContact CE2-CD2 3.37Å; F432-L571 HydrophobicContact CG-CD2 4.14Å; F432-L571 HydrophobicContact CZ-CD2 3.85Å; L471-L571 HydrophobicContact CD2-CD2 4.01Å; V567-L571 HydrophobicContact CG1-CD1 3.44Å; V567-L571 VanDerWaalsContact CG1-CD1 3.44Å; V567-L571 HydrophobicContact CG1-CG 3.97Å; V567-L571 WeakPolarHBondContact O-CB 3.45Å; V567-L571 WeakPolarHBondContact O-CG 3.47Å; V567-L571 PolarHBondContact O-N 3.08Å; F568-L571 PolarHBondContact O-N 3.48Å |
| 572 | T | 89 | Confident | 88.1 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 22.1 | 177 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | R545 F568 V570 D574 | R545-T572 PolarHBondContact NH1-OG1 2.96Å; R545-T572 VanDerWaalsContact NH1-OG1 3.11Å; R545-T572 PolarHBondContact NH2-OG1 2.8Å; F568-T572 HydrophobicContact CD1-CG2 4.12Å; F568-T572 WeakPolarHBondContact O-CB 3.49Å; F568-T572 PolarHBondContact O-N 3.23Å; F568-T572 PolarHBondContact O-OG1 2.92Å; V570-T572 VanDerWaalsContact C-N 3.3Å; V570-T572 PolarHBondContact O-N 2.53Å; T572-D574 PolarHBondContact O-N 3.23Å; T572-D574 VanDerWaalsContact O-N 3.13Å |
| 573 | F | 87.8 | Confident | 87.7 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 17% | 0.167 | 26% | 0.26 | C | S | . | . | trans | -70.5 | 106.1 | -177.8 | -171.6 | -93.6 | 0 | 0 | 0 | 112.1 | K438 C439 L442 V570 N575 H580 | K438-F573 HydrophobicContact CB-CE1 3.7Å; K438-F573 HydrophobicContact CB-CZ 3.59Å; K438-F573 HydrophobicContact CD-CE1 4.46Å; C439-F573 HydrophobicContact CB-CB 3.97Å; C439-F573 HydrophobicContact CB-CD1 4Å; C439-F573 HydrophobicContact CB-CD2 3.54Å; C439-F573 HydrophobicContact CB-CE1 4.4Å; C439-F573 HydrophobicContact CB-CE2 3.98Å; C439-F573 HydrophobicContact CB-CG 3.55Å; C439-F573 HydrophobicContact CB-CZ 4.38Å; L442-F573 HydrophobicContact CD1-CD2 4.18Å; L442-F573 HydrophobicContact CD1-CE2 4.29Å; V570-F573 WeakPolarHBondContact O-CB 3.37Å; V570-F573 PolarHBondContact O-N 3.26Å; F573-N575 HydrophobicContact CE1-CB 4.45Å; F573-N575 PolarHBondContact O-N 3.15Å; F573-H580 AromaticContact CE1-CE1 3.87Å; F573-H580 HydrophobicContact CE2-CB 4.2Å; F573-H580 AromaticContact CE2-CD2 3.78Å; F573-H580 AromaticContact CE2-CG 3.65Å; F573-H580 AromaticContact CE2-ND1 3.8Å; F573-H580 AromaticContact CZ-CD2 3.57Å; F573-H580 AromaticContact CZ-CE1 3.39Å; F573-H580 WeakPolarHBondContact CZ-CE1 3.24Å; F573-H580 AromaticContact CZ-CG 3.77Å; F573-H580 AromaticContact CZ-ND1 3.65Å; F573-H580 AromaticContact CZ-NE2 3.33Å; F573-H580 VanDerWaalsContact CZ-NE2 3.33Å; F573-H580 WeakPolarHBondContact CZ-NE2 3.47Å | ||
| 574 | D | 84.6 | Confident | 87.6 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -85.1 | 108.4 | 176.3 | -176.7 | -1.4 | 0 | 0 | 0 | 111.4 | T572 S576 Q577 H580 | T572-D574 PolarHBondContact O-N 3.23Å; T572-D574 VanDerWaalsContact O-N 3.13Å; D574-S576 VanDerWaalsContact C-N 3.27Å; D574-S576 VanDerWaalsContact CG-OG 3.25Å; D574-S576 PolarHBondContact O-N 3.45Å; D574-S576 VanDerWaalsContact OD1-CB 3.28Å; D574-S576 WeakPolarHBondContact OD1-CB 3.42Å; D574-S576 PolarHBondContact OD1-N 3.19Å; D574-S576 PolarHBondContact OD1-OG 2.89Å; D574-S576 PolarHBondContact OD2-OG 3.44Å; D574-Q577 HydrophobicContact CB-CG 4.29Å; D574-Q577 WeakPolarHBondContact OD2-CG 3.47Å; D574-Q577 PolarHBondContact OD2-NE2 3.19Å; D574-H580 PolarHBondContact O-CE1 3.01Å; D574-H580 PolarHBondContact O-ND1 3.16Å; D574-H580 VanDerWaalsContact O-ND1 3.11Å | ||
| 575 | N | 81 | Confident | 87.5 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.5 | 177.3 | 176.6 | 57.2 | 0 | 0 | 0 | 114 | N436 K438 F573 | N436-N575 PolarHBondContact ND2-ND2 2.83Å; N436-N575 PolarHBondContact ND2-OD1 3.25Å; K438-N575 WeakPolarHBondContact CD-OD1 3.25Å; K438-N575 WeakPolarHBondContact CE-OD1 3.32Å; K438-N575 PolarHBondContact NZ-OD1 3.24Å; F573-N575 HydrophobicContact CE1-CB 4.45Å; F573-N575 PolarHBondContact O-N 3.15Å |
| 576 | S | 82.9 | Confident | 87.3 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 69% | 0.685 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -22.9 | 175.4 | 75.2 | 0 | 0 | 0 | 0 | 112.9 | D574 | D574-S576 VanDerWaalsContact C-N 3.27Å; D574-S576 VanDerWaalsContact CG-OG 3.25Å; D574-S576 PolarHBondContact O-N 3.45Å; D574-S576 VanDerWaalsContact OD1-CB 3.28Å; D574-S576 WeakPolarHBondContact OD1-CB 3.42Å; D574-S576 PolarHBondContact OD1-N 3.19Å; D574-S576 PolarHBondContact OD1-OG 2.89Å; D574-S576 PolarHBondContact OD2-OG 3.44Å |
| 577 | Q | 81.3 | Confident | 87.4 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | trans | -78 | 128.3 | 179.8 | -69.7 | 174.1 | 37.7 | 0 | 0 | 111.7 | D574 N579 H580 | D574-Q577 HydrophobicContact CB-CG 4.29Å; D574-Q577 WeakPolarHBondContact OD2-CG 3.47Å; D574-Q577 PolarHBondContact OD2-NE2 3.19Å; Q577-N579 VanDerWaalsContact C-N 3.3Å; Q577-N579 PolarHBondContact O-N 3.06Å; Q577-H580 PolarHBondContact O-CE1 3.17Å; Q577-H580 PolarHBondContact O-ND1 3.07Å | ||
| 578 | T | 77.5 | Confident | 87.4 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 93% | 0.926 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.1 | -22.5 | 176.4 | -34 | 0 | 0 | 0 | 0 | 113.1 | ||
| 579 | N | 82.3 | Confident | 87.5 | Confident | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | trans | -136.7 | 91.5 | 179.9 | -178.5 | -0.8 | 0 | 0 | 0 | 110.9 | Q577 L581 A582 | Q577-N579 VanDerWaalsContact C-N 3.3Å; Q577-N579 PolarHBondContact O-N 3.06Å; N579-L581 PolarHBondContact O-N 2.92Å; N579-L581 VanDerWaalsContact O-N 3.12Å; N579-L581 PolarHBondContact OD1-N 3.03Å; N579-L581 VanDerWaalsContact OD1-N 3.12Å; N579-A582 HydrophobicContact CB-CB 4.4Å; N579-A582 VanDerWaalsContact O-CB 3.31Å; N579-A582 WeakPolarHBondContact O-CB 3.37Å; N579-A582 PolarHBondContact O-N 3.28Å; N579-A582 VanDerWaalsContact O-N 3.08Å | ||
| 580 | H | 77.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 60 Ų | 60 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.9 | -179 | -47 | -66.4 | 0 | 0 | 0 | 114.2 | F573 D574 Q577 | F573-H580 AromaticContact CE1-CE1 3.87Å; F573-H580 HydrophobicContact CE2-CB 4.2Å; F573-H580 AromaticContact CE2-CD2 3.78Å; F573-H580 AromaticContact CE2-CG 3.65Å; F573-H580 AromaticContact CE2-ND1 3.8Å; F573-H580 AromaticContact CZ-CD2 3.57Å; F573-H580 AromaticContact CZ-CE1 3.39Å; F573-H580 WeakPolarHBondContact CZ-CE1 3.24Å; F573-H580 AromaticContact CZ-CG 3.77Å; F573-H580 AromaticContact CZ-ND1 3.65Å; F573-H580 AromaticContact CZ-NE2 3.33Å; F573-H580 VanDerWaalsContact CZ-NE2 3.33Å; F573-H580 WeakPolarHBondContact CZ-NE2 3.47Å; D574-H580 PolarHBondContact O-CE1 3.01Å; D574-H580 PolarHBondContact O-ND1 3.16Å; D574-H580 VanDerWaalsContact O-ND1 3.11Å; Q577-H580 PolarHBondContact O-CE1 3.17Å; Q577-H580 PolarHBondContact O-ND1 3.07Å |
| 581 | L | 84.8 | Confident | 87.8 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 41% | 0.408 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.3 | 176.1 | -65.2 | 172.1 | 0 | 0 | 0 | 113.1 | L442 N579 L583 M584 | L442-L581 HydrophobicContact CD2-CD2 4.19Å; N579-L581 PolarHBondContact O-N 2.92Å; N579-L581 VanDerWaalsContact O-N 3.12Å; N579-L581 PolarHBondContact OD1-N 3.03Å; N579-L581 VanDerWaalsContact OD1-N 3.12Å; L581-L583 VanDerWaalsContact C-N 3.29Å; L581-L583 PolarHBondContact O-N 3.35Å; L581-M584 HydrophobicContact CD2-CE 4.02Å; L581-M584 VanDerWaalsContact O-CB 3.22Å; L581-M584 WeakPolarHBondContact O-CB 3.44Å; L581-M584 PolarHBondContact O-N 2.93Å |
| 582 | A | 86.6 | Confident | 88 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N579 | N579-A582 HydrophobicContact CB-CB 4.4Å; N579-A582 VanDerWaalsContact O-CB 3.31Å; N579-A582 WeakPolarHBondContact O-CB 3.37Å; N579-A582 PolarHBondContact O-N 3.28Å; N579-A582 VanDerWaalsContact O-N 3.08Å |
| 583 | L | 88.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.5 | 175.3 | -67.4 | 175.3 | 0 | 0 | 0 | 113.4 | L581 Q586 Y587 | L581-L583 VanDerWaalsContact C-N 3.29Å; L581-L583 PolarHBondContact O-N 3.35Å; L583-Q586 WeakPolarHBondContact O-CB 3.4Å; L583-Q586 PolarHBondContact O-N 2.96Å; L583-Y587 HydrophobicContact CB-CD2 4.43Å; L583-Y587 HydrophobicContact CB-CE2 3.86Å; L583-Y587 PolarHBondContact O-N 3.18Å |
| 584 | M | 91.3 | Very high | 88.6 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | -171.9 | -155.9 | 65.6 | 70.1 | 0 | 0 | 113.8 | L542 A543 L581 Q586 Y587 Q588 | L542-M584 HydrophobicContact CD2-CE 4.02Å; A543-M584 HydrophobicContact CB-CG 4.27Å; A543-M584 HydrophobicContact CB-SD 3.55Å; A543-M584 VanDerWaalsContact CB-SD 3.55Å; A543-M584 PolarHBondContact N-SD 3.09Å; L581-M584 HydrophobicContact CD2-CE 4.02Å; L581-M584 VanDerWaalsContact O-CB 3.22Å; L581-M584 WeakPolarHBondContact O-CB 3.44Å; L581-M584 PolarHBondContact O-N 2.93Å; M584-Q586 PolarHBondContact O-N 2.8Å; M584-Y587 PolarHBondContact O-N 3.37Å; M584-Y587 VanDerWaalsContact O-N 3.13Å; M584-Y587 HydrophobicContact SD-CD2 4.09Å; M584-Q588 WeakPolarHBondContact O-CG 3.19Å; M584-Q588 PolarHBondContact O-N 2.82Å |
| 585 | P | 92.1 | Very high | 89.2 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -29.6 | 174.9 | -25.2 | 36 | 0 | 0 | 0 | 113.9 | Q588 Q589 | P585-Q588 PolarHBondContact O-N 3.43Å; P585-Q589 WeakPolarHBondContact O-CG 3.28Å; P585-Q589 PolarHBondContact O-N 2.59Å; P585-Q589 VanDerWaalsContact O-N 3.13Å |
| 586 | Q | 91.9 | Very high | 89.8 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73 | -42.5 | 175.8 | -57 | -178.2 | -0.2 | 0 | 0 | 110.9 | L583 M584 Q588 Q589 A590 | L583-Q586 WeakPolarHBondContact O-CB 3.4Å; L583-Q586 PolarHBondContact O-N 2.96Å; M584-Q586 PolarHBondContact O-N 2.8Å; Q586-Q588 VanDerWaalsContact C-N 3.28Å; Q586-Q588 PolarHBondContact O-N 3.21Å; Q586-Q589 PolarHBondContact O-N 3.31Å; Q586-Q589 VanDerWaalsContact O-N 3.17Å; Q586-A590 PolarHBondContact O-N 3.08Å |
| 587 | Y | 94 | Very high | 90.4 | Very high | 64 Ų | 64 | 50 Ų | 50 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 172.5 | -60.4 | -37 | 0 | 0 | 0 | 112 | A543 R545 L583 M584 A590 D591 | A543-Y587 VanDerWaalsContact CB-CB 3.42Å; R545-Y587 HydrophobicContact CG-CG 4.34Å; L583-Y587 HydrophobicContact CB-CD2 4.43Å; L583-Y587 HydrophobicContact CB-CE2 3.86Å; L583-Y587 PolarHBondContact O-N 3.18Å; M584-Y587 PolarHBondContact O-N 3.37Å; M584-Y587 VanDerWaalsContact O-N 3.13Å; M584-Y587 HydrophobicContact SD-CD2 4.09Å; Y587-A590 WeakPolarHBondContact O-CB 3.46Å; Y587-A590 PolarHBondContact O-N 3.17Å; Y587-D591 PolarHBondContact O-N 2.83Å |
| 588 | Q | 95.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 172.7 | -68.2 | 178.9 | -13.8 | 0 | 0 | 112.7 | H538 L542 A543 M584 P585 Q586 L592 | H538-Q588 PolarHBondContact CE1-O 3.23Å; H538-Q588 PolarHBondContact O-NE2 3.21Å; L542-Q588 PolarHBondContact O-NE2 3.18Å; A543-Q588 HydrophobicContact CB-CG 3.97Å; M584-Q588 WeakPolarHBondContact O-CG 3.19Å; M584-Q588 PolarHBondContact O-N 2.82Å; P585-Q588 PolarHBondContact O-N 3.43Å; Q586-Q588 VanDerWaalsContact C-N 3.28Å; Q586-Q588 PolarHBondContact O-N 3.21Å; Q588-L592 PolarHBondContact O-N 3.32Å |
| 589 | Q | 94.4 | Very high | 92 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 169 | -62.7 | -45.6 | -70.6 | 0 | 0 | 111.8 | P585 Q586 D591 L592 V593 L644 R645 | P585-Q589 WeakPolarHBondContact O-CG 3.28Å; P585-Q589 PolarHBondContact O-N 2.59Å; P585-Q589 VanDerWaalsContact O-N 3.13Å; Q586-Q589 PolarHBondContact O-N 3.31Å; Q586-Q589 VanDerWaalsContact O-N 3.17Å; Q589-D591 VanDerWaalsContact C-N 3.3Å; Q589-D591 PolarHBondContact O-N 3.43Å; Q589-L592 PolarHBondContact O-N 3.3Å; Q589-V593 PolarHBondContact O-N 3.2Å; Q589-V593 VanDerWaalsContact O-N 3.12Å; Q589-L644 HydrophobicContact CG-CD2 3.68Å; Q589-R645 PolarHBondContact NE2-O 2.87Å |
| 590 | A | 94.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 35.7 Ų | 35.7 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -34 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q586 Y587 V593 S594 | Q586-A590 PolarHBondContact O-N 3.08Å; Y587-A590 WeakPolarHBondContact O-CB 3.46Å; Y587-A590 PolarHBondContact O-N 3.17Å; A590-V593 PolarHBondContact O-N 3.32Å; A590-S594 VanDerWaalsContact O-CB 3.28Å; A590-S594 WeakPolarHBondContact O-CB 3.42Å; A590-S594 PolarHBondContact O-N 3.32Å; A590-S594 PolarHBondContact O-OG 3.2Å |
| 591 | D | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 172.5 | -73.2 | -24.6 | 0 | 0 | 0 | 112.1 | L534 H538 A543 C544 R545 Y587 Q589 S594 L595 | L534-D591 HydrophobicContact CD1-CB 4.35Å; L534-D591 HydrophobicContact CD2-CB 3.97Å; H538-D591 IonicContact CD2-OD2 3.53Å; H538-D591 IonicContact CE1-OD2 2.7Å; H538-D591 IonicContact NE2-OD2 2.69Å; H538-D591 PolarHBondContact NE2-OD2 3.26Å; A543-D591 WeakPolarHBondContact CA-OD2 3.39Å; C544-D591 WeakPolarHBondContact CB-OD1 3.33Å; C544-D591 PolarHBondContact N-OD1 3.36Å; C544-D591 PolarHBondContact N-OD2 3.24Å; R545-D591 PolarHBondContact N-OD1 3.42Å; Y587-D591 PolarHBondContact O-N 2.83Å; Q589-D591 VanDerWaalsContact C-N 3.3Å; Q589-D591 PolarHBondContact O-N 3.43Å; D591-S594 PolarHBondContact O-N 3.02Å; D591-L595 PolarHBondContact O-N 3.39Å |
| 592 | L | 95.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 179.3 | -67.7 | 174.2 | 0 | 0 | 0 | 111.5 | Q588 Q589 S594 L595 G596 L637 R645 V647 | Q588-L592 PolarHBondContact O-N 3.32Å; Q589-L592 PolarHBondContact O-N 3.3Å; L592-S594 VanDerWaalsContact C-N 3.31Å; L592-S594 PolarHBondContact O-N 2.9Å; L592-L595 PolarHBondContact O-N 3.03Å; L592-G596 PolarHBondContact O-N 3.46Å; L592-L637 HydrophobicContact CB-CD2 4.09Å; L592-L637 HydrophobicContact CD2-CD2 4.15Å; L592-R645 HydrophobicContact CD1-CB 3.68Å; L592-V647 HydrophobicContact CD2-CG2 3.83Å |
| 593 | V | 94.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 173.8 | 175.9 | 0 | 0 | 0 | 0 | 111 | Q589 A590 G596 K597 L638 | Q589-V593 PolarHBondContact O-N 3.2Å; Q589-V593 VanDerWaalsContact O-N 3.12Å; A590-V593 PolarHBondContact O-N 3.32Å; V593-G596 PolarHBondContact O-N 3Å; V593-K597 WeakPolarHBondContact O-CG 3.21Å; V593-K597 PolarHBondContact O-N 3.5Å; V593-L638 HydrophobicContact CG1-CD2 4.35Å |
| 594 | S | 95.1 | Very high | 94 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 26% | 0.259 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | A590 D591 L592 G596 K597 V598 | A590-S594 VanDerWaalsContact O-CB 3.28Å; A590-S594 WeakPolarHBondContact O-CB 3.42Å; A590-S594 PolarHBondContact O-N 3.32Å; A590-S594 PolarHBondContact O-OG 3.2Å; D591-S594 PolarHBondContact O-N 3.02Å; L592-S594 VanDerWaalsContact C-N 3.31Å; L592-S594 PolarHBondContact O-N 2.9Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.16Å; S594-K597 WeakPolarHBondContact O-CB 3.36Å; S594-K597 PolarHBondContact O-N 3.06Å; S594-V598 WeakPolarHBondContact O-CG2 3.28Å; S594-V598 PolarHBondContact O-N 3.09Å |
| 595 | L | 96.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 169 | 178.7 | 64.6 | 0 | 0 | 0 | 110.8 | L530 L534 M547 D591 L592 K597 V598 V599 L637 | L530-L595 HydrophobicContact CB-CD1 3.81Å; L530-L595 HydrophobicContact CD1-CD1 3.83Å; L530-L595 HydrophobicContact CG-CD1 4.48Å; L534-L595 HydrophobicContact CD1-CB 4.33Å; L534-L595 HydrophobicContact CD1-CD2 4.06Å; M547-L595 HydrophobicContact CG-CB 4.33Å; M547-L595 HydrophobicContact SD-CD1 4.41Å; D591-L595 PolarHBondContact O-N 3.39Å; L592-L595 PolarHBondContact O-N 3.03Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.2Å; L595-V598 PolarHBondContact O-N 2.95Å; L595-V599 HydrophobicContact CD1-CG2 4.17Å; L595-V599 HydrophobicContact CG-CG2 4.41Å; L595-V599 VanDerWaalsContact O-CG2 3.29Å; L595-V599 WeakPolarHBondContact O-CG2 3.19Å; L595-V599 PolarHBondContact O-N 3.33Å; L595-L637 HydrophobicContact CD2-CD1 4.17Å; L595-L637 HydrophobicContact CG-CD1 4.12Å |
| 596 | G | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L592 V593 S594 L600 | L592-G596 PolarHBondContact O-N 3.46Å; V593-G596 PolarHBondContact O-N 3Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.16Å; G596-L600 WeakPolarHBondContact O-CB 3.44Å; G596-L600 PolarHBondContact O-N 3.4Å |
| 597 | K | 94.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 20.2 Ų | 20.2 | 38% | 0.378 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -67 | -43.2 | 175.8 | -69.6 | 173.5 | 178.3 | 174.5 | 0 | 112.6 | V593 S594 L595 L600 A601 I610 L638 | V593-K597 WeakPolarHBondContact O-CG 3.21Å; V593-K597 PolarHBondContact O-N 3.5Å; S594-K597 WeakPolarHBondContact O-CB 3.36Å; S594-K597 PolarHBondContact O-N 3.06Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.2Å; K597-L600 PolarHBondContact O-N 3.43Å; K597-A601 WeakPolarHBondContact O-CB 3.33Å; K597-A601 PolarHBondContact O-N 2.92Å; K597-I610 HydrophobicContact CB-CG2 3.96Å; K597-I610 HydrophobicContact CD-CG2 3.83Å; K597-I610 HydrophobicContact CG-CG2 3.87Å; K597-L638 HydrophobicContact CG-CD2 3.79Å |
| 598 | V | 95.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | M484 L530 M547 P549 I552 S594 L595 A601 L602 | M484-V598 HydrophobicContact SD-CG1 3.84Å; L530-V598 HydrophobicContact CD1-CG1 4.41Å; M547-V598 HydrophobicContact CG-CG2 4.35Å; P549-V598 HydrophobicContact CG-CG2 4.26Å; I552-V598 HydrophobicContact CD1-CG1 3.86Å; I552-V598 HydrophobicContact CD1-CG2 4.16Å; S594-V598 WeakPolarHBondContact O-CG2 3.28Å; S594-V598 PolarHBondContact O-N 3.09Å; L595-V598 PolarHBondContact O-N 2.95Å; V598-A601 PolarHBondContact O-N 2.84Å; V598-L602 HydrophobicContact CG1-CD1 3.99Å; V598-L602 VanDerWaalsContact O-CG 3.32Å; V598-L602 WeakPolarHBondContact O-CG 3.42Å; V598-L602 PolarHBondContact O-N 3.25Å |
| 599 | V | 96.1 | Very high | 92 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 179.6 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | I523 I527 L595 L602 A603 L630 I634 | I523-V599 HydrophobicContact CG2-CG1 4.06Å; I527-V599 HydrophobicContact CD1-CG1 3.88Å; I527-V599 HydrophobicContact CD1-CG2 4.13Å; I527-V599 HydrophobicContact CG1-CG1 4.3Å; I527-V599 HydrophobicContact CG1-CG2 3.62Å; L595-V599 HydrophobicContact CD1-CG2 4.17Å; L595-V599 HydrophobicContact CG-CG2 4.41Å; L595-V599 VanDerWaalsContact O-CG2 3.29Å; L595-V599 WeakPolarHBondContact O-CG2 3.19Å; L595-V599 PolarHBondContact O-N 3.33Å; V599-L602 PolarHBondContact O-N 2.82Å; V599-A603 WeakPolarHBondContact O-CB 3.41Å; V599-A603 PolarHBondContact O-N 2.88Å; V599-L630 HydrophobicContact CG1-CD1 3.71Å; V599-I634 HydrophobicContact CB-CG1 4.31Å; V599-I634 HydrophobicContact CG1-CD1 3.91Å; V599-I634 HydrophobicContact CG1-CG1 3.63Å |
| 600 | L | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 174.6 | -179 | 60.5 | 0 | 0 | 0 | 111.9 | G596 K597 L602 A603 C604 G609 L615 A618 M619 V622 I634 L638 | G596-L600 WeakPolarHBondContact O-CB 3.44Å; G596-L600 PolarHBondContact O-N 3.4Å; K597-L600 PolarHBondContact O-N 3.43Å; L600-L602 PolarHBondContact O-N 3.19Å; L600-A603 PolarHBondContact O-N 3.34Å; L600-C604 PolarHBondContact O-N 2.99Å; L600-G609 WeakPolarHBondContact CD2-O 3.33Å; L600-L615 HydrophobicContact CD2-CD1 3.47Å; L600-L615 VanDerWaalsContact CD2-CD1 3.47Å; L600-A618 HydrophobicContact CD1-CB 3.82Å; L600-A618 HydrophobicContact CD2-CB 4.03Å; L600-A618 HydrophobicContact CG-CB 4.14Å; L600-M619 HydrophobicContact CD1-SD 4.08Å; L600-V622 HydrophobicContact CD1-CG2 3.73Å; L600-I634 HydrophobicContact CB-CG2 4.13Å; L600-I634 HydrophobicContact CD1-CG2 4.27Å; L600-L638 HydrophobicContact CD2-CD1 3.81Å |
| 601 | A | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F489 K597 V598 C604 N605 S606 L607 I610 | F489-A601 HydrophobicContact CE1-CB 3.86Å; F489-A601 WeakPolarHBondContact CE1-O 3.49Å; F489-A601 HydrophobicContact CZ-CB 3.82Å; K597-A601 WeakPolarHBondContact O-CB 3.33Å; K597-A601 PolarHBondContact O-N 2.92Å; V598-A601 PolarHBondContact O-N 2.84Å; A601-C604 PolarHBondContact O-N 2.67Å; A601-N605 VanDerWaalsContact O-CA 3.28Å; A601-N605 WeakPolarHBondContact O-CA 3.37Å; A601-N605 PolarHBondContact O-N 3.45Å; A601-S606 WeakPolarHBondContact CA-O 3.47Å; A601-S606 PolarHBondContact O-N 2.66Å; A601-S606 VanDerWaalsContact O-N 3.07Å; A601-L607 HydrophobicContact CB-CD2 4.19Å; A601-I610 HydrophobicContact CB-CD1 3.81Å; A601-I610 HydrophobicContact CB-CG1 3.85Å |
| 602 | L | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.2 | -71.8 | 164 | 0 | 0 | 0 | 111.7 | M484 F489 L518 Y526 V598 V599 L600 N605 | M484-L602 HydrophobicContact CE-CD1 4.12Å; M484-L602 HydrophobicContact CE-CD2 4.46Å; M484-L602 HydrophobicContact CG-CD2 4.24Å; M484-L602 HydrophobicContact SD-CD1 4.03Å; M484-L602 HydrophobicContact SD-CD2 4.07Å; M484-L602 HydrophobicContact SD-CG 4.34Å; F489-L602 HydrophobicContact CE2-CD2 4.06Å; F489-L602 HydrophobicContact CZ-CD2 4.12Å; F489-L602 HydrophobicContact CZ-CG 4.32Å; L518-L602 HydrophobicContact CD1-CB 4.15Å; L518-L602 HydrophobicContact CD1-CD2 3.59Å; Y526-L602 HydrophobicContact CD2-CD1 3.96Å; Y526-L602 HydrophobicContact CD2-CD2 4.35Å; Y526-L602 HydrophobicContact CE2-CD2 4.35Å; V598-L602 HydrophobicContact CG1-CD1 3.99Å; V598-L602 VanDerWaalsContact O-CG 3.32Å; V598-L602 WeakPolarHBondContact O-CG 3.42Å; V598-L602 PolarHBondContact O-N 3.25Å; V599-L602 PolarHBondContact O-N 2.82Å; L600-L602 PolarHBondContact O-N 3.19Å; L602-N605 PolarHBondContact O-N 3.49Å |
| 603 | A | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -33.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I523 V599 L600 V622 Y626 L630 | I523-A603 HydrophobicContact CD1-CB 4.2Å; V599-A603 WeakPolarHBondContact O-CB 3.41Å; V599-A603 PolarHBondContact O-N 2.88Å; L600-A603 PolarHBondContact O-N 3.34Å; A603-V622 HydrophobicContact CB-CG2 3.83Å; A603-Y626 HydrophobicContact CB-CD2 4.39Å; A603-Y626 HydrophobicContact CB-CE2 3.92Å; A603-Y626 WeakPolarHBondContact O-CE2 3.5Å; A603-Y626 PolarHBondContact O-OH 3.04Å; A603-L630 HydrophobicContact CB-CD2 4.37Å |
| 604 | C | 89 | Confident | 89.6 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -84.6 | -8.3 | 172.2 | -64.4 | 0 | 0 | 0 | 0 | 114.3 | F498 L600 A601 S606 | F498-C604 HydrophobicContact CD2-CB 4.21Å; F498-C604 HydrophobicContact CG-CB 4.44Å; L600-C604 PolarHBondContact O-N 2.99Å; A601-C604 PolarHBondContact O-N 2.67Å; C604-S606 PolarHBondContact O-N 2.89Å |
| 605 | N | 89 | Confident | 89.3 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.1 | 39.6 | -165.4 | -151.9 | 18.7 | 0 | 0 | 0 | 114.2 | H488 G516 A601 L602 | H488-N605 PolarHBondContact O-OD1 3.33Å; G516-N605 PolarHBondContact O-ND2 3.42Å; A601-N605 VanDerWaalsContact O-CA 3.28Å; A601-N605 WeakPolarHBondContact O-CA 3.37Å; A601-N605 PolarHBondContact O-N 3.45Å; L602-N605 PolarHBondContact O-N 3.49Å |
| 606 | S | 87.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -156.3 | 137.3 | -175 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | D495 A601 C604 A608 | D495-S606 VanDerWaalsContact OD1-CB 3.24Å; D495-S606 WeakPolarHBondContact OD1-CB 3.32Å; D495-S606 PolarHBondContact OD1-OG 2.93Å; A601-S606 WeakPolarHBondContact CA-O 3.47Å; A601-S606 PolarHBondContact O-N 2.66Å; A601-S606 VanDerWaalsContact O-N 3.07Å; C604-S606 PolarHBondContact O-N 2.89Å; S606-A608 VanDerWaalsContact C-N 3.3Å; S606-A608 WeakPolarHBondContact OG-CB 3.16Å; S606-A608 PolarHBondContact OG-N 3.15Å; S606-A608 VanDerWaalsContact OG-N 3.1Å |
| 607 | L | 85.1 | Confident | 88.5 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -73.3 | -21.6 | 171.9 | -63.8 | -171.2 | 0 | 0 | 0 | 112.7 | F485 F489 P549 A601 G609 I610 | F485-L607 HydrophobicContact CD2-CD1 3.82Å; F485-L607 HydrophobicContact CE2-CD1 3.6Å; F485-L607 HydrophobicContact CE2-CG 4.41Å; F489-L607 HydrophobicContact CD1-CD2 3.8Å; F489-L607 HydrophobicContact CD1-CG 3.92Å; F489-L607 HydrophobicContact CE1-CD2 3.8Å; F489-L607 HydrophobicContact CE1-CG 4.35Å; F489-L607 HydrophobicContact CG-CD2 4.19Å; F489-L607 HydrophobicContact CG-CG 4.32Å; F489-L607 HydrophobicContact CZ-CD2 4.2Å; P549-L607 HydrophobicContact CG-CD2 4.12Å; A601-L607 HydrophobicContact CB-CD2 4.19Å; L607-G609 PolarHBondContact O-N 3.27Å; L607-I610 HydrophobicContact CD2-CD1 3.97Å; L607-I610 WeakPolarHBondContact O-CB 3.23Å; L607-I610 WeakPolarHBondContact O-CG1 3.49Å; L607-I610 PolarHBondContact O-N 3.04Å; L607-I610 VanDerWaalsContact O-N 3.08Å |
| 608 | A | 83.3 | Confident | 88.3 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -64.7 | -23.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F498 T499 S606 I610 Q611 N614 | F498-A608 HydrophobicContact CD1-CB 4.1Å; F498-A608 HydrophobicContact CE1-CB 4.11Å; T499-A608 HydrophobicContact CG2-CB 4.43Å; S606-A608 VanDerWaalsContact C-N 3.3Å; S606-A608 WeakPolarHBondContact OG-CB 3.16Å; S606-A608 PolarHBondContact OG-N 3.15Å; S606-A608 VanDerWaalsContact OG-N 3.1Å; A608-I610 PolarHBondContact O-N 2.97Å; A608-Q611 WeakPolarHBondContact O-CB 3.47Å; A608-Q611 PolarHBondContact O-N 3.38Å; A608-Q611 VanDerWaalsContact O-N 3.15Å; A608-Q611 PolarHBondContact O-OE1 3.05Å; A608-N614 WeakPolarHBondContact O-CB 3.36Å |
| 609 | G | 78.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -64 | -17.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L600 L607 Q611 | L600-G609 WeakPolarHBondContact CD2-O 3.33Å; L607-G609 PolarHBondContact O-N 3.27Å; G609-Q611 VanDerWaalsContact C-N 3.34Å |
| 610 | I | 84.5 | Confident | 87.7 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 28% | 0.277 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -77 | -21.7 | 175.8 | -52.8 | 174.4 | 0 | 0 | 0 | 111.6 | K597 A601 L607 A608 | K597-I610 HydrophobicContact CB-CG2 3.96Å; K597-I610 HydrophobicContact CD-CG2 3.83Å; K597-I610 HydrophobicContact CG-CG2 3.87Å; A601-I610 HydrophobicContact CB-CD1 3.81Å; A601-I610 HydrophobicContact CB-CG1 3.85Å; L607-I610 HydrophobicContact CD2-CD1 3.97Å; L607-I610 WeakPolarHBondContact O-CB 3.23Å; L607-I610 WeakPolarHBondContact O-CG1 3.49Å; L607-I610 PolarHBondContact O-N 3.04Å; L607-I610 VanDerWaalsContact O-N 3.08Å; A608-I610 PolarHBondContact O-N 2.97Å |
| 611 | Q | 84.8 | Confident | 87.5 | Confident | 88 Ų | 88 | 49.5 Ų | 49.5 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -70.2 | 144.7 | -173.7 | -63.2 | 170.4 | -27.1 | 0 | 0 | 112.1 | A608 G609 E613 N614 L615 | A608-Q611 WeakPolarHBondContact O-CB 3.47Å; A608-Q611 PolarHBondContact O-N 3.38Å; A608-Q611 VanDerWaalsContact O-N 3.15Å; A608-Q611 PolarHBondContact O-OE1 3.05Å; G609-Q611 VanDerWaalsContact C-N 3.34Å; Q611-E613 VanDerWaalsContact C-N 3.31Å; Q611-E613 HydrophobicContact CB-CG 4.45Å; Q611-E613 PolarHBondContact O-N 3.48Å; Q611-N614 HydrophobicContact CB-CB 4.4Å; Q611-N614 CarbonylContact O-C 3.51Å; Q611-N614 PolarHBondContact O-N 3.33Å; Q611-N614 PolarHBondContact OE1-ND2 3.21Å; Q611-L615 PolarHBondContact O-N 2.86Å |
| 612 | R | 82.8 | Confident | 87.4 | Confident | 230 Ų | 230 | 49.5 Ų | 49.5 | 87% | 0.868 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.5 | -170.4 | -168.9 | 175.3 | 180 | 122.8 | 1.9 | 112.5 | N614 | R612-N614 VanDerWaalsContact C-N 3.3Š|
| 613 | E | 85.8 | Confident | 87.3 | Confident | 137 Ų | 137 | 52 Ų | 52 | 64% | 0.64 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.4 | 174.2 | 61.8 | -93.8 | -133.3 | 0 | 0 | 114 | Q611 | Q611-E613 VanDerWaalsContact C-N 3.31Å; Q611-E613 HydrophobicContact CB-CG 4.45Å; Q611-E613 PolarHBondContact O-N 3.48Å |
| 614 | N | 86.1 | Confident | 87.2 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -13.6 | -175.2 | -73 | -41.4 | 0 | 0 | 0 | 113.3 | F498 A608 Q611 R612 Q616 K617 A618 | F498-N614 HydrophobicContact CE1-CB 4.12Å; F498-N614 HydrophobicContact CZ-CB 4.08Å; A608-N614 WeakPolarHBondContact O-CB 3.36Å; Q611-N614 HydrophobicContact CB-CB 4.4Å; Q611-N614 CarbonylContact O-C 3.51Å; Q611-N614 PolarHBondContact O-N 3.33Å; Q611-N614 PolarHBondContact OE1-ND2 3.21Å; R612-N614 VanDerWaalsContact C-N 3.3Å; N614-Q616 VanDerWaalsContact C-N 3.27Å; N614-Q616 PolarHBondContact O-N 3.15Å; N614-Q616 VanDerWaalsContact O-N 3.16Å; N614-K617 WeakPolarHBondContact O-CB 3.23Å; N614-K617 PolarHBondContact O-N 3.39Å; N614-K617 PolarHBondContact OD1-NZ 3.08Å; N614-A618 PolarHBondContact O-N 3.05Å |
| 615 | L | 87.7 | Confident | 87.3 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -50 | -40.8 | -179.7 | 178.5 | 58.9 | 0 | 0 | 0 | 113.7 | L600 Q611 A618 M619 L638 | L600-L615 HydrophobicContact CD2-CD1 3.47Å; L600-L615 VanDerWaalsContact CD2-CD1 3.47Å; Q611-L615 PolarHBondContact O-N 2.86Å; L615-A618 WeakPolarHBondContact O-CB 3.38Å; L615-A618 PolarHBondContact O-N 3.11Å; L615-M619 HydrophobicContact CD1-CG 4.21Å; L615-M619 WeakPolarHBondContact O-CG 3.33Å; L615-M619 PolarHBondContact O-N 2.77Å; L615-L638 HydrophobicContact CD1-CD1 3.9Å |
| 616 | Q | 87.8 | Confident | 87.5 | Confident | 149 Ų | 149 | 60.3 Ų | 60.3 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 178.4 | -173.3 | 63.1 | 23.6 | 0 | 0 | 112 | N614 A618 M619 E620 | N614-Q616 VanDerWaalsContact C-N 3.27Å; N614-Q616 PolarHBondContact O-N 3.15Å; N614-Q616 VanDerWaalsContact O-N 3.16Å; Q616-A618 VanDerWaalsContact C-N 3.32Å; Q616-A618 PolarHBondContact O-N 3.21Å; Q616-M619 PolarHBondContact O-N 3.3Å; Q616-E620 PolarHBondContact O-N 3.4Å |
| 617 | K | 88.2 | Confident | 87.8 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 176 | -53.2 | 170 | -166.1 | 158.7 | 0 | 111.1 | F498 W503 N614 E620 L621 | F498-K617 HydrophobicContact CE2-CB 4.32Å; F498-K617 HydrophobicContact CZ-CB 4.35Å; W503-K617 HydrophobicContact CD2-CB 4.33Å; W503-K617 VanDerWaalsContact CH2-O 3.27Å; W503-K617 WeakPolarHBondContact CH2-O 2.98Å; W503-K617 HydrophobicContact CZ2-CB 4.04Å; N614-K617 WeakPolarHBondContact O-CB 3.23Å; N614-K617 PolarHBondContact O-N 3.39Å; N614-K617 PolarHBondContact OD1-NZ 3.08Å; K617-E620 PolarHBondContact O-N 3.46Å; K617-L621 PolarHBondContact O-N 2.84Å |
| 618 | A | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | F498 L600 N614 L615 Q616 E620 L621 V622 | F498-A618 HydrophobicContact CE2-CB 4.11Å; F498-A618 HydrophobicContact CZ-CB 4.03Å; L600-A618 HydrophobicContact CD1-CB 3.82Å; L600-A618 HydrophobicContact CD2-CB 4.03Å; L600-A618 HydrophobicContact CG-CB 4.14Å; N614-A618 PolarHBondContact O-N 3.05Å; L615-A618 WeakPolarHBondContact O-CB 3.38Å; L615-A618 PolarHBondContact O-N 3.11Å; Q616-A618 VanDerWaalsContact C-N 3.32Å; Q616-A618 PolarHBondContact O-N 3.21Å; A618-E620 VanDerWaalsContact C-N 3.33Å; A618-E620 PolarHBondContact O-N 2.87Å; A618-L621 WeakPolarHBondContact O-CB 3.37Å; A618-L621 PolarHBondContact O-N 3.29Å; A618-V622 WeakPolarHBondContact O-CG2 3.48Å; A618-V622 PolarHBondContact O-N 3.01Å |
| 619 | M | 91 | Very high | 88.8 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -31.4 | 174.7 | -69 | -56.6 | -62.6 | 0 | 0 | 113.3 | L600 L615 Q616 S623 K631 I634 L635 | L600-M619 HydrophobicContact CD1-SD 4.08Å; L615-M619 HydrophobicContact CD1-CG 4.21Å; L615-M619 WeakPolarHBondContact O-CG 3.33Å; L615-M619 PolarHBondContact O-N 2.77Å; Q616-M619 PolarHBondContact O-N 3.3Å; M619-S623 WeakPolarHBondContact O-CB 3.22Å; M619-S623 PolarHBondContact O-N 3.06Å; M619-K631 HydrophobicContact CE-CG 4.06Å; M619-I634 HydrophobicContact CE-CB 4.44Å; M619-I634 HydrophobicContact CE-CG2 4.15Å; M619-I634 HydrophobicContact SD-CB 4.4Å; M619-I634 HydrophobicContact SD-CG2 3.54Å; M619-I634 VanDerWaalsContact SD-CG2 3.54Å; M619-L635 HydrophobicContact CE-CB 4.24Å |
| 620 | E | 89.5 | Confident | 89.6 | Confident | 90 Ų | 90 | 64.7 Ų | 64.7 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 170.6 | -164.4 | -173.4 | 142.6 | 0 | 0 | 111.3 | W503 Q616 K617 A618 V622 S623 I624 | W503-E620 HydrophobicContact CE3-CG 4.45Å; W503-E620 HydrophobicContact CH2-CB 4.33Å; W503-E620 HydrophobicContact CZ3-CB 3.9Å; W503-E620 VanDerWaalsContact CZ3-CD 3.44Å; W503-E620 HydrophobicContact CZ3-CG 3.8Å; W503-E620 WeakPolarHBondContact CZ3-OE1 3.19Å; Q616-E620 PolarHBondContact O-N 3.4Å; K617-E620 PolarHBondContact O-N 3.46Å; A618-E620 VanDerWaalsContact C-N 3.33Å; A618-E620 PolarHBondContact O-N 2.87Å; E620-V622 VanDerWaalsContact C-N 3.34Å; E620-V622 PolarHBondContact O-N 3.4Å; E620-S623 PolarHBondContact O-N 3.24Å; E620-S623 VanDerWaalsContact O-N 3.17Å; E620-I624 HydrophobicContact CG-CD1 4.08Å; E620-I624 WeakPolarHBondContact O-CG1 3.26Å; E620-I624 PolarHBondContact O-N 2.69Å |
| 621 | L | 88.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57 | -48.2 | 174 | -166.4 | 150.8 | 0 | 0 | 0 | 111.1 | Y497 F498 W503 L517 K617 A618 S623 I624 N625 Y626 | Y497-L621 HydrophobicContact CD1-CD1 4.27Å; Y497-L621 HydrophobicContact CE1-CD1 4.16Å; F498-L621 HydrophobicContact CD2-CD1 3.85Å; W503-L621 HydrophobicContact CH2-CB 3.81Å; W503-L621 HydrophobicContact CZ2-CB 4.29Å; W503-L621 HydrophobicContact CZ2-CD1 4.45Å; L517-L621 HydrophobicContact CD1-CD2 3.97Å; L517-L621 HydrophobicContact CD2-CD2 4.06Å; K617-L621 PolarHBondContact O-N 2.84Å; A618-L621 WeakPolarHBondContact O-CB 3.37Å; A618-L621 PolarHBondContact O-N 3.29Å; L621-S623 VanDerWaalsContact C-N 3.29Å; L621-S623 PolarHBondContact O-N 2.89Å; L621-I624 PolarHBondContact O-N 3.07Å; L621-N625 PolarHBondContact O-N 3.23Å; L621-N625 PolarHBondContact O-ND2 3.39Å; L621-Y626 HydrophobicContact CD2-CE2 4.33Å |
| 622 | V | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | L600 A603 A618 E620 I624 N625 Y626 K631 I634 | L600-V622 HydrophobicContact CD1-CG2 3.73Å; A603-V622 HydrophobicContact CB-CG2 3.83Å; A618-V622 WeakPolarHBondContact O-CG2 3.48Å; A618-V622 PolarHBondContact O-N 3.01Å; E620-V622 VanDerWaalsContact C-N 3.34Å; E620-V622 PolarHBondContact O-N 3.4Å; V622-I624 PolarHBondContact O-N 3.5Å; V622-N625 PolarHBondContact O-N 3.15Å; V622-Y626 PolarHBondContact O-N 3.28Å; V622-Y626 VanDerWaalsContact O-N 3.08Å; V622-K631 HydrophobicContact CG1-CB 3.94Å; V622-K631 HydrophobicContact CG1-CG 4.36Å; V622-I634 HydrophobicContact CG1-CD1 4.04Å; V622-I634 HydrophobicContact CG2-CD1 4.06Å |
| 623 | S | 92.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 54.3 Ų | 54.3 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68 | -11.4 | -178 | -165.8 | 0 | 0 | 0 | 0 | 115.5 | M619 E620 L621 K631 | M619-S623 WeakPolarHBondContact O-CB 3.22Å; M619-S623 PolarHBondContact O-N 3.06Å; E620-S623 PolarHBondContact O-N 3.24Å; E620-S623 VanDerWaalsContact O-N 3.17Å; L621-S623 VanDerWaalsContact C-N 3.29Å; L621-S623 PolarHBondContact O-N 2.89Å; S623-K631 WeakPolarHBondContact OG-CE 3.49Å; S623-K631 PolarHBondContact OG-NZ 3.23Å |
| 624 | I | 90.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 51% | 0.508 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -100.6 | -31.2 | 178.7 | -68.4 | 165.6 | 0 | 0 | 0 | 111.5 | E620 L621 V622 | E620-I624 HydrophobicContact CG-CD1 4.08Å; E620-I624 WeakPolarHBondContact O-CG1 3.26Å; E620-I624 PolarHBondContact O-N 2.69Å; L621-I624 PolarHBondContact O-N 3.07Å; V622-I624 PolarHBondContact O-N 3.5Å |
| 625 | N | 89.5 | Confident | 92 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -112.7 | -11.7 | -168 | -59.6 | -87.5 | 0 | 0 | 0 | 114.6 | L517 L621 V622 | L517-N625 HydrophobicContact CD1-CB 3.77Å; L621-N625 PolarHBondContact O-N 3.23Å; L621-N625 PolarHBondContact O-ND2 3.39Å; V622-N625 PolarHBondContact O-N 3.15Å |
| 626 | Y | 93.7 | Very high | 92.3 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -135.1 | 166.9 | -173.4 | -61.1 | -86.4 | 0 | 0 | 0 | 112.6 | L517 L518 E520 I523 A603 L621 V622 L630 | L517-Y626 HydrophobicContact CD1-CE2 4.44Å; L518-Y626 WeakPolarHBondContact O-CE1 3.24Å; L518-Y626 PolarHBondContact O-OH 3.21Å; L518-Y626 VanDerWaalsContact O-OH 3.09Å; E520-Y626 HydrophobicContact CB-CD1 3.86Å; E520-Y626 HydrophobicContact CB-CE1 4.27Å; E520-Y626 HydrophobicContact CG-CD1 3.84Å; I523-Y626 HydrophobicContact CD1-CD1 4.41Å; I523-Y626 HydrophobicContact CD1-CE1 3.6Å; A603-Y626 HydrophobicContact CB-CD2 4.39Å; A603-Y626 HydrophobicContact CB-CE2 3.92Å; A603-Y626 WeakPolarHBondContact O-CE2 3.5Å; A603-Y626 PolarHBondContact O-OH 3.04Å; L621-Y626 HydrophobicContact CD2-CE2 4.33Å; V622-Y626 PolarHBondContact O-N 3.28Å; V622-Y626 VanDerWaalsContact O-N 3.08Å; Y626-L630 HydrophobicContact CD1-CD2 3.77Å; Y626-L630 HydrophobicContact CE1-CD2 4.39Å; Y626-L630 HydrophobicContact CG-CD2 3.83Å |
| 627 | S | 94.7 | Very high | 92.5 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | trans | -60.1 | 155.1 | 178.9 | 68.1 | 0 | 0 | 0 | 0 | 114 | E520 D629 L630 K631 | E520-S627 VanDerWaalsContact CD-OG 3.25Å; E520-S627 VanDerWaalsContact OE1-CB 3.32Å; E520-S627 WeakPolarHBondContact OE1-CB 3.3Å; E520-S627 PolarHBondContact OE1-OG 2.86Å; E520-S627 WeakPolarHBondContact OE2-CB 3.47Å; E520-S627 PolarHBondContact OE2-N 2.92Å; E520-S627 PolarHBondContact OE2-OG 2.78Å; S627-D629 PolarHBondContact O-N 3.07Å; S627-L630 PolarHBondContact O-N 3.02Å; S627-L630 PolarHBondContact OG-N 3.26Å; S627-K631 PolarHBondContact O-N 2.99Å | ||
| 628 | S | 94.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 51% | 0.51 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.2 | -36.3 | 166.9 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | K631 N632 | S628-K631 PolarHBondContact O-N 3.14Å; S628-N632 WeakPolarHBondContact O-CB 3.43Å; S628-N632 PolarHBondContact O-N 3.43Å; S628-N632 PolarHBondContact O-ND2 3Å; S628-N632 PolarHBondContact O-OD1 3.47Å |
| 629 | D | 94.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -44.7 | -175.8 | -54 | -5.6 | 0 | 0 | 0 | 111 | W524 S627 N632 L633 R657 | W524-D629 HydrophobicContact CH2-CB 4.18Å; W524-D629 HydrophobicContact CZ2-CB 3.8Å; S627-D629 PolarHBondContact O-N 3.07Å; D629-N632 PolarHBondContact O-N 2.94Å; D629-L633 WeakPolarHBondContact O-CB 3.3Å; D629-L633 PolarHBondContact O-N 2.97Å; D629-R657 IonicContact OD2-NH2 2.71Å; D629-R657 PolarHBondContact OD2-NH2 2.83Å |
| 630 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 177.8 | -174.6 | 64.6 | 0 | 0 | 0 | 110.7 | E520 I523 W524 I527 V599 A603 Y626 S627 N632 L633 I634 | E520-L630 HydrophobicContact CG-CD2 4.21Å; I523-L630 HydrophobicContact CD1-CD2 4.25Å; I523-L630 HydrophobicContact CG2-CD1 3.99Å; I523-L630 HydrophobicContact CG2-CD2 4.3Å; W524-L630 HydrophobicContact CH2-CB 4.37Å; W524-L630 HydrophobicContact CH2-CD1 4.24Å; W524-L630 HydrophobicContact CZ2-CB 3.83Å; W524-L630 HydrophobicContact CZ2-CD1 4.2Å; I527-L630 HydrophobicContact CD1-CD1 3.67Å; V599-L630 HydrophobicContact CG1-CD1 3.71Å; A603-L630 HydrophobicContact CB-CD2 4.37Å; Y626-L630 HydrophobicContact CD1-CD2 3.77Å; Y626-L630 HydrophobicContact CE1-CD2 4.39Å; Y626-L630 HydrophobicContact CG-CD2 3.83Å; S627-L630 PolarHBondContact O-N 3.02Å; S627-L630 PolarHBondContact OG-N 3.26Å; L630-N632 VanDerWaalsContact C-N 3.33Å; L630-N632 PolarHBondContact O-N 3.44Å; L630-L633 PolarHBondContact O-N 3.44Å; L630-I634 HydrophobicContact CD1-CD1 4.31Å; L630-I634 HydrophobicContact CG-CD1 3.96Å; L630-I634 VanDerWaalsContact O-CG1 3.29Å; L630-I634 WeakPolarHBondContact O-CG1 3.41Å; L630-I634 PolarHBondContact O-N 3.01Å |
| 631 | K | 95.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 174.6 | -175.1 | -174 | 178.1 | 179.3 | 0 | 111.7 | M619 V622 S623 S627 S628 I634 L635 | M619-K631 HydrophobicContact CE-CG 4.06Å; V622-K631 HydrophobicContact CG1-CB 3.94Å; V622-K631 HydrophobicContact CG1-CG 4.36Å; S623-K631 WeakPolarHBondContact OG-CE 3.49Å; S623-K631 PolarHBondContact OG-NZ 3.23Å; S627-K631 PolarHBondContact O-N 2.99Å; S628-K631 PolarHBondContact O-N 3.14Å; K631-I634 PolarHBondContact O-N 3.07Å; K631-L635 WeakPolarHBondContact O-CB 3.38Å; K631-L635 PolarHBondContact O-N 2.86Å |
| 632 | N | 94.9 | Very high | 90.9 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | -178.8 | -71.7 | -17.5 | 0 | 0 | 0 | 111.7 | S628 D629 L630 L635 Y636 | S628-N632 WeakPolarHBondContact O-CB 3.43Å; S628-N632 PolarHBondContact O-N 3.43Å; S628-N632 PolarHBondContact O-ND2 3Å; S628-N632 PolarHBondContact O-OD1 3.47Å; D629-N632 PolarHBondContact O-N 2.94Å; L630-N632 VanDerWaalsContact C-N 3.33Å; L630-N632 PolarHBondContact O-N 3.44Å; N632-L635 PolarHBondContact O-N 3.18Å; N632-Y636 VanDerWaalsContact O-CB 3.25Å; N632-Y636 WeakPolarHBondContact O-CB 3.47Å; N632-Y636 PolarHBondContact O-N 2.78Å |
| 633 | L | 95.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.2 | 177.2 | 63 | 0 | 0 | 0 | 111.9 | W524 I527 D629 L630 L635 Y636 L637 I650 M653 I654 | W524-L633 HydrophobicContact CH2-CB 4.48Å; W524-L633 HydrophobicContact CH2-CD2 4.09Å; W524-L633 HydrophobicContact CZ3-CD2 3.65Å; I527-L633 HydrophobicContact CD1-CD2 3.94Å; I527-L633 HydrophobicContact CG1-CD2 4.46Å; I527-L633 HydrophobicContact CG2-CD2 3.82Å; D629-L633 WeakPolarHBondContact O-CB 3.3Å; D629-L633 PolarHBondContact O-N 2.97Å; L630-L633 PolarHBondContact O-N 3.44Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 PolarHBondContact O-N 3.43Å; L633-Y636 PolarHBondContact O-N 2.86Å; L633-L637 HydrophobicContact CD1-CD1 3.89Å; L633-L637 HydrophobicContact CD1-CG 4.03Å; L633-L637 HydrophobicContact CG-CD1 3.97Å; L633-L637 HydrophobicContact CG-CG 4.46Å; L633-L637 WeakPolarHBondContact O-CB 3.23Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3.4Å; L633-I650 HydrophobicContact CD1-CB 3.9Å; L633-I650 HydrophobicContact CD1-CD1 4.39Å; L633-I650 HydrophobicContact CD1-CG2 3.61Å; L633-M653 HydrophobicContact CB-SD 4.09Å; L633-M653 HydrophobicContact CD1-SD 3.93Å; L633-I654 HydrophobicContact CD2-CG2 4.11Å |
| 634 | I | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.5 | -66.7 | 164.8 | 0 | 0 | 0 | 110 | V599 L600 M619 V622 L630 K631 Y636 L637 L638 | V599-I634 HydrophobicContact CB-CG1 4.31Å; V599-I634 HydrophobicContact CG1-CD1 3.91Å; V599-I634 HydrophobicContact CG1-CG1 3.63Å; L600-I634 HydrophobicContact CB-CG2 4.13Å; L600-I634 HydrophobicContact CD1-CG2 4.27Å; M619-I634 HydrophobicContact CE-CB 4.44Å; M619-I634 HydrophobicContact CE-CG2 4.15Å; M619-I634 HydrophobicContact SD-CB 4.4Å; M619-I634 HydrophobicContact SD-CG2 3.54Å; M619-I634 VanDerWaalsContact SD-CG2 3.54Å; V622-I634 HydrophobicContact CG1-CD1 4.04Å; V622-I634 HydrophobicContact CG2-CD1 4.06Å; L630-I634 HydrophobicContact CD1-CD1 4.31Å; L630-I634 HydrophobicContact CG-CD1 3.96Å; L630-I634 VanDerWaalsContact O-CG1 3.29Å; L630-I634 WeakPolarHBondContact O-CG1 3.41Å; L630-I634 PolarHBondContact O-N 3.01Å; K631-I634 PolarHBondContact O-N 3.07Å; I634-Y636 PolarHBondContact O-N 3.4Å; I634-L637 PolarHBondContact O-N 3.47Å; I634-L638 HydrophobicContact CG2-CD1 3.61Å; I634-L638 HydrophobicContact CG2-CG 4.19Å; I634-L638 WeakPolarHBondContact O-CB 3.44Å; I634-L638 WeakPolarHBondContact O-CG 3.34Å; I634-L638 PolarHBondContact O-N 2.9Å |
| 635 | L | 93.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.8 | -176.3 | 64.4 | 0 | 0 | 0 | 111.6 | M619 K631 N632 L633 L637 L638 T639 | M619-L635 HydrophobicContact CE-CB 4.24Å; K631-L635 WeakPolarHBondContact O-CB 3.38Å; K631-L635 PolarHBondContact O-N 2.86Å; N632-L635 PolarHBondContact O-N 3.18Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 PolarHBondContact O-N 3.43Å; L635-L637 PolarHBondContact O-N 2.88Å; L635-L638 PolarHBondContact O-N 3.47Å; L635-T639 WeakPolarHBondContact CD1-OG1 3.37Å; L635-T639 WeakPolarHBondContact O-CB 3.43Å; L635-T639 PolarHBondContact O-N 2.93Å; L635-T639 PolarHBondContact O-OG1 3.47Å |
| 636 | Y | 93.6 | Very high | 90.3 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 21% | 0.208 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -38 | 177.7 | 177.5 | -90.4 | 0 | 0 | 0 | 112.9 | N632 L633 I634 R645 D649 I650 M653 | N632-Y636 VanDerWaalsContact O-CB 3.25Å; N632-Y636 WeakPolarHBondContact O-CB 3.47Å; N632-Y636 PolarHBondContact O-N 2.78Å; L633-Y636 PolarHBondContact O-N 2.86Å; I634-Y636 PolarHBondContact O-N 3.4Å; Y636-R645 PolarHBondContact O-NH1 2.94Å; Y636-R645 WeakPolarHBondContact OH-CG 3.42Å; Y636-D649 VanDerWaalsContact OH-CB 3.23Å; Y636-D649 WeakPolarHBondContact OH-CB 3.32Å; Y636-I650 HydrophobicContact CD1-CG2 3.58Å; Y636-I650 HydrophobicContact CE1-CG2 3.52Å; Y636-M653 HydrophobicContact CD2-CE 4.14Å; Y636-M653 HydrophobicContact CG-CE 3.97Å |
| 637 | L | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.1 | -37.5 | 178.4 | -69.8 | 173.9 | 0 | 0 | 0 | 112.7 | L592 L595 L633 I634 L635 R645 I650 | L592-L637 HydrophobicContact CB-CD2 4.09Å; L592-L637 HydrophobicContact CD2-CD2 4.15Å; L595-L637 HydrophobicContact CD2-CD1 4.17Å; L595-L637 HydrophobicContact CG-CD1 4.12Å; L633-L637 HydrophobicContact CD1-CD1 3.89Å; L633-L637 HydrophobicContact CD1-CG 4.03Å; L633-L637 HydrophobicContact CG-CD1 3.97Å; L633-L637 HydrophobicContact CG-CG 4.46Å; L633-L637 WeakPolarHBondContact O-CB 3.23Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3.4Å; I634-L637 PolarHBondContact O-N 3.47Å; L635-L637 PolarHBondContact O-N 2.88Å; L637-R645 VanDerWaalsContact C-NH1 3.32Å; L637-R645 PolarHBondContact O-NH1 3.23Å; L637-I650 HydrophobicContact CD2-CG2 4.09Å |
| 638 | L | 92.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -87.1 | -21.3 | -176.9 | -66.3 | -177.3 | 0 | 0 | 0 | 114.8 | V593 K597 L600 L615 I634 L635 | V593-L638 HydrophobicContact CG1-CD2 4.35Å; K597-L638 HydrophobicContact CG-CD2 3.79Å; L600-L638 HydrophobicContact CD2-CD1 3.81Å; L615-L638 HydrophobicContact CD1-CD1 3.9Å; I634-L638 HydrophobicContact CG2-CD1 3.61Å; I634-L638 HydrophobicContact CG2-CG 4.19Å; I634-L638 WeakPolarHBondContact O-CB 3.44Å; I634-L638 WeakPolarHBondContact O-CG 3.34Å; I634-L638 PolarHBondContact O-N 2.9Å; L635-L638 PolarHBondContact O-N 3.47Å |
| 639 | T | 89 | Confident | 90.1 | Very high | 54 Ų | 54 | 62 Ų | 62 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -77.6 | 127 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | L635 Q641 R645 | L635-T639 WeakPolarHBondContact CD1-OG1 3.37Å; L635-T639 WeakPolarHBondContact O-CB 3.43Å; L635-T639 PolarHBondContact O-N 2.93Å; L635-T639 PolarHBondContact O-OG1 3.47Å; T639-Q641 PolarHBondContact O-N 3.42Å; T639-R645 PolarHBondContact O-NH1 2.97Å; T639-R645 VanDerWaalsContact O-NH1 3.11Å |
| 640 | D | 78.6 | Confident | 89.9 | Confident | 144 Ų | 144 | 58.7 Ų | 58.7 | 77% | 0.77 | 30% | 0.304 | S | S | * | . | trans | -65.1 | 130.7 | 170 | -76.4 | -42.3 | 0 | 0 | 0 | 110.6 | ||||
| 641 | Q | 76.7 | Confident | 89.7 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | trans | -115.2 | 142.3 | -179.2 | -66.4 | -63.4 | -30.9 | 0 | 0 | 110 | T639 R643 R645 | T639-Q641 PolarHBondContact O-N 3.42Å; Q641-R643 PolarHBondContact O-N 2.95Å; Q641-R645 HydrophobicContact CB-CG 4.34Å; Q641-R645 HydrophobicContact CG-CG 4.35Å | ||
| 642 | S | 75.7 | Confident | 89.5 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 94% | 0.944 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -68.2 | -18.9 | 176.1 | 55 | 0 | 0 | 0 | 0 | 113.5 | ||
| 643 | R | 84.5 | Confident | 89.3 | Confident | 175 Ų | 175 | 64.1 Ų | 64.1 | 66% | 0.66 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -102.9 | 134.7 | 173.5 | -178.2 | 179.9 | 178.5 | -100.9 | 3.1 | 109.9 | Q641 R645 D649 | Q641-R643 PolarHBondContact O-N 2.95Å; R643-R645 PolarHBondContact O-N 3.44Å; R643-D649 IonicContact NH1-OD2 3.38Å |
| 644 | L | 84.4 | Confident | 89.2 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 59% | 0.592 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 126.1 | 169.5 | -63.3 | 175.6 | 0 | 0 | 0 | 110.2 | Q589 | Q589-L644 HydrophobicContact CG-CD2 3.68Š|
| 645 | R | 91.2 | Very high | 89 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 149.3 | -179.8 | -61.3 | 169.3 | -71.6 | -176.1 | -1.4 | 111.1 | Q589 L592 Y636 L637 T639 Q641 R643 D649 | Q589-R645 PolarHBondContact NE2-O 2.87Å; L592-R645 HydrophobicContact CD1-CB 3.68Å; Y636-R645 PolarHBondContact O-NH1 2.94Å; Y636-R645 WeakPolarHBondContact OH-CG 3.42Å; L637-R645 VanDerWaalsContact C-NH1 3.32Å; L637-R645 PolarHBondContact O-NH1 3.23Å; T639-R645 PolarHBondContact O-NH1 2.97Å; T639-R645 VanDerWaalsContact O-NH1 3.11Å; Q641-R645 HydrophobicContact CB-CG 4.34Å; Q641-R645 HydrophobicContact CG-CG 4.35Å; R643-R645 PolarHBondContact O-N 3.44Å; R645-D649 WeakPolarHBondContact CA-OD2 3.18Å |
| 646 | S | 91.8 | Very high | 88.9 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | trans | -106.2 | 155 | 170 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | N648 D649 | S646-N648 PolarHBondContact O-N 2.74Å; S646-N648 PolarHBondContact OG-N 2.67Å; S646-N648 PolarHBondContact OG-ND2 3.09Å; S646-N648 VanDerWaalsContact OG-ND2 3.13Å; S646-D649 PolarHBondContact N-OD2 2.73Å; S646-D649 WeakPolarHBondContact O-CB 3.36Å; S646-D649 PolarHBondContact O-N 3.44Å | ||
| 647 | V | 92.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.3 | 165.9 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | S531 L534 R535 H538 L592 D649 I650 | S531-V647 WeakPolarHBondContact O-CG1 3.39Å; L534-V647 HydrophobicContact CB-CG1 4.25Å; L534-V647 HydrophobicContact CB-CG2 3.75Å; R535-V647 HydrophobicContact CB-CB 4.42Å; R535-V647 HydrophobicContact CB-CG1 3.88Å; H538-V647 VanDerWaalsContact ND1-CG2 3.28Å; H538-V647 WeakPolarHBondContact ND1-CG2 3.46Å; L592-V647 HydrophobicContact CD2-CG2 3.83Å; V647-D649 VanDerWaalsContact C-N 3.3Å; V647-D649 PolarHBondContact O-N 3.38Å; V647-I650 WeakPolarHBondContact O-CG1 3.48Å |
| 648 | N | 92.9 | Very high | 89 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -72 | -22.5 | 173.7 | -55.2 | -69.8 | 0 | 0 | 0 | 112.6 | R535 S646 I650 M651 | R535-N648 PolarHBondContact NE-OD1 3.04Å; S646-N648 PolarHBondContact O-N 2.74Å; S646-N648 PolarHBondContact OG-N 2.67Å; S646-N648 PolarHBondContact OG-ND2 3.09Å; S646-N648 VanDerWaalsContact OG-ND2 3.13Å; N648-I650 VanDerWaalsContact C-N 3.27Å; N648-I650 PolarHBondContact O-N 3.22Å; N648-M651 HydrophobicContact CB-SD 4.11Å; N648-M651 VanDerWaalsContact O-CB 3.25Å; N648-M651 WeakPolarHBondContact O-CB 3.43Å; N648-M651 WeakPolarHBondContact O-CG 3.49Å; N648-M651 PolarHBondContact O-N 3.5Å; N648-M651 VanDerWaalsContact O-N 3.09Å |
| 649 | D | 92.1 | Very high | 89 | Confident | 50 Ų | 50 | 75.7 Ų | 75.7 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -70.7 | -22.3 | -177.1 | -62.8 | -19.4 | 0 | 0 | 0 | 112.5 | Y636 R643 R645 S646 V647 P652 | Y636-D649 VanDerWaalsContact OH-CB 3.23Å; Y636-D649 WeakPolarHBondContact OH-CB 3.32Å; R643-D649 IonicContact NH1-OD2 3.38Å; R645-D649 WeakPolarHBondContact CA-OD2 3.18Å; S646-D649 PolarHBondContact N-OD2 2.73Å; S646-D649 WeakPolarHBondContact O-CB 3.36Å; S646-D649 PolarHBondContact O-N 3.44Å; V647-D649 VanDerWaalsContact C-N 3.3Å; V647-D649 PolarHBondContact O-N 3.38Å; D649-P652 WeakPolarHBondContact O-CD 3.39Å |
| 650 | I | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -84.1 | -8.8 | 172.9 | 60.5 | 166.6 | 0 | 0 | 0 | 113.5 | L633 Y636 L637 V647 N648 P652 M653 I654 | L633-I650 HydrophobicContact CD1-CB 3.9Å; L633-I650 HydrophobicContact CD1-CD1 4.39Å; L633-I650 HydrophobicContact CD1-CG2 3.61Å; Y636-I650 HydrophobicContact CD1-CG2 3.58Å; Y636-I650 HydrophobicContact CE1-CG2 3.52Å; L637-I650 HydrophobicContact CD2-CG2 4.09Å; V647-I650 WeakPolarHBondContact O-CG1 3.48Å; N648-I650 VanDerWaalsContact C-N 3.27Å; N648-I650 PolarHBondContact O-N 3.22Å; I650-P652 VanDerWaalsContact C-CD 3.41Å; I650-P652 VanDerWaalsContact C-N 3.34Å; I650-M653 WeakPolarHBondContact O-CB 3.43Å; I650-M653 PolarHBondContact O-N 3.12Å; I650-I654 HydrophobicContact CD1-CD1 4.04Å; I650-I654 HydrophobicContact CG1-CD1 4.19Å; I650-I654 PolarHBondContact O-N 2.94Å |
| 651 | M | 89.3 | Confident | 89.7 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.6 | -37.3 | -178.2 | -73 | -178.5 | 64.6 | 0 | 0 | 114.6 | N648 M653 I654 G655 | N648-M651 HydrophobicContact CB-SD 4.11Å; N648-M651 VanDerWaalsContact O-CB 3.25Å; N648-M651 WeakPolarHBondContact O-CB 3.43Å; N648-M651 WeakPolarHBondContact O-CG 3.49Å; N648-M651 PolarHBondContact O-N 3.5Å; N648-M651 VanDerWaalsContact O-N 3.09Å; M651-M653 PolarHBondContact O-N 2.69Å; M651-I654 PolarHBondContact O-N 3.12Å; M651-G655 WeakPolarHBondContact O-CA 3.36Å; M651-G655 PolarHBondContact O-N 3.07Å |
| 652 | P | 91.4 | Very high | 90.4 | Very high | 119 Ų | 119 | 72.8 Ų | 72.8 | 77% | 0.773 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.4 | -28.8 | 175.1 | -25.6 | 36.4 | 0 | 0 | 0 | 114 | D649 I650 | D649-P652 WeakPolarHBondContact O-CD 3.39Å; I650-P652 VanDerWaalsContact C-CD 3.41Å; I650-P652 VanDerWaalsContact C-N 3.34Å |
| 653 | M | 90.1 | Very high | 91.1 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -82.8 | -27.6 | 179.9 | -54.7 | 179.8 | -171.2 | 0 | 0 | 112.6 | L633 Y636 I650 M651 | L633-M653 HydrophobicContact CB-SD 4.09Å; L633-M653 HydrophobicContact CD1-SD 3.93Å; Y636-M653 HydrophobicContact CD2-CE 4.14Å; Y636-M653 HydrophobicContact CG-CE 3.97Å; I650-M653 WeakPolarHBondContact O-CB 3.43Å; I650-M653 PolarHBondContact O-N 3.12Å; M651-M653 PolarHBondContact O-N 2.69Å |
| 654 | I | 93.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -113.5 | -10.6 | -172.5 | 67.7 | 175 | 0 | 0 | 0 | 114.3 | W524 I527 S531 L633 I650 M651 A656 R657 F658 | W524-I654 HydrophobicContact CE3-CG2 4.39Å; W524-I654 HydrophobicContact CZ3-CG2 3.84Å; I527-I654 HydrophobicContact CG2-CG2 3.86Å; S531-I654 WeakPolarHBondContact OG-CD1 3.27Å; L633-I654 HydrophobicContact CD2-CG2 4.11Å; I650-I654 HydrophobicContact CD1-CD1 4.04Å; I650-I654 HydrophobicContact CG1-CD1 4.19Å; I650-I654 PolarHBondContact O-N 2.94Å; M651-I654 PolarHBondContact O-N 3.12Å; I654-A656 PolarHBondContact O-N 3.2Å; I654-R657 WeakPolarHBondContact O-CA 3.39Å; I654-R657 WeakPolarHBondContact O-CB 3.3Å; I654-R657 PolarHBondContact O-N 2.7Å; I654-F658 HydrophobicContact CD1-CE2 3.68Å; I654-F658 HydrophobicContact CD1-CZ 4.44Å; I654-F658 HydrophobicContact CG1-CD2 4.33Å; I654-F658 HydrophobicContact CG1-CE2 3.87Å; I654-F658 PolarHBondContact O-N 3.47Å |
| 655 | G | 91.6 | Very high | 91.4 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M651 R657 F658 | M651-G655 WeakPolarHBondContact O-CA 3.36Å; M651-G655 PolarHBondContact O-N 3.07Å; G655-R657 VanDerWaalsContact C-N 3.27Å; G655-R657 PolarHBondContact O-N 2.77Å; G655-F658 WeakPolarHBondContact O-CB 3.21Å; G655-F658 PolarHBondContact O-N 2.72Å |
| 656 | A | 91.9 | Very high | 91.3 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -31.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I654 F658 Y659 | I654-A656 PolarHBondContact O-N 3.2Å; A656-F658 VanDerWaalsContact C-N 3.31Å; A656-F658 PolarHBondContact O-N 2.8Å; A656-Y659 PolarHBondContact O-N 3.35Å |
| 657 | R | 93.6 | Very high | 91.1 | Very high | 78 Ų | 78 | 67.7 Ų | 67.7 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.7 | -21.4 | -179.4 | -48.2 | -64.9 | -178.3 | 150.8 | 2.3 | 112.4 | W524 V528 D629 I654 G655 Y659 T660 Q661 | W524-R657 HydrophobicContact CD2-CG 4.16Å; W524-R657 HydrophobicContact CE3-CG 4.22Å; W524-R657 HydrophobicContact CG-CG 4.31Å; V528-R657 HydrophobicContact CG2-CB 3.96Å; D629-R657 IonicContact OD2-NH2 2.71Å; D629-R657 PolarHBondContact OD2-NH2 2.83Å; I654-R657 WeakPolarHBondContact O-CA 3.39Å; I654-R657 WeakPolarHBondContact O-CB 3.3Å; I654-R657 PolarHBondContact O-N 2.7Å; G655-R657 VanDerWaalsContact C-N 3.27Å; G655-R657 PolarHBondContact O-N 2.77Å; R657-Y659 VanDerWaalsContact C-N 3.31Å; R657-Y659 PolarHBondContact O-N 2.84Å; R657-T660 PolarHBondContact O-N 3.09Å; R657-Q661 PolarHBondContact O-N 3.05Å; R657-Q661 VanDerWaalsContact O-N 3.13Å |
| 658 | F | 93.6 | Very high | 90.8 | Very high | 71 Ų | 71 | 72 Ų | 72 | 31% | 0.311 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 172.1 | -89 | -89.3 | 0 | 0 | 0 | 112.2 | V528 I654 G655 A656 Q661 L662 | V528-F658 HydrophobicContact CG1-CD1 3.57Å; V528-F658 HydrophobicContact CG1-CD2 4.24Å; V528-F658 HydrophobicContact CG1-CE1 3.6Å; V528-F658 HydrophobicContact CG1-CE2 4.27Å; V528-F658 HydrophobicContact CG1-CG 3.91Å; V528-F658 HydrophobicContact CG1-CZ 3.95Å; V528-F658 HydrophobicContact CG2-CD2 4.47Å; I654-F658 HydrophobicContact CD1-CE2 3.68Å; I654-F658 HydrophobicContact CD1-CZ 4.44Å; I654-F658 HydrophobicContact CG1-CD2 4.33Å; I654-F658 HydrophobicContact CG1-CE2 3.87Å; I654-F658 PolarHBondContact O-N 3.47Å; G655-F658 WeakPolarHBondContact O-CB 3.21Å; G655-F658 PolarHBondContact O-N 2.72Å; A656-F658 VanDerWaalsContact C-N 3.31Å; A656-F658 PolarHBondContact O-N 2.8Å; F658-Q661 PolarHBondContact O-N 3.2Å; F658-L662 WeakPolarHBondContact O-CB 3.43Å; F658-L662 PolarHBondContact O-N 2.82Å |
| 659 | Y | 93.6 | Very high | 90.5 | Very high | 173 Ų | 173 | 72.8 Ų | 72.8 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 178 | -62 | -63.7 | 0 | 0 | 0 | 111.6 | A656 R657 Q661 L662 D663 | A656-Y659 PolarHBondContact O-N 3.35Å; R657-Y659 VanDerWaalsContact C-N 3.31Å; R657-Y659 PolarHBondContact O-N 2.84Å; Y659-Q661 VanDerWaalsContact C-N 3.29Å; Y659-Q661 PolarHBondContact O-N 3.16Å; Y659-L662 PolarHBondContact O-N 3.31Å; Y659-D663 VanDerWaalsContact O-CB 3.24Å; Y659-D663 WeakPolarHBondContact O-CB 3.25Å; Y659-D663 PolarHBondContact O-N 2.68Å |
| 660 | T | 91.5 | Very high | 90.2 | Very high | 94 Ų | 94 | 75 Ų | 75 | 58% | 0.577 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.4 | -37.4 | 174.6 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | R657 A664 | R657-T660 PolarHBondContact O-N 3.09Å; T660-A664 WeakPolarHBondContact O-CB 3.44Å; T660-A664 PolarHBondContact O-N 3.49Å |
| 661 | Q | 89.6 | Confident | 89.9 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -76.1 | -28.9 | 178.6 | -175.4 | 55.8 | 82.3 | 0 | 0 | 113.1 | A525 V528 R657 F658 Y659 S665 | A525-Q661 VanDerWaalsContact CB-OE1 3.29Å; V528-Q661 HydrophobicContact CB-CB 4.45Å; V528-Q661 HydrophobicContact CB-CG 4.37Å; V528-Q661 HydrophobicContact CG1-CB 3.87Å; V528-Q661 HydrophobicContact CG1-CG 3.79Å; R657-Q661 PolarHBondContact O-N 3.05Å; R657-Q661 VanDerWaalsContact O-N 3.13Å; F658-Q661 PolarHBondContact O-N 3.2Å; Y659-Q661 VanDerWaalsContact C-N 3.29Å; Y659-Q661 PolarHBondContact O-N 3.16Å; Q661-S665 WeakPolarHBondContact O-CB 3.3Å; Q661-S665 PolarHBondContact O-N 3.13Å |
| 662 | L | 91.6 | Very high | 89.8 | Confident | 99 Ų | 99 | 78.8 Ų | 78.8 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.1 | -51.7 | 172.9 | 176.4 | 61.1 | 0 | 0 | 0 | 110.6 | F658 Y659 A664 S665 Q666 | F658-L662 WeakPolarHBondContact O-CB 3.43Å; F658-L662 PolarHBondContact O-N 2.82Å; Y659-L662 PolarHBondContact O-N 3.31Å; L662-A664 PolarHBondContact O-N 2.87Å; L662-S665 CarbonylContact O-C 3.59Å; L662-S665 WeakPolarHBondContact O-CA 3.32Å; L662-S665 VanDerWaalsContact O-CB 3.3Å; L662-S665 WeakPolarHBondContact O-CB 3.36Å; L662-S665 PolarHBondContact O-N 2.71Å; L662-Q666 HydrophobicContact CD1-CG 4.46Å; L662-Q666 WeakPolarHBondContact O-CG 3.34Å; L662-Q666 PolarHBondContact O-N 3.18Å |
| 663 | D | 91.4 | Very high | 89.5 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -55.3 | -49.6 | 176.1 | 176.7 | 56.6 | 0 | 0 | 0 | 111.6 | Y659 S665 Q666 M667 | Y659-D663 VanDerWaalsContact O-CB 3.24Å; Y659-D663 WeakPolarHBondContact O-CB 3.25Å; Y659-D663 PolarHBondContact O-N 2.68Å; D663-S665 PolarHBondContact O-N 3.35Å; D663-S665 VanDerWaalsContact O-N 3.16Å; D663-Q666 PolarHBondContact O-N 2.94Å; D663-M667 PolarHBondContact O-N 3.32Å; D663-M667 WeakPolarHBondContact OD2-CE 3.4Å |
| 664 | A | 87.2 | Confident | 89.4 | Confident | 47 Ų | 47 | 81 Ų | 81 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -18.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T660 L662 R668 | T660-A664 WeakPolarHBondContact O-CB 3.44Å; T660-A664 PolarHBondContact O-N 3.49Å; L662-A664 PolarHBondContact O-N 2.87Å; A664-R668 WeakPolarHBondContact O-CB 3.48Å |
| 665 | S | 86.8 | Confident | 88.9 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -86.7 | -30.1 | 171.3 | -166.3 | 0 | 0 | 0 | 0 | 112.4 | Q661 L662 D663 N669 | Q661-S665 WeakPolarHBondContact O-CB 3.3Å; Q661-S665 PolarHBondContact O-N 3.13Å; L662-S665 CarbonylContact O-C 3.59Å; L662-S665 WeakPolarHBondContact O-CA 3.32Å; L662-S665 VanDerWaalsContact O-CB 3.3Å; L662-S665 WeakPolarHBondContact O-CB 3.36Å; L662-S665 PolarHBondContact O-N 2.71Å; D663-S665 PolarHBondContact O-N 3.35Å; D663-S665 VanDerWaalsContact O-N 3.16Å; S665-N669 VanDerWaalsContact O-CG 3.23Å; S665-N669 PolarHBondContact O-N 2.99Å; S665-N669 VanDerWaalsContact O-N 3.15Å; S665-N669 PolarHBondContact O-OD1 3.05Å |
| 666 | Q | 89.8 | Confident | 88.7 | Confident | 101 Ų | 101 | 84.9 Ų | 84.9 | 47% | 0.472 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.9 | -53 | 175.7 | -69.9 | 175.5 | -70.1 | 0 | 0 | 110.1 | L662 D663 R668 N669 D670 | L662-Q666 HydrophobicContact CD1-CG 4.46Å; L662-Q666 WeakPolarHBondContact O-CG 3.34Å; L662-Q666 PolarHBondContact O-N 3.18Å; D663-Q666 PolarHBondContact O-N 2.94Å; Q666-R668 PolarHBondContact O-N 3.46Å; Q666-N669 WeakPolarHBondContact O-CA 3.49Å; Q666-N669 WeakPolarHBondContact O-CB 2.91Å; Q666-N669 PolarHBondContact O-N 3.41Å; Q666-D670 VanDerWaalsContact O-CG 3.24Å; Q666-D670 PolarHBondContact O-N 2.87Å |
| 667 | M | 88.1 | Confident | 88.4 | Confident | 95 Ų | 95 | 83.2 Ų | 83.2 | 47% | 0.468 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.4 | -31.5 | 173 | -72.9 | -175 | -77.1 | 0 | 0 | 113.3 | D663 D670 V671 | D663-M667 PolarHBondContact O-N 3.32Å; D663-M667 WeakPolarHBondContact OD2-CE 3.4Å; M667-D670 WeakPolarHBondContact CA-OD2 2.88Å; M667-V671 WeakPolarHBondContact O-CG2 3.46Å; M667-V671 PolarHBondContact O-N 3.15Å |
| 668 | R | 84.5 | Confident | 88 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 37% | 0.366 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 173.7 | -178.9 | 175.1 | -178.5 | 168.7 | 7.1 | 112.4 | A664 Q666 I672 | A664-R668 WeakPolarHBondContact O-CB 3.48Å; Q666-R668 PolarHBondContact O-N 3.46Å; R668-I672 HydrophobicContact CG-CD1 3.97Å; R668-I672 WeakPolarHBondContact O-CD1 3.34Å; R668-I672 VanDerWaalsContact O-CG1 3.3Å; R668-I672 WeakPolarHBondContact O-CG1 3.47Å; R668-I672 PolarHBondContact O-N 2.9Å |
| 669 | N | 86.7 | Confident | 87.8 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 175.3 | -67.9 | -8.5 | 0 | 0 | 0 | 110.1 | S665 Q666 V671 I672 E673 | S665-N669 VanDerWaalsContact O-CG 3.23Å; S665-N669 PolarHBondContact O-N 2.99Å; S665-N669 VanDerWaalsContact O-N 3.15Å; S665-N669 PolarHBondContact O-OD1 3.05Å; Q666-N669 WeakPolarHBondContact O-CA 3.49Å; Q666-N669 WeakPolarHBondContact O-CB 2.91Å; Q666-N669 PolarHBondContact O-N 3.41Å; N669-V671 VanDerWaalsContact C-N 3.29Å; N669-V671 PolarHBondContact O-N 3.28Å; N669-I672 CarbonylContact O-C 3.55Å; N669-I672 WeakPolarHBondContact O-CA 3.35Å; N669-I672 WeakPolarHBondContact O-CB 3.46Å; N669-I672 PolarHBondContact O-N 3.41Å; N669-E673 PolarHBondContact O-N 3.04Å |
| 670 | D | 86.9 | Confident | 87.6 | Confident | 96 Ų | 96 | 77.5 Ų | 77.5 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.5 | -44.3 | 179.5 | -52.2 | -25.1 | 0 | 0 | 0 | 111.8 | Q666 M667 I672 E673 E674 | Q666-D670 VanDerWaalsContact O-CG 3.24Å; Q666-D670 PolarHBondContact O-N 2.87Å; M667-D670 WeakPolarHBondContact CA-OD2 2.88Å; D670-I672 PolarHBondContact O-N 2.99Å; D670-E673 PolarHBondContact O-N 3.06Å; D670-E674 WeakPolarHBondContact O-CB 3.29Å; D670-E674 PolarHBondContact O-N 2.9Å |
| 671 | V | 85.4 | Confident | 87.5 | Confident | 93 Ų | 93 | 77 Ų | 77 | 56% | 0.564 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.7 | -36.6 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | M667 N669 D675 | M667-V671 WeakPolarHBondContact O-CG2 3.46Å; M667-V671 PolarHBondContact O-N 3.15Å; N669-V671 VanDerWaalsContact C-N 3.29Å; N669-V671 PolarHBondContact O-N 3.28Å; V671-D675 PolarHBondContact O-N 3.45Å; V671-D675 VanDerWaalsContact O-N 3.12Å |
| 672 | I | 86.2 | Confident | 87.5 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 36% | 0.359 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.9 | -36.1 | 177.6 | -69.5 | 168.2 | 0 | 0 | 0 | 111 | R668 N669 D670 L676 | R668-I672 HydrophobicContact CG-CD1 3.97Å; R668-I672 WeakPolarHBondContact O-CD1 3.34Å; R668-I672 VanDerWaalsContact O-CG1 3.3Å; R668-I672 WeakPolarHBondContact O-CG1 3.47Å; R668-I672 PolarHBondContact O-N 2.9Å; N669-I672 CarbonylContact O-C 3.55Å; N669-I672 WeakPolarHBondContact O-CA 3.35Å; N669-I672 WeakPolarHBondContact O-CB 3.46Å; N669-I672 PolarHBondContact O-N 3.41Å; D670-I672 PolarHBondContact O-N 2.99Å; I672-L676 WeakPolarHBondContact O-CB 3.47Å; I672-L676 PolarHBondContact O-N 3.28Å |
| 673 | E | 86.8 | Confident | 87.6 | Confident | 125 Ų | 125 | 72.7 Ų | 72.7 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | 176.6 | -72.1 | -177.6 | -156.5 | 0 | 0 | 111.6 | N669 D670 L676 A677 | N669-E673 PolarHBondContact O-N 3.04Å; D670-E673 PolarHBondContact O-N 3.06Å; E673-L676 PolarHBondContact O-N 2.92Å; E673-A677 WeakPolarHBondContact O-CB 3.49Å; E673-A677 PolarHBondContact O-N 3.46Å |
| 674 | E | 86.4 | Confident | 87.7 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 172.7 | 171.5 | 56.8 | -159.5 | 0 | 0 | 112.5 | D670 L676 A677 K678 | D670-E674 WeakPolarHBondContact O-CB 3.29Å; D670-E674 PolarHBondContact O-N 2.9Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.43Å; E674-A677 PolarHBondContact O-N 2.86Å; E674-K678 WeakPolarHBondContact O-CG 3.25Å; E674-K678 PolarHBondContact O-N 3.36Å; E674-K678 VanDerWaalsContact O-N 3.12Å; E674-K678 WeakPolarHBondContact OE1-CE 3.34Å; E674-K678 IonicContact OE1-NZ 2.66Å |
| 675 | D | 84.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.2 | -31.6 | 174.4 | -90.8 | 6.8 | 0 | 0 | 0 | 112.3 | M351 A352 L355 V671 K678 E679 | M351-D675 HydrophobicContact CG-CB 4.21Å; M351-D675 WeakPolarHBondContact CG-OD2 3.42Å; A352-D675 PolarHBondContact N-OD2 3.28Å; L355-D675 HydrophobicContact CD2-CB 4.23Å; V671-D675 PolarHBondContact O-N 3.45Å; V671-D675 VanDerWaalsContact O-N 3.12Å; D675-K678 IonicContact OD1-NZ 2.75Å; D675-K678 PolarHBondContact OD1-NZ 2.89Å; D675-E679 PolarHBondContact O-N 3Å |
| 676 | L | 87.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 170.5 | 178.8 | 61.2 | 0 | 0 | 0 | 111.8 | I672 E673 E674 K678 E679 V680 | I672-L676 WeakPolarHBondContact O-CB 3.47Å; I672-L676 PolarHBondContact O-N 3.28Å; E673-L676 PolarHBondContact O-N 2.92Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.43Å; L676-K678 VanDerWaalsContact C-N 3.31Å; L676-K678 PolarHBondContact O-N 3.19Å; L676-E679 PolarHBondContact O-N 3.05Å; L676-V680 HydrophobicContact CD1-CG2 4.45Å; L676-V680 WeakPolarHBondContact O-CG2 3.49Å; L676-V680 PolarHBondContact O-N 3.26Å |
| 677 | A | 85.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E673 E674 V680 Q681 | E673-A677 WeakPolarHBondContact O-CB 3.49Å; E673-A677 PolarHBondContact O-N 3.46Å; E674-A677 PolarHBondContact O-N 2.86Å; A677-V680 PolarHBondContact O-N 3.39Å; A677-Q681 WeakPolarHBondContact O-CG 3.23Å; A677-Q681 PolarHBondContact O-N 3.33Å; A677-Q681 PolarHBondContact O-NE2 3.24Å |
| 678 | K | 85.6 | Confident | 89.1 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 170.5 | -66.3 | 165.3 | -154.2 | 162.1 | 0 | 111.2 | E674 D675 L676 V680 Q681 N682 | E674-K678 WeakPolarHBondContact O-CG 3.25Å; E674-K678 PolarHBondContact O-N 3.36Å; E674-K678 VanDerWaalsContact O-N 3.12Å; E674-K678 WeakPolarHBondContact OE1-CE 3.34Å; E674-K678 IonicContact OE1-NZ 2.66Å; D675-K678 IonicContact OD1-NZ 2.75Å; D675-K678 PolarHBondContact OD1-NZ 2.89Å; L676-K678 VanDerWaalsContact C-N 3.31Å; L676-K678 PolarHBondContact O-N 3.19Å; K678-V680 VanDerWaalsContact C-N 3.34Å; K678-V680 PolarHBondContact O-N 2.88Å; K678-Q681 CarbonylContact O-C 3.59Å; K678-Q681 WeakPolarHBondContact O-CA 3.48Å; K678-Q681 WeakPolarHBondContact O-CB 3.43Å; K678-Q681 PolarHBondContact O-N 3.44Å; K678-Q681 VanDerWaalsContact O-N 3.09Å; K678-N682 WeakPolarHBondContact O-CB 3.33Å; K678-N682 VanDerWaalsContact O-CG 3.27Å; K678-N682 PolarHBondContact O-N 2.7Å; K678-N682 PolarHBondContact O-ND2 2.78Å |
| 679 | E | 88.7 | Confident | 89.6 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 36% | 0.36 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.4 | -30 | 179.9 | -66.7 | -51.2 | 112.6 | 0 | 0 | 113.6 | M351 D675 L676 N682 G683 | M351-E679 HydrophobicContact CB-CG 4.49Å; M351-E679 HydrophobicContact CE-CG 3.97Å; D675-E679 PolarHBondContact O-N 3Å; L676-E679 PolarHBondContact O-N 3.05Å; E679-N682 PolarHBondContact O-N 3.11Å; E679-N682 PolarHBondContact OE1-ND2 3.14Å; E679-G683 PolarHBondContact O-N 2.67Å |
| 680 | V | 90.1 | Very high | 90 | Very high | 90 Ų | 90 | 70.3 Ų | 70.3 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 169 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L676 A677 K678 R684 | L676-V680 HydrophobicContact CD1-CG2 4.45Å; L676-V680 WeakPolarHBondContact O-CG2 3.49Å; L676-V680 PolarHBondContact O-N 3.26Å; A677-V680 PolarHBondContact O-N 3.39Å; K678-V680 VanDerWaalsContact C-N 3.34Å; K678-V680 PolarHBondContact O-N 2.88Å; V680-R684 PolarHBondContact O-N 3.08Å; V680-R684 VanDerWaalsContact O-N 3.07Å |
| 681 | Q | 88.3 | Confident | 90.3 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 173.5 | -70.3 | 174.7 | 56.9 | 0 | 0 | 111.5 | A677 K678 G683 R684 L685 | A677-Q681 WeakPolarHBondContact O-CG 3.23Å; A677-Q681 PolarHBondContact O-N 3.33Å; A677-Q681 PolarHBondContact O-NE2 3.24Å; K678-Q681 CarbonylContact O-C 3.59Å; K678-Q681 WeakPolarHBondContact O-CA 3.48Å; K678-Q681 WeakPolarHBondContact O-CB 3.43Å; K678-Q681 PolarHBondContact O-N 3.44Å; K678-Q681 VanDerWaalsContact O-N 3.09Å; Q681-G683 VanDerWaalsContact C-N 3.33Å; Q681-G683 PolarHBondContact O-N 2.79Å; Q681-R684 WeakPolarHBondContact O-CA 3.42Å; Q681-R684 WeakPolarHBondContact O-CB 3.41Å; Q681-R684 PolarHBondContact O-N 2.97Å; Q681-L685 VanDerWaalsContact O-CG 3.3Å; Q681-L685 WeakPolarHBondContact O-CG 3.08Å; Q681-L685 PolarHBondContact O-N 2.93Å |
| 682 | N | 90.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 178 | -68.5 | -30.9 | 0 | 0 | 0 | 111.4 | F349 F350 K678 E679 R684 L685 F686 | F349-N682 PolarHBondContact O-ND2 2.85Å; F349-N682 PolarHBondContact O-OD1 3.3Å; F350-N682 WeakPolarHBondContact CD1-ND2 3.5Å; K678-N682 WeakPolarHBondContact O-CB 3.33Å; K678-N682 VanDerWaalsContact O-CG 3.27Å; K678-N682 PolarHBondContact O-N 2.7Å; K678-N682 PolarHBondContact O-ND2 2.78Å; E679-N682 PolarHBondContact O-N 3.11Å; E679-N682 PolarHBondContact OE1-ND2 3.14Å; N682-R684 VanDerWaalsContact C-N 3.33Å; N682-R684 PolarHBondContact O-N 3.47Å; N682-L685 PolarHBondContact O-N 3.03Å; N682-F686 WeakPolarHBondContact O-CB 3.34Å; N682-F686 PolarHBondContact O-N 2.93Å |
| 683 | G | 92.6 | Very high | 90.9 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E679 Q681 R687 | E679-G683 PolarHBondContact O-N 2.67Å; Q681-G683 VanDerWaalsContact C-N 3.33Å; Q681-G683 PolarHBondContact O-N 2.79Å; G683-R687 WeakPolarHBondContact O-CG 3.49Å; G683-R687 PolarHBondContact O-N 2.91Å; G683-R687 PolarHBondContact O-NH1 3.19Å; G683-R687 VanDerWaalsContact O-NH1 3.09Å |
| 684 | R | 94.3 | Very high | 91.1 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -48.1 | 172.7 | -177.2 | -178.3 | 73.4 | 168.7 | -9.5 | 111.4 | V680 Q681 N682 F686 R687 L688 N745 D748 | V680-R684 PolarHBondContact O-N 3.08Å; V680-R684 VanDerWaalsContact O-N 3.07Å; Q681-R684 WeakPolarHBondContact O-CA 3.42Å; Q681-R684 WeakPolarHBondContact O-CB 3.41Å; Q681-R684 PolarHBondContact O-N 2.97Å; N682-R684 VanDerWaalsContact C-N 3.33Å; N682-R684 PolarHBondContact O-N 3.47Å; R684-F686 VanDerWaalsContact C-N 3.34Å; R684-F686 PolarHBondContact O-N 3.38Å; R684-R687 PolarHBondContact O-N 3.39Å; R684-L688 HydrophobicContact CG-CD1 4.2Å; R684-L688 WeakPolarHBondContact O-CG 3.37Å; R684-L688 PolarHBondContact O-N 2.97Å; R684-N745 PolarHBondContact NH2-OD1 3.14Å; R684-D748 VanDerWaalsContact CD-OD2 3.25Å; R684-D748 WeakPolarHBondContact CD-OD2 3.49Å; R684-D748 IonicContact CZ-OD2 2.74Å; R684-D748 IonicContact NE-OD2 2.68Å; R684-D748 PolarHBondContact NE-OD2 3.36Å; R684-D748 IonicContact NH1-OD2 2.67Å; R684-D748 PolarHBondContact NH1-OD2 3.25Å |
| 685 | L | 94.4 | Very high | 91.3 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 177.4 | -66.3 | 170.1 | 0 | 0 | 0 | 111.3 | Q681 N682 R687 L688 L689 V741 L744 | Q681-L685 VanDerWaalsContact O-CG 3.3Å; Q681-L685 WeakPolarHBondContact O-CG 3.08Å; Q681-L685 PolarHBondContact O-N 2.93Å; N682-L685 PolarHBondContact O-N 3.03Å; L685-R687 PolarHBondContact O-N 2.93Å; L685-L688 WeakPolarHBondContact O-CB 3.38Å; L685-L688 PolarHBondContact O-N 3.28Å; L685-L689 WeakPolarHBondContact O-CG 3.47Å; L685-L689 PolarHBondContact O-N 3.34Å; L685-V741 HydrophobicContact CD1-CG1 4.03Å; L685-V741 HydrophobicContact CD1-CG2 4.26Å; L685-L744 HydrophobicContact CD2-CB 3.38Å; L685-L744 HydrophobicContact CD2-CD1 4.07Å; L685-L744 HydrophobicContact CD2-CG 4.37Å |
| 686 | F | 95.5 | Very high | 91.5 | Very high | 150 Ų | 150 | 56.3 Ų | 56.3 | 66% | 0.658 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.5 | -45.2 | 173.8 | 175.9 | -101.2 | 0 | 0 | 0 | 112.6 | N682 R684 L688 L689 A690 | N682-F686 WeakPolarHBondContact O-CB 3.34Å; N682-F686 PolarHBondContact O-N 2.93Å; R684-F686 VanDerWaalsContact C-N 3.34Å; R684-F686 PolarHBondContact O-N 3.38Å; F686-L688 VanDerWaalsContact C-N 3.33Å; F686-L688 PolarHBondContact O-N 3.32Å; F686-L689 PolarHBondContact O-N 3.06Å; F686-A690 WeakPolarHBondContact O-CB 3.31Å; F686-A690 PolarHBondContact O-N 2.92Å |
| 687 | R | 95.3 | Very high | 91.2 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 56% | 0.562 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.1 | -37.6 | 176.7 | -72.6 | -177 | -63.4 | -91.1 | 5.2 | 112.5 | G683 R684 L685 K691 | G683-R687 WeakPolarHBondContact O-CG 3.49Å; G683-R687 PolarHBondContact O-N 2.91Å; G683-R687 PolarHBondContact O-NH1 3.19Å; G683-R687 VanDerWaalsContact O-NH1 3.09Å; R684-R687 PolarHBondContact O-N 3.39Å; L685-R687 PolarHBondContact O-N 2.93Å; R687-K691 WeakPolarHBondContact O-CG 3.43Å; R687-K691 PolarHBondContact O-N 2.99Å |
| 688 | L | 95.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.3 | -67.7 | 161.1 | 0 | 0 | 0 | 111.8 | R684 L685 F686 K691 L692 D748 F777 | R684-L688 HydrophobicContact CG-CD1 4.2Å; R684-L688 WeakPolarHBondContact O-CG 3.37Å; R684-L688 PolarHBondContact O-N 2.97Å; L685-L688 WeakPolarHBondContact O-CB 3.38Å; L685-L688 PolarHBondContact O-N 3.28Å; F686-L688 VanDerWaalsContact C-N 3.33Å; F686-L688 PolarHBondContact O-N 3.32Å; L688-K691 WeakPolarHBondContact O-CB 3.25Å; L688-K691 PolarHBondContact O-N 2.82Å; L688-L692 WeakPolarHBondContact O-CB 3.14Å; L688-L692 PolarHBondContact O-N 3.3Å; L688-D748 HydrophobicContact CD1-CB 3.66Å; L688-F777 HydrophobicContact CD2-CE1 3.69Å; L688-F777 HydrophobicContact CD2-CZ 3.83Å |
| 689 | L | 95.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 176.2 | -70 | -175.6 | 0 | 0 | 0 | 112.7 | L685 F686 L692 G693 L723 F724 L744 | L685-L689 WeakPolarHBondContact O-CG 3.47Å; L685-L689 PolarHBondContact O-N 3.34Å; F686-L689 PolarHBondContact O-N 3.06Å; L689-L692 HydrophobicContact CD2-CD2 4.44Å; L689-L692 PolarHBondContact O-N 2.72Å; L689-G693 PolarHBondContact O-N 3.13Å; L689-L723 HydrophobicContact CD2-CD2 4.24Å; L689-F724 HydrophobicContact CD1-CZ 4.35Å; L689-F724 HydrophobicContact CD2-CE2 4.22Å; L689-F724 HydrophobicContact CD2-CZ 3.6Å; L689-L744 HydrophobicContact CD1-CD1 4.1Å; L689-L744 HydrophobicContact CD2-CD1 3.73Å; L689-L744 HydrophobicContact CD2-CD2 3.75Å; L689-L744 HydrophobicContact CD2-CG 4.37Å; L689-L744 HydrophobicContact CG-CD1 3.92Å; L689-L744 HydrophobicContact CG-CD2 4.48Å |
| 690 | A | 95.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F686 T694 | F686-A690 WeakPolarHBondContact O-CB 3.31Å; F686-A690 PolarHBondContact O-N 2.92Å; A690-T694 WeakPolarHBondContact O-CB 3.29Å; A690-T694 PolarHBondContact O-N 2.75Å; A690-T694 PolarHBondContact O-OG1 3.31Å |
| 691 | K | 94.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -51.1 | 171.1 | -78.5 | -175.7 | 168 | -168.2 | 0 | 111.5 | R687 L688 G693 T694 I695 F777 D778 F781 | R687-K691 WeakPolarHBondContact O-CG 3.43Å; R687-K691 PolarHBondContact O-N 2.99Å; L688-K691 WeakPolarHBondContact O-CB 3.25Å; L688-K691 PolarHBondContact O-N 2.82Å; K691-G693 VanDerWaalsContact C-N 3.34Å; K691-G693 PolarHBondContact O-N 3.02Å; K691-T694 WeakPolarHBondContact O-CA 3.33Å; K691-T694 WeakPolarHBondContact O-CB 3.47Å; K691-T694 PolarHBondContact O-N 3.21Å; K691-I695 WeakPolarHBondContact O-CG1 3.49Å; K691-I695 PolarHBondContact O-N 3.4Å; K691-F777 HydrophobicContact CB-CE1 4.44Å; K691-F777 HydrophobicContact CB-CE2 3.78Å; K691-F777 HydrophobicContact CB-CZ 3.47Å; K691-F777 VanDerWaalsContact CB-CZ 3.47Å; K691-F777 HydrophobicContact CD-CE1 3.58Å; K691-F777 HydrophobicContact CD-CE2 4.4Å; K691-F777 HydrophobicContact CD-CZ 3.42Å; K691-F777 VanDerWaalsContact CD-CZ 3.42Å; K691-F777 HydrophobicContact CG-CZ 4.12Å; K691-D778 IonicContact NZ-OD1 3.76Å; K691-D778 PolarHBondContact NZ-OD1 3.06Å; K691-D778 VanDerWaalsContact NZ-OD1 3.14Å; K691-F781 HydrophobicContact CB-CD2 4.08Å; K691-F781 HydrophobicContact CB-CE2 4.15Å; K691-F781 HydrophobicContact CB-CG 4.44Å; K691-F781 HydrophobicContact CD-CD1 3.9Å; K691-F781 HydrophobicContact CD-CE1 4.13Å; K691-F781 HydrophobicContact CD-CG 4.14Å; K691-F781 HydrophobicContact CG-CD1 3.95Å; K691-F781 HydrophobicContact CG-CD2 3.96Å; K691-F781 HydrophobicContact CG-CE1 3.81Å; K691-F781 HydrophobicContact CG-CE2 3.82Å; K691-F781 HydrophobicContact CG-CG 4.04Å; K691-F781 HydrophobicContact CG-CZ 3.75Å |
| 692 | L | 93.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | -177.4 | -172.8 | 60.2 | 0 | 0 | 0 | 112 | L688 L689 T694 I695 N696 L716 L723 F777 | L688-L692 WeakPolarHBondContact O-CB 3.14Å; L688-L692 PolarHBondContact O-N 3.3Å; L689-L692 HydrophobicContact CD2-CD2 4.44Å; L689-L692 PolarHBondContact O-N 2.72Å; L692-T694 VanDerWaalsContact C-N 3.3Å; L692-T694 PolarHBondContact O-N 3Å; L692-I695 PolarHBondContact O-N 3.47Å; L692-N696 VanDerWaalsContact CD1-ND2 3.32Å; L692-N696 WeakPolarHBondContact CD1-ND2 3.44Å; L692-N696 WeakPolarHBondContact CG-ND2 3.28Å; L692-N696 WeakPolarHBondContact O-CB 3.48Å; L692-N696 PolarHBondContact O-N 2.87Å; L692-N696 PolarHBondContact O-ND2 3.13Å; L692-L716 HydrophobicContact CD1-CB 4.46Å; L692-L723 HydrophobicContact CD2-CD2 4.32Å; L692-F777 HydrophobicContact CB-CE2 4.09Å; L692-F777 HydrophobicContact CD1-CD2 4.4Å; L692-F777 HydrophobicContact CD1-CE2 4.41Å |
| 693 | G | 91.4 | Very high | 88.8 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72 | -16.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L689 K691 | L689-G693 PolarHBondContact O-N 3.13Å; K691-G693 VanDerWaalsContact C-N 3.34Å; K691-G693 PolarHBondContact O-N 3.02Å |
| 694 | T | 90.8 | Very high | 88.4 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.6 | -18.4 | 173.1 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | A690 K691 L692 R698 F781 L784 | A690-T694 WeakPolarHBondContact O-CB 3.29Å; A690-T694 PolarHBondContact O-N 2.75Å; A690-T694 PolarHBondContact O-OG1 3.31Å; K691-T694 WeakPolarHBondContact O-CA 3.33Å; K691-T694 WeakPolarHBondContact O-CB 3.47Å; K691-T694 PolarHBondContact O-N 3.21Å; L692-T694 VanDerWaalsContact C-N 3.3Å; L692-T694 PolarHBondContact O-N 3Å; T694-R698 PolarHBondContact O-NE 2.94Å; T694-R698 PolarHBondContact O-NH2 3.18Å; T694-F781 HydrophobicContact CG2-CE2 4.21Å; T694-L784 HydrophobicContact CG2-CD1 4.26Å; T694-L784 WeakPolarHBondContact O-CD1 3.43Å |
| 695 | I | 90.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -95.6 | -53.2 | 178.9 | -64.2 | 165.8 | 0 | 0 | 0 | 111.3 | K691 L692 W707 L716 F777 T780 F781 L784 | K691-I695 WeakPolarHBondContact O-CG1 3.49Å; K691-I695 PolarHBondContact O-N 3.4Å; L692-I695 PolarHBondContact O-N 3.47Å; I695-W707 HydrophobicContact CG2-CH2 4.36Å; I695-W707 HydrophobicContact CG2-CZ3 4.37Å; I695-L716 HydrophobicContact CD1-CD1 4.24Å; I695-L716 HydrophobicContact CG2-CD1 4.07Å; I695-F777 HydrophobicContact CD1-CD2 4.07Å; I695-F777 HydrophobicContact CD1-CE2 4.37Å; I695-T780 HydrophobicContact CB-CG2 4.45Å; I695-T780 HydrophobicContact CD1-CG2 4.15Å; I695-T780 HydrophobicContact CG1-CG2 4.05Å; I695-T780 HydrophobicContact CG2-CG2 3.59Å; I695-F781 HydrophobicContact CD1-CB 4.18Å; I695-F781 HydrophobicContact CD1-CD2 4.39Å; I695-F781 HydrophobicContact CG1-CD2 4.44Å; I695-L784 HydrophobicContact CG1-CD1 3.84Å |
| 696 | N | 87.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 11% | 0.107 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 140.3 | -167.7 | -71.5 | -21.1 | 0 | 0 | 0 | 113.5 | L692 R698 R720 | L692-N696 VanDerWaalsContact CD1-ND2 3.32Å; L692-N696 WeakPolarHBondContact CD1-ND2 3.44Å; L692-N696 WeakPolarHBondContact CG-ND2 3.28Å; L692-N696 WeakPolarHBondContact O-CB 3.48Å; L692-N696 PolarHBondContact O-N 2.87Å; L692-N696 PolarHBondContact O-ND2 3.13Å; N696-R698 PolarHBondContact O-N 3.11Å; N696-R698 VanDerWaalsContact O-N 3.15Å; N696-R720 WeakPolarHBondContact ND2-CB 3.39Å |
| 697 | E | 82.4 | Confident | 86.7 | Confident | 81 Ų | 81 | 67 Ų | 67 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 28.8 | 179.8 | -42.7 | -78.8 | 179.8 | 0 | 0 | 113.6 | P699 K717 R720 R760 | E697-P699 WeakPolarHBondContact O-CD 3.47Å; E697-K717 WeakPolarHBondContact OE1-CE 3.33Å; E697-K717 IonicContact OE1-NZ 3.79Å; E697-K717 PolarHBondContact OE1-NZ 3.31Å; E697-K717 WeakPolarHBondContact OE2-CE 3.3Å; E697-K717 IonicContact OE2-NZ 2.95Å; E697-K717 PolarHBondContact OE2-NZ 3.29Å; E697-R720 IonicContact OE1-CZ 3.06Å; E697-R720 IonicContact OE1-NH1 3.73Å; E697-R720 PolarHBondContact OE1-NH1 3.46Å; E697-R720 IonicContact OE1-NH2 2.75Å; E697-R720 PolarHBondContact OE1-NH2 3.43Å; E697-R760 IonicContact OE1-NH2 3.19Å; E697-R760 PolarHBondContact OE1-NH2 3.2Å |
| 698 | R | 82.7 | Confident | 86 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | trans | -61.1 | 119.3 | 172.6 | 173.4 | 172.9 | -70.1 | -113.4 | -0.7 | 109.3 | T694 N696 E700 W707 | T694-R698 PolarHBondContact O-NE 2.94Å; T694-R698 PolarHBondContact O-NH2 3.18Å; N696-R698 PolarHBondContact O-N 3.11Å; N696-R698 VanDerWaalsContact O-N 3.15Å; R698-E700 VanDerWaalsContact C-N 3.34Å; R698-E700 WeakPolarHBondContact CD-O 3.41Å; R698-E700 VanDerWaalsContact CG-O 3.28Å; R698-E700 WeakPolarHBondContact CG-O 3.48Å; R698-E700 PolarHBondContact O-N 3.02Å; R698-W707 HydrophobicContact CB-CE3 4.29Å; R698-W707 HydrophobicContact CB-CZ3 4.25Å; R698-W707 HydrophobicContact CG-CE3 4.48Å | ||
| 699 | P | 78.2 | Confident | 85.3 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -65.5 | -31.1 | -171.7 | -25.3 | 35.3 | 0 | 0 | 0 | 115.3 | E697 | E697-P699 WeakPolarHBondContact O-CD 3.47Š|
| 700 | E | 78.3 | Confident | 84.7 | Confident | 132 Ų | 132 | 63.7 Ų | 63.7 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | trans | -153.9 | 150.4 | 172.7 | 58.6 | 172.7 | 176.4 | 0 | 0 | 111.2 | R698 D704 | R698-E700 VanDerWaalsContact C-N 3.34Å; R698-E700 WeakPolarHBondContact CD-O 3.41Å; R698-E700 VanDerWaalsContact CG-O 3.28Å; R698-E700 WeakPolarHBondContact CG-O 3.48Å; R698-E700 PolarHBondContact O-N 3.02Å; E700-D704 WeakPolarHBondContact CA-O 3.46Å | ||
| 701 | F | 79.6 | Confident | 84.2 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -143.8 | 131.7 | 165.7 | -175.5 | -109.6 | 0 | 0 | 0 | 109.9 | K703 D704 W707 E783 L784 A787 | F701-K703 PolarHBondContact O-N 3.48Å; F701-D704 PolarHBondContact N-O 3.47Å; F701-D704 WeakPolarHBondContact O-CB 3.44Å; F701-D704 PolarHBondContact O-N 3.02Å; F701-W707 HydrophobicContact CB-CB 4.02Å; F701-W707 HydrophobicContact CB-CD2 3.79Å; F701-W707 HydrophobicContact CB-CE3 4.2Å; F701-W707 HydrophobicContact CB-CG 3.72Å; F701-W707 AromaticContact CD1-CD1 3.59Å; F701-W707 HydrophobicContact CD1-CD2 4.07Å; F701-W707 AromaticContact CD1-CE2 3.66Å; F701-W707 HydrophobicContact CD1-CG 4.02Å; F701-W707 HydrophobicContact CD1-CZ2 4.29Å; F701-W707 AromaticContact CD1-NE1 3.33Å; F701-W707 VanDerWaalsContact CD1-NE1 3.33Å; F701-W707 AromaticContact CE1-NE1 3.85Å; F701-W707 HydrophobicContact CG-CD2 4.16Å; F701-W707 HydrophobicContact CG-CG 4.28Å; F701-E783 HydrophobicContact CE1-CG 3.86Å; F701-E783 HydrophobicContact CZ-CG 4.12Å; F701-L784 HydrophobicContact CD2-CD2 3.61Å; F701-L784 HydrophobicContact CE2-CD2 3.45Å; F701-L784 VanDerWaalsContact CE2-CD2 3.45Å; F701-L784 HydrophobicContact CG-CD2 4.23Å; F701-L784 HydrophobicContact CZ-CD2 3.92Å; F701-A787 HydrophobicContact CE2-CB 3.66Å; F701-A787 HydrophobicContact CZ-CB 3.5Å; F701-A787 VanDerWaalsContact CZ-CB 3.5Å |
| 702 | Q | 79.4 | Confident | 83.9 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 29.1 | -176.7 | -65.6 | -173.5 | -30.1 | 0 | 0 | 115 | D704 | Q702-D704 VanDerWaalsContact C-N 3.32Š|
| 703 | K | 80 | Confident | 83.7 | Confident | 194 Ų | 194 | 66.4 Ų | 66.4 | 84% | 0.843 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 9.8 | -173.6 | -46 | 170.6 | -174.4 | 171.7 | 0 | 115.8 | F701 P705 | F701-K703 PolarHBondContact O-N 3.48Å; K703-P705 WeakPolarHBondContact O-CD 3.49Å |
| 704 | D | 82.3 | Confident | 83.6 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 114.2 | 165.4 | 179.9 | 14.7 | 0 | 0 | 0 | 110.2 | E700 F701 Q702 A706 W707 | E700-D704 WeakPolarHBondContact CA-O 3.46Å; F701-D704 PolarHBondContact N-O 3.47Å; F701-D704 WeakPolarHBondContact O-CB 3.44Å; F701-D704 PolarHBondContact O-N 3.02Å; Q702-D704 VanDerWaalsContact C-N 3.32Å; D704-A706 VanDerWaalsContact C-N 3.31Å; D704-A706 WeakPolarHBondContact OD1-CA 3.27Å; D704-A706 WeakPolarHBondContact OD1-CB 3.42Å; D704-A706 PolarHBondContact OD1-N 2.82Å; D704-W707 HydrophobicContact CB-CB 4.25Å; D704-W707 WeakPolarHBondContact OD2-CA 3.33Å; D704-W707 PolarHBondContact OD2-N 2.61Å |
| 705 | P | 81.3 | Confident | 83.6 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.8 | 174.1 | 35.1 | -36.1 | 0 | 0 | 0 | 113.4 | K703 | K703-P705 WeakPolarHBondContact O-CD 3.49Š|
| 706 | A | 83.9 | Confident | 83.8 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 5.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | D704 S708 E709 | D704-A706 VanDerWaalsContact C-N 3.31Å; D704-A706 WeakPolarHBondContact OD1-CA 3.27Å; D704-A706 WeakPolarHBondContact OD1-CB 3.42Å; D704-A706 PolarHBondContact OD1-N 2.82Å; A706-S708 VanDerWaalsContact C-N 3.28Å; A706-S708 PolarHBondContact O-N 2.85Å; A706-E709 WeakPolarHBondContact O-CA 3.45Å; A706-E709 WeakPolarHBondContact O-CB 3.18Å; A706-E709 PolarHBondContact O-N 3.09Å |
| 707 | W | 83.6 | Confident | 84 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 5% | 0.045 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -55.5 | -38.2 | -174.5 | 179.2 | 88.5 | 0 | 0 | 0 | 113.3 | I695 R698 F701 D704 E709 T710 R713 T780 E783 L784 | I695-W707 HydrophobicContact CG2-CH2 4.36Å; I695-W707 HydrophobicContact CG2-CZ3 4.37Å; R698-W707 HydrophobicContact CB-CE3 4.29Å; R698-W707 HydrophobicContact CB-CZ3 4.25Å; R698-W707 HydrophobicContact CG-CE3 4.48Å; F701-W707 HydrophobicContact CB-CB 4.02Å; F701-W707 HydrophobicContact CB-CD2 3.79Å; F701-W707 HydrophobicContact CB-CE3 4.2Å; F701-W707 HydrophobicContact CB-CG 3.72Å; F701-W707 AromaticContact CD1-CD1 3.59Å; F701-W707 HydrophobicContact CD1-CD2 4.07Å; F701-W707 AromaticContact CD1-CE2 3.66Å; F701-W707 HydrophobicContact CD1-CG 4.02Å; F701-W707 HydrophobicContact CD1-CZ2 4.29Å; F701-W707 AromaticContact CD1-NE1 3.33Å; F701-W707 VanDerWaalsContact CD1-NE1 3.33Å; F701-W707 AromaticContact CE1-NE1 3.85Å; F701-W707 HydrophobicContact CG-CD2 4.16Å; F701-W707 HydrophobicContact CG-CG 4.28Å; D704-W707 HydrophobicContact CB-CB 4.25Å; D704-W707 WeakPolarHBondContact OD2-CA 3.33Å; D704-W707 PolarHBondContact OD2-N 2.61Å; W707-E709 VanDerWaalsContact C-N 3.25Å; W707-E709 PolarHBondContact O-N 3.35Å; W707-T710 PolarHBondContact O-OG1 3.11Å; W707-R713 HydrophobicContact CD2-CG 4.48Å; W707-R713 HydrophobicContact CE3-CG 4.5Å; W707-R713 HydrophobicContact CH2-CG 4.24Å; W707-R713 HydrophobicContact CZ2-CG 4.23Å; W707-R713 HydrophobicContact CZ3-CG 4.38Å; W707-R713 WeakPolarHBondContact O-CD 3.37Å; W707-T780 HydrophobicContact CH2-CG2 3.44Å; W707-T780 VanDerWaalsContact CH2-CG2 3.44Å; W707-T780 HydrophobicContact CZ2-CG2 3.7Å; W707-T780 HydrophobicContact CZ3-CG2 4.44Å; W707-E783 WeakPolarHBondContact CZ2-OE2 3.28Å; W707-E783 PolarHBondContact NE1-OE1 3.04Å; W707-L784 HydrophobicContact CH2-CD1 3.84Å; W707-L784 HydrophobicContact CH2-CD2 3.55Å; W707-L784 HydrophobicContact CH2-CG 3.73Å; W707-L784 HydrophobicContact CZ2-CD2 3.8Å; W707-L784 HydrophobicContact CZ2-CG 4.11Å; W707-L784 HydrophobicContact CZ3-CD2 4.22Å |
| 708 | S | 80.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 62 Ų | 62 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -73.5 | -12.3 | 177.1 | 62.4 | 0 | 0 | 0 | 0 | 114.6 | A706 | A706-S708 VanDerWaalsContact C-N 3.28Å; A706-S708 PolarHBondContact O-N 2.85Å |
| 709 | E | 80.8 | Confident | 85.1 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -100.5 | 0.5 | -174.6 | -52.3 | -52.1 | 108.7 | 0 | 0 | 113.6 | A706 W707 Y714 K717 | A706-E709 WeakPolarHBondContact O-CA 3.45Å; A706-E709 WeakPolarHBondContact O-CB 3.18Å; A706-E709 PolarHBondContact O-N 3.09Å; W707-E709 VanDerWaalsContact C-N 3.25Å; W707-E709 PolarHBondContact O-N 3.35Å; E709-Y714 WeakPolarHBondContact O-CD2 3.31Å; E709-K717 IonicContact OE1-NZ 3.43Å; E709-K717 PolarHBondContact OE1-NZ 3.28Å; E709-K717 IonicContact OE2-NZ 3.94Å; E709-K717 PolarHBondContact OE2-NZ 3.16Å |
| 710 | T | 82.7 | Confident | 85.8 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -120.4 | 143.5 | -170.1 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | W707 D712 R713 Y714 | W707-T710 PolarHBondContact O-OG1 3.11Å; T710-D712 PolarHBondContact O-N 3.16Å; T710-R713 WeakPolarHBondContact O-CB 3.45Å; T710-R713 VanDerWaalsContact O-CD 3.3Å; T710-R713 WeakPolarHBondContact O-CD 3.36Å; T710-R713 PolarHBondContact O-N 2.88Å; T710-R713 VanDerWaalsContact O-N 3.13Å; T710-Y714 PolarHBondContact O-N 3.36Å |
| 711 | G | 85.7 | Confident | 86.5 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | 52.5 | -133.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | R713 Y714 L715 | G711-R713 PolarHBondContact O-N 2.87Å; G711-R713 VanDerWaalsContact O-N 3.13Å; G711-Y714 WeakPolarHBondContact O-CB 3.33Å; G711-Y714 PolarHBondContact O-N 3.46Å; G711-L715 PolarHBondContact O-N 3.43Å |
| 712 | D | 86.3 | Confident | 87.1 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -49.2 | -35.5 | 176.8 | -66.8 | 28.6 | 0 | 0 | 0 | 113.4 | T710 L715 L716 C776 | T710-D712 PolarHBondContact O-N 3.16Å; D712-L715 WeakPolarHBondContact O-CB 3.43Å; D712-L715 PolarHBondContact O-N 2.87Å; D712-L716 WeakPolarHBondContact O-CG 3.45Å; D712-L716 PolarHBondContact O-N 3.37Å; D712-C776 HydrophobicContact CB-CB 3.87Å |
| 713 | R | 89.5 | Confident | 87.8 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.5 | -35.5 | -179.9 | -55.5 | 96.6 | -168 | 157.6 | 2.4 | 111.6 | W707 T710 G711 L715 L716 K717 T780 E783 | W707-R713 HydrophobicContact CD2-CG 4.48Å; W707-R713 HydrophobicContact CE3-CG 4.5Å; W707-R713 HydrophobicContact CH2-CG 4.24Å; W707-R713 HydrophobicContact CZ2-CG 4.23Å; W707-R713 HydrophobicContact CZ3-CG 4.38Å; W707-R713 WeakPolarHBondContact O-CD 3.37Å; T710-R713 WeakPolarHBondContact O-CB 3.45Å; T710-R713 VanDerWaalsContact O-CD 3.3Å; T710-R713 WeakPolarHBondContact O-CD 3.36Å; T710-R713 PolarHBondContact O-N 2.88Å; T710-R713 VanDerWaalsContact O-N 3.13Å; G711-R713 PolarHBondContact O-N 2.87Å; G711-R713 VanDerWaalsContact O-N 3.13Å; R713-L715 PolarHBondContact O-N 2.98Å; R713-L716 PolarHBondContact O-N 2.74Å; R713-K717 PolarHBondContact O-N 2.68Å; R713-T780 HydrophobicContact CG-CG2 3.65Å; R713-E783 IonicContact CZ-OE2 2.68Å; R713-E783 IonicContact NE-OE2 3.44Å; R713-E783 PolarHBondContact NE-OE2 2.81Å; R713-E783 IonicContact NH2-OE1 2.77Å; R713-E783 IonicContact NH2-OE2 3.29Å; R713-E783 PolarHBondContact NH2-OE2 2.86Å |
| 714 | Y | 89.6 | Confident | 88.4 | Confident | 78 Ų | 78 | 40.9 Ų | 40.9 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 173.2 | -171 | -104.8 | 0 | 0 | 0 | 112.1 | E709 T710 G711 L716 K717 L718 | E709-Y714 WeakPolarHBondContact O-CD2 3.31Å; T710-Y714 PolarHBondContact O-N 3.36Å; G711-Y714 WeakPolarHBondContact O-CB 3.33Å; G711-Y714 PolarHBondContact O-N 3.46Å; Y714-L716 VanDerWaalsContact C-N 3.32Å; Y714-L716 PolarHBondContact O-N 3.05Å; Y714-K717 WeakPolarHBondContact O-CB 3.44Å; Y714-K717 PolarHBondContact O-N 3.08Å; Y714-L718 HydrophobicContact CD1-CD1 4.15Å; Y714-L718 HydrophobicContact CD1-CG 4.28Å; Y714-L718 HydrophobicContact CE1-CD1 3.62Å; Y714-L718 HydrophobicContact CE1-CD2 4.3Å; Y714-L718 HydrophobicContact CE1-CG 3.95Å; Y714-L718 WeakPolarHBondContact O-CG 3.46Å; Y714-L718 PolarHBondContact O-N 2.81Å |
| 715 | L | 91.9 | Very high | 89 | Confident | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 173.8 | -67.4 | 176.7 | 0 | 0 | 0 | 112 | G711 D712 R713 L718 F719 L766 V768 L773 | G711-L715 PolarHBondContact O-N 3.43Å; D712-L715 WeakPolarHBondContact O-CB 3.43Å; D712-L715 PolarHBondContact O-N 2.87Å; R713-L715 PolarHBondContact O-N 2.98Å; L715-L718 PolarHBondContact O-N 3.05Å; L715-F719 WeakPolarHBondContact O-CB 3.43Å; L715-F719 PolarHBondContact O-N 3.23Å; L715-L766 HydrophobicContact CD2-CD1 3.7Å; L715-V768 HydrophobicContact CD2-CG1 4.14Å; L715-L773 HydrophobicContact CB-CD2 4.05Å |
| 716 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.5 | -34.2 | 175.6 | -60.6 | 172.5 | 0 | 0 | 0 | 112.5 | L692 I695 D712 R713 Y714 F719 R720 C776 F777 T780 | L692-L716 HydrophobicContact CD1-CB 4.46Å; I695-L716 HydrophobicContact CD1-CD1 4.24Å; I695-L716 HydrophobicContact CG2-CD1 4.07Å; D712-L716 WeakPolarHBondContact O-CG 3.45Å; D712-L716 PolarHBondContact O-N 3.37Å; R713-L716 PolarHBondContact O-N 2.74Å; Y714-L716 VanDerWaalsContact C-N 3.32Å; Y714-L716 PolarHBondContact O-N 3.05Å; L716-F719 PolarHBondContact O-N 2.87Å; L716-R720 PolarHBondContact O-N 2.84Å; L716-C776 HydrophobicContact CD2-CB 4.21Å; L716-C776 HydrophobicContact CG-CB 4.29Å; L716-F777 HydrophobicContact CD1-CB 4.44Å; L716-F777 HydrophobicContact CD2-CB 3.79Å; L716-F777 HydrophobicContact CD2-CD2 4.43Å; L716-T780 HydrophobicContact CD1-CG2 4.44Å |
| 717 | K | 92 | Very high | 89.8 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 172.2 | -173.4 | 172.5 | -172.2 | 155.8 | 0 | 111.8 | E697 E709 R713 Y714 R720 D721 | E697-K717 WeakPolarHBondContact OE1-CE 3.33Å; E697-K717 IonicContact OE1-NZ 3.79Å; E697-K717 PolarHBondContact OE1-NZ 3.31Å; E697-K717 WeakPolarHBondContact OE2-CE 3.3Å; E697-K717 IonicContact OE2-NZ 2.95Å; E697-K717 PolarHBondContact OE2-NZ 3.29Å; E709-K717 IonicContact OE1-NZ 3.43Å; E709-K717 PolarHBondContact OE1-NZ 3.28Å; E709-K717 IonicContact OE2-NZ 3.94Å; E709-K717 PolarHBondContact OE2-NZ 3.16Å; R713-K717 PolarHBondContact O-N 2.68Å; Y714-K717 WeakPolarHBondContact O-CB 3.44Å; Y714-K717 PolarHBondContact O-N 3.08Å; K717-R720 PolarHBondContact O-N 3.3Å; K717-D721 PolarHBondContact O-N 2.81Å; K717-D721 VanDerWaalsContact O-N 3.14Å |
| 718 | L | 92.9 | Very high | 90.1 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.5 | -36.9 | 174.9 | -62.7 | -171.1 | 0 | 0 | 0 | 112.3 | Y714 L715 R720 D721 H722 L757 L766 | Y714-L718 HydrophobicContact CD1-CD1 4.15Å; Y714-L718 HydrophobicContact CD1-CG 4.28Å; Y714-L718 HydrophobicContact CE1-CD1 3.62Å; Y714-L718 HydrophobicContact CE1-CD2 4.3Å; Y714-L718 HydrophobicContact CE1-CG 3.95Å; Y714-L718 WeakPolarHBondContact O-CG 3.46Å; Y714-L718 PolarHBondContact O-N 2.81Å; L715-L718 PolarHBondContact O-N 3.05Å; L718-R720 VanDerWaalsContact C-N 3.35Å; L718-R720 PolarHBondContact O-N 3.21Å; L718-D721 PolarHBondContact O-N 3.49Å; L718-H722 PolarHBondContact O-N 2.94Å; L718-L757 HydrophobicContact CB-CB 4.02Å; L718-L757 HydrophobicContact CB-CD1 4.17Å; L718-L757 HydrophobicContact CD1-CB 4.25Å; L718-L766 HydrophobicContact CD1-CD1 4.13Å |
| 719 | F | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 174.4 | 176.8 | -105.1 | 0 | 0 | 0 | 112.2 | L715 L716 D721 H722 L723 C743 L747 I755 L757 Y770 L773 | L715-F719 WeakPolarHBondContact O-CB 3.43Å; L715-F719 PolarHBondContact O-N 3.23Å; L716-F719 PolarHBondContact O-N 2.87Å; F719-D721 VanDerWaalsContact C-N 3.33Å; F719-D721 PolarHBondContact O-N 3Å; F719-H722 PolarHBondContact O-N 3.18Å; F719-L723 HydrophobicContact CE1-CD2 4.37Å; F719-L723 HydrophobicContact CZ-CD1 4.39Å; F719-L723 WeakPolarHBondContact O-CB 3.45Å; F719-L723 PolarHBondContact O-N 3.49Å; F719-C743 HydrophobicContact CE2-CB 4.4Å; F719-C743 HydrophobicContact CZ-CB 4.23Å; F719-L747 HydrophobicContact CD1-CD2 4.4Å; F719-L747 HydrophobicContact CE1-CD2 3.72Å; F719-L747 HydrophobicContact CZ-CB 4.36Å; F719-L747 HydrophobicContact CZ-CD2 4.24Å; F719-I755 HydrophobicContact CD2-CD1 3.8Å; F719-I755 HydrophobicContact CE2-CD1 4.01Å; F719-L757 HydrophobicContact CB-CD1 4.27Å; F719-Y770 HydrophobicContact CE2-CD1 4.37Å; F719-Y770 AromaticContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CZ-CE1 4.26Å; F719-L773 HydrophobicContact CB-CD1 4.35Å; F719-L773 HydrophobicContact CB-CD2 4.16Å; F719-L773 HydrophobicContact CD2-CD1 3.69Å; F719-L773 HydrophobicContact CE2-CD1 4.31Å; F719-L773 HydrophobicContact CG-CD1 4.13Å |
| 720 | R | 94.1 | Very high | 91 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 172.1 | -178.3 | -149.6 | 59.2 | -160.8 | -23.7 | 111.4 | N696 E697 L716 K717 L718 H722 L723 F724 | N696-R720 WeakPolarHBondContact ND2-CB 3.39Å; E697-R720 IonicContact OE1-CZ 3.06Å; E697-R720 IonicContact OE1-NH1 3.73Å; E697-R720 PolarHBondContact OE1-NH1 3.46Å; E697-R720 IonicContact OE1-NH2 2.75Å; E697-R720 PolarHBondContact OE1-NH2 3.43Å; L716-R720 PolarHBondContact O-N 2.84Å; K717-R720 PolarHBondContact O-N 3.3Å; L718-R720 VanDerWaalsContact C-N 3.35Å; L718-R720 PolarHBondContact O-N 3.21Å; R720-H722 VanDerWaalsContact C-N 3.34Å; R720-H722 PolarHBondContact O-N 3.35Å; R720-L723 WeakPolarHBondContact O-CB 3.41Å; R720-L723 PolarHBondContact O-N 3.47Å; R720-L723 VanDerWaalsContact O-N 3.08Å; R720-F724 HydrophobicContact CG-CD2 3.68Å; R720-F724 HydrophobicContact CG-CE2 4.21Å; R720-F724 PolarHBondContact O-N 3.15Å |
| 721 | D | 92.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 179.6 | -69.2 | 6 | 0 | 0 | 0 | 110.6 | K717 L718 F719 L723 H725 R760 | K717-D721 PolarHBondContact O-N 2.81Å; K717-D721 VanDerWaalsContact O-N 3.14Å; L718-D721 PolarHBondContact O-N 3.49Å; F719-D721 VanDerWaalsContact C-N 3.33Å; F719-D721 PolarHBondContact O-N 3Å; D721-L723 VanDerWaalsContact C-N 3.29Å; D721-L723 PolarHBondContact O-N 2.92Å; D721-H725 WeakPolarHBondContact O-CA 3.49Å; D721-H725 WeakPolarHBondContact O-CB 3.33Å; D721-H725 PolarHBondContact O-N 3.45Å; D721-H725 IonicContact OD1-CE1 2.66Å; D721-H725 PolarHBondContact OD1-CE1 3.25Å; D721-H725 IonicContact OD1-ND1 3.14Å; D721-H725 PolarHBondContact OD1-ND1 2.95Å; D721-H725 IonicContact OD2-ND1 2.64Å; D721-R760 IonicContact OD1-NH2 3.93Å; D721-R760 PolarHBondContact OD1-NH2 3.44Å; D721-R760 IonicContact OD2-CZ 2.84Å; D721-R760 VanDerWaalsContact OD2-CZ 3.29Å; D721-R760 IonicContact OD2-NE 2.67Å; D721-R760 PolarHBondContact OD2-NE 2.68Å; D721-R760 IonicContact OD2-NH2 2.67Å; D721-R760 PolarHBondContact OD2-NH2 3.48Å |
| 722 | H | 92.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.269 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -28.8 | 169.8 | 176.7 | 84.3 | 0 | 0 | 0 | 114.3 | L718 F719 R720 H739 L757 | L718-H722 PolarHBondContact O-N 2.94Å; F719-H722 PolarHBondContact O-N 3.18Å; R720-H722 VanDerWaalsContact C-N 3.34Å; R720-H722 PolarHBondContact O-N 3.35Å; H722-H739 AromaticContact CD2-NE2 3.97Å; H722-H739 AromaticContact CE1-CE1 4Å; H722-H739 AromaticContact NE2-CE1 3.54Å; H722-H739 AromaticContact NE2-NE2 3.81Å; H722-H739 PolarHBondContact O-NE2 3.21Å; H722-L757 HydrophobicContact CB-CD2 3.6Å |
| 723 | L | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -80.8 | -48.8 | -178.9 | -171.2 | 69.9 | 0 | 0 | 0 | 112.3 | L689 L692 F719 R720 D721 Q726 I740 C743 L744 | L689-L723 HydrophobicContact CD2-CD2 4.24Å; L692-L723 HydrophobicContact CD2-CD2 4.32Å; F719-L723 HydrophobicContact CE1-CD2 4.37Å; F719-L723 HydrophobicContact CZ-CD1 4.39Å; F719-L723 WeakPolarHBondContact O-CB 3.45Å; F719-L723 PolarHBondContact O-N 3.49Å; R720-L723 WeakPolarHBondContact O-CB 3.41Å; R720-L723 PolarHBondContact O-N 3.47Å; R720-L723 VanDerWaalsContact O-N 3.08Å; D721-L723 VanDerWaalsContact C-N 3.29Å; D721-L723 PolarHBondContact O-N 2.92Å; L723-Q726 PolarHBondContact O-NE2 2.75Å; L723-I740 HydrophobicContact CD1-CB 4.27Å; L723-I740 HydrophobicContact CD1-CG1 4.32Å; L723-I740 HydrophobicContact CD1-CG2 4.18Å; L723-I740 HydrophobicContact CG-CG1 4.36Å; L723-I740 HydrophobicContact CG-CG2 4.33Å; L723-I740 WeakPolarHBondContact O-CG1 3.33Å; L723-C743 HydrophobicContact CD1-CB 3.56Å; L723-L744 HydrophobicContact CD1-CG 4.18Å; L723-L744 HydrophobicContact CD2-CD1 4.44Å; L723-L744 HydrophobicContact CD2-CD2 3.82Å; L723-L744 HydrophobicContact CD2-CG 4.08Å |
| 724 | F | 94 | Very high | 91.8 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 39% | 0.386 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -111 | -23.4 | -168.1 | -65 | -52 | 0 | 0 | 0 | 115.2 | L689 R720 Q726 I740 | L689-F724 HydrophobicContact CD1-CZ 4.35Å; L689-F724 HydrophobicContact CD2-CE2 4.22Å; L689-F724 HydrophobicContact CD2-CZ 3.6Å; R720-F724 HydrophobicContact CG-CD2 3.68Å; R720-F724 HydrophobicContact CG-CE2 4.21Å; R720-F724 PolarHBondContact O-N 3.15Å; F724-Q726 VanDerWaalsContact C-N 3.31Å; F724-Q726 PolarHBondContact O-N 3.37Å; F724-I740 HydrophobicContact CD1-CD1 3.9Å; F724-I740 HydrophobicContact CD1-CG1 4.29Å; F724-I740 HydrophobicContact CE1-CD1 4.14Å; F724-I740 HydrophobicContact CE1-CG1 4.44Å; F724-I740 HydrophobicContact CE1-CG2 4.06Å |
| 725 | H | 93.6 | Very high | 91.8 | Very high | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | trans | -100.7 | 44.2 | -178.2 | -51.4 | 147.9 | 0 | 0 | 0 | 110.9 | D721 | D721-H725 WeakPolarHBondContact O-CA 3.49Å; D721-H725 WeakPolarHBondContact O-CB 3.33Å; D721-H725 PolarHBondContact O-N 3.45Å; D721-H725 IonicContact OD1-CE1 2.66Å; D721-H725 PolarHBondContact OD1-CE1 3.25Å; D721-H725 IonicContact OD1-ND1 3.14Å; D721-H725 PolarHBondContact OD1-ND1 2.95Å; D721-H725 IonicContact OD2-ND1 2.64Å | ||
| 726 | Q | 91.2 | Very high | 91.6 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | trans | -63.5 | 140.2 | 175.8 | -58.1 | 166.6 | 50.8 | 0 | 0 | 109.8 | L723 F724 W734 D736 H739 | L723-Q726 PolarHBondContact O-NE2 2.75Å; F724-Q726 VanDerWaalsContact C-N 3.31Å; F724-Q726 PolarHBondContact O-N 3.37Å; Q726-W734 HydrophobicContact CB-CB 4.18Å; Q726-W734 PolarHBondContact O-N 3.43Å; Q726-D736 PolarHBondContact NE2-O 2.88Å; Q726-D736 VanDerWaalsContact NE2-O 3.17Å; Q726-H739 VanDerWaalsContact CD-CD2 3.42Å; Q726-H739 PolarHBondContact NE2-CD2 3.47Å; Q726-H739 VanDerWaalsContact NE2-CD2 3.34Å | ||
| 727 | V | 91.3 | Very high | 91.3 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | B | Isolated β-bridge | trans | -134.8 | 155.7 | 177.4 | -67 | 0 | 0 | 0 | 0 | 111 | T732 | V727-T732 CarbonylContact C-O 3.54Å; V727-T732 VanDerWaalsContact CA-O 3.28Å; V727-T732 WeakPolarHBondContact CA-O 3.39Å |
| 728 | T | 90.7 | Very high | 91.2 | Very high | 41 Ų | 41 | 71.1 Ų | 71.1 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | trans | -81 | 170.5 | 171.2 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | A730 G731 T732 W734 | T728-A730 PolarHBondContact O-N 3.39Å; T728-A730 VanDerWaalsContact O-N 3.09Å; T728-A730 PolarHBondContact OG1-N 2.93Å; T728-G731 PolarHBondContact O-N 3.5Å; T728-T732 WeakPolarHBondContact CG2-OG1 3.32Å; T728-T732 PolarHBondContact N-O 3.14Å; T728-T732 PolarHBondContact OG1-N 3.08Å; T728-T732 PolarHBondContact OG1-OG1 3.49Å; T728-W734 HydrophobicContact CG2-CB 4.15Å; T728-W734 HydrophobicContact CG2-CD2 4.28Å; T728-W734 HydrophobicContact CG2-CE3 3.59Å; T728-W734 HydrophobicContact CG2-CZ3 4.34Å | ||
| 729 | E | 88.9 | Confident | 91.1 | Very high | 213 Ų | 213 | 73.2 Ų | 73.2 | 100% | 0.995 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.2 | 169.2 | -60.4 | 179.2 | 170.9 | 0 | 0 | 113.4 | G731 | E729-G731 VanDerWaalsContact C-N 3.33Š|
| 730 | A | 90.6 | Very high | 91 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 69% | 0.686 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T728 T732 | T728-A730 PolarHBondContact O-N 3.39Å; T728-A730 VanDerWaalsContact O-N 3.09Å; T728-A730 PolarHBondContact OG1-N 2.93Å; A730-T732 PolarHBondContact O-N 2.92Å |
| 731 | G | 87.4 | Confident | 90.9 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 70.2 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T728 E729 | T728-G731 PolarHBondContact O-N 3.5Å; E729-G731 VanDerWaalsContact C-N 3.33Å |
| 732 | T | 91.5 | Very high | 90.9 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | trans | -78 | 142.6 | 177.3 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | V727 T728 A730 W734 | V727-T732 CarbonylContact C-O 3.54Å; V727-T732 VanDerWaalsContact CA-O 3.28Å; V727-T732 WeakPolarHBondContact CA-O 3.39Å; T728-T732 WeakPolarHBondContact CG2-OG1 3.32Å; T728-T732 PolarHBondContact N-O 3.14Å; T728-T732 PolarHBondContact OG1-N 3.08Å; T728-T732 PolarHBondContact OG1-OG1 3.49Å; A730-T732 PolarHBondContact O-N 2.92Å; T732-W734 PolarHBondContact O-N 2.93Å | ||
| 733 | P | 91.8 | Very high | 91.1 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 73% | 0.734 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -56.7 | 133.2 | 174.8 | -25.8 | 34.9 | 0 | 0 | 0 | 112 | ||
| 734 | W | 89.9 | Confident | 91.2 | Very high | 145 Ų | 145 | 72 Ų | 72 | 55% | 0.549 | 40% | 0.401 | S | S | . | . | trans | -114.6 | 142.5 | 176.5 | -177.5 | -96.7 | 0 | 0 | 0 | 109.1 | Q726 T728 T732 | Q726-W734 HydrophobicContact CB-CB 4.18Å; Q726-W734 PolarHBondContact O-N 3.43Å; T728-W734 HydrophobicContact CG2-CB 4.15Å; T728-W734 HydrophobicContact CG2-CD2 4.28Å; T728-W734 HydrophobicContact CG2-CE3 3.59Å; T728-W734 HydrophobicContact CG2-CZ3 4.34Å; T732-W734 PolarHBondContact O-N 2.93Å | ||
| 735 | I | 88.9 | Confident | 91.2 | Very high | 154 Ų | 154 | 69.7 Ų | 69.7 | 79% | 0.79 | 39% | 0.393 | S | S | * | . | trans | -131.4 | 90.1 | -179.8 | -55 | 179 | 0 | 0 | 0 | 107.8 | ||||
| 736 | D | 87.7 | Confident | 91.3 | Very high | 57 Ų | 57 | 67 Ų | 67 | 31% | 0.305 | 38% | 0.379 | S | S | . | . | trans | -106.5 | 120.9 | 165.7 | 177.7 | 34 | 0 | 0 | 0 | 111 | Q726 S738 H739 I740 | Q726-D736 PolarHBondContact NE2-O 2.88Å; Q726-D736 VanDerWaalsContact NE2-O 3.17Å; D736-S738 VanDerWaalsContact OD1-CB 3.22Å; D736-S738 WeakPolarHBondContact OD1-CB 3.44Å; D736-S738 PolarHBondContact OD1-N 3.36Å; D736-S738 WeakPolarHBondContact OD2-CB 3.4Å; D736-H739 HydrophobicContact CB-CB 4.3Å; D736-H739 WeakPolarHBondContact OD2-CB 3.4Å; D736-H739 PolarHBondContact OD2-N 3.35Å; D736-I740 WeakPolarHBondContact O-CG1 3.49Å | ||
| 737 | L | 88.1 | Confident | 91.5 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -77.1 | -25.2 | 174.5 | -174.2 | 63.2 | 0 | 0 | 0 | 111.9 | F350 I740 V741 | F350-L737 HydrophobicContact CE2-CD2 3.61Å; F350-L737 HydrophobicContact CZ-CD2 3.84Å; L737-I740 HydrophobicContact CD1-CB 4.31Å; L737-I740 HydrophobicContact CD1-CG2 4.4Å; L737-I740 PolarHBondContact O-N 2.96Å; L737-V741 HydrophobicContact CD1-CG2 4.18Å; L737-V741 HydrophobicContact CG-CG2 4.11Å; L737-V741 WeakPolarHBondContact O-CB 3.37Å; L737-V741 WeakPolarHBondContact O-CG2 3.44Å; L737-V741 PolarHBondContact O-N 3.06Å |
| 738 | S | 88.6 | Confident | 91.7 | Very high | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 175.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | D736 I740 S742 | D736-S738 VanDerWaalsContact OD1-CB 3.22Å; D736-S738 WeakPolarHBondContact OD1-CB 3.44Å; D736-S738 PolarHBondContact OD1-N 3.36Å; D736-S738 WeakPolarHBondContact OD2-CB 3.4Å; S738-I740 PolarHBondContact O-N 3.3Å; S738-S742 WeakPolarHBondContact O-CB 3.32Å; S738-S742 PolarHBondContact O-N 3.14Å |
| 739 | H | 91.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -53.1 | -50.1 | 168.1 | -179.5 | 76.6 | 0 | 0 | 0 | 112.2 | H722 Q726 D736 S742 C743 | H722-H739 AromaticContact CD2-NE2 3.97Å; H722-H739 AromaticContact CE1-CE1 4Å; H722-H739 AromaticContact NE2-CE1 3.54Å; H722-H739 AromaticContact NE2-NE2 3.81Å; H722-H739 PolarHBondContact O-NE2 3.21Å; Q726-H739 VanDerWaalsContact CD-CD2 3.42Å; Q726-H739 PolarHBondContact NE2-CD2 3.47Å; Q726-H739 VanDerWaalsContact NE2-CD2 3.34Å; D736-H739 HydrophobicContact CB-CB 4.3Å; D736-H739 WeakPolarHBondContact OD2-CB 3.4Å; D736-H739 PolarHBondContact OD2-N 3.35Å; H739-S742 PolarHBondContact O-N 2.86Å; H739-C743 PolarHBondContact CE1-SG 3.38Å; H739-C743 WeakPolarHBondContact O-CB 3.34Å; H739-C743 PolarHBondContact O-N 3.13Å; H739-C743 PolarHBondContact O-SG 3.3Å |
| 740 | I | 93.2 | Very high | 92.2 | Very high | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -51.4 | -178.2 | -67.2 | 165.8 | 0 | 0 | 0 | 111.5 | L723 F724 D736 L737 S738 S742 C743 L744 | L723-I740 HydrophobicContact CD1-CB 4.27Å; L723-I740 HydrophobicContact CD1-CG1 4.32Å; L723-I740 HydrophobicContact CD1-CG2 4.18Å; L723-I740 HydrophobicContact CG-CG1 4.36Å; L723-I740 HydrophobicContact CG-CG2 4.33Å; L723-I740 WeakPolarHBondContact O-CG1 3.33Å; F724-I740 HydrophobicContact CD1-CD1 3.9Å; F724-I740 HydrophobicContact CD1-CG1 4.29Å; F724-I740 HydrophobicContact CE1-CD1 4.14Å; F724-I740 HydrophobicContact CE1-CG1 4.44Å; F724-I740 HydrophobicContact CE1-CG2 4.06Å; D736-I740 WeakPolarHBondContact O-CG1 3.49Å; L737-I740 HydrophobicContact CD1-CB 4.31Å; L737-I740 HydrophobicContact CD1-CG2 4.4Å; L737-I740 PolarHBondContact O-N 2.96Å; S738-I740 PolarHBondContact O-N 3.3Å; I740-S742 PolarHBondContact O-N 3Å; I740-C743 PolarHBondContact O-N 3.39Å; I740-L744 HydrophobicContact CG2-CD1 3.78Å; I740-L744 WeakPolarHBondContact O-CB 3.45Å; I740-L744 VanDerWaalsContact O-CG 3.27Å; I740-L744 WeakPolarHBondContact O-CG 3.43Å; I740-L744 PolarHBondContact O-N 2.81Å |
| 741 | V | 92.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 179.7 | 170.9 | 0 | 0 | 0 | 0 | 111 | F349 L685 L737 N745 | F349-V741 HydrophobicContact CD1-CB 4.29Å; F349-V741 HydrophobicContact CD1-CG1 3.76Å; F349-V741 HydrophobicContact CD1-CG2 4.39Å; F349-V741 HydrophobicContact CE1-CB 4.24Å; F349-V741 HydrophobicContact CE1-CG1 3.88Å; F349-V741 HydrophobicContact CG-CG1 4.46Å; F349-V741 HydrophobicContact CG-CG2 4.31Å; L685-V741 HydrophobicContact CD1-CG1 4.03Å; L685-V741 HydrophobicContact CD1-CG2 4.26Å; L737-V741 HydrophobicContact CD1-CG2 4.18Å; L737-V741 HydrophobicContact CG-CG2 4.11Å; L737-V741 WeakPolarHBondContact O-CB 3.37Å; L737-V741 WeakPolarHBondContact O-CG2 3.44Å; L737-V741 PolarHBondContact O-N 3.06Å; V741-N745 VanDerWaalsContact O-CB 3.29Å; V741-N745 WeakPolarHBondContact O-CB 3.42Å; V741-N745 VanDerWaalsContact O-CG 3.28Å; V741-N745 PolarHBondContact O-N 3.47Å; V741-N745 PolarHBondContact O-ND2 2.84Å |
| 742 | S | 92.3 | Very high | 92.8 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -51.9 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | S738 H739 I740 L744 N745 K746 | S738-S742 WeakPolarHBondContact O-CB 3.32Å; S738-S742 PolarHBondContact O-N 3.14Å; H739-S742 PolarHBondContact O-N 2.86Å; I740-S742 PolarHBondContact O-N 3Å; S742-L744 PolarHBondContact O-N 3.15Å; S742-N745 PolarHBondContact O-N 3.26Å; S742-K746 VanDerWaalsContact O-CG 3.31Å; S742-K746 WeakPolarHBondContact O-CG 3.33Å; S742-K746 PolarHBondContact O-N 2.84Å; S742-K746 WeakPolarHBondContact OG-CE 3.4Å |
| 743 | C | 95.4 | Very high | 93 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | -179.4 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | F719 L723 H739 I740 K746 L747 Y770 | F719-C743 HydrophobicContact CE2-CB 4.4Å; F719-C743 HydrophobicContact CZ-CB 4.23Å; L723-C743 HydrophobicContact CD1-CB 3.56Å; H739-C743 PolarHBondContact CE1-SG 3.38Å; H739-C743 WeakPolarHBondContact O-CB 3.34Å; H739-C743 PolarHBondContact O-N 3.13Å; H739-C743 PolarHBondContact O-SG 3.3Å; I740-C743 PolarHBondContact O-N 3.39Å; C743-K746 PolarHBondContact O-N 3.05Å; C743-L747 WeakPolarHBondContact O-CB 3.35Å; C743-L747 PolarHBondContact O-N 2.84Å; C743-Y770 HydrophobicContact CB-CE1 4.24Å; C743-Y770 VanDerWaalsContact O-CE1 3.28Å; C743-Y770 WeakPolarHBondContact O-CE1 3.46Å; C743-Y770 PolarHBondContact SG-OH 2.92Å |
| 744 | L | 95.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 176.2 | -70.5 | 168.6 | 0 | 0 | 0 | 112.6 | L685 L689 L723 I740 S742 K746 L747 D748 | L685-L744 HydrophobicContact CD2-CB 3.38Å; L685-L744 HydrophobicContact CD2-CD1 4.07Å; L685-L744 HydrophobicContact CD2-CG 4.37Å; L689-L744 HydrophobicContact CD1-CD1 4.1Å; L689-L744 HydrophobicContact CD2-CD1 3.73Å; L689-L744 HydrophobicContact CD2-CD2 3.75Å; L689-L744 HydrophobicContact CD2-CG 4.37Å; L689-L744 HydrophobicContact CG-CD1 3.92Å; L689-L744 HydrophobicContact CG-CD2 4.48Å; L723-L744 HydrophobicContact CD1-CG 4.18Å; L723-L744 HydrophobicContact CD2-CD1 4.44Å; L723-L744 HydrophobicContact CD2-CD2 3.82Å; L723-L744 HydrophobicContact CD2-CG 4.08Å; I740-L744 HydrophobicContact CG2-CD1 3.78Å; I740-L744 WeakPolarHBondContact O-CB 3.45Å; I740-L744 VanDerWaalsContact O-CG 3.27Å; I740-L744 WeakPolarHBondContact O-CG 3.43Å; I740-L744 PolarHBondContact O-N 2.81Å; S742-L744 PolarHBondContact O-N 3.15Å; L744-K746 VanDerWaalsContact C-N 3.34Å; L744-L747 PolarHBondContact O-N 2.79Å; L744-D748 WeakPolarHBondContact O-CB 3.49Å; L744-D748 PolarHBondContact O-N 3.36Å |
| 745 | N | 94.1 | Very high | 93.4 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 173.9 | -79.8 | -31.9 | 0 | 0 | 0 | 111.8 | R684 V741 S742 A749 | R684-N745 PolarHBondContact NH2-OD1 3.14Å; V741-N745 VanDerWaalsContact O-CB 3.29Å; V741-N745 WeakPolarHBondContact O-CB 3.42Å; V741-N745 VanDerWaalsContact O-CG 3.28Å; V741-N745 PolarHBondContact O-N 3.47Å; V741-N745 PolarHBondContact O-ND2 2.84Å; S742-N745 PolarHBondContact O-N 3.26Å; N745-A749 WeakPolarHBondContact O-CB 3.03Å; N745-A749 PolarHBondContact O-N 3.12Å |
| 746 | K | 95.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 47 Ų | 47 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 174.6 | -69.2 | 176.6 | -170.7 | -164 | 0 | 112.7 | S742 C743 L744 G750 V751 E753 Y770 | S742-K746 VanDerWaalsContact O-CG 3.31Å; S742-K746 WeakPolarHBondContact O-CG 3.33Å; S742-K746 PolarHBondContact O-N 2.84Å; S742-K746 WeakPolarHBondContact OG-CE 3.4Å; C743-K746 PolarHBondContact O-N 3.05Å; L744-K746 VanDerWaalsContact C-N 3.34Å; K746-G750 PolarHBondContact O-N 2.87Å; K746-V751 HydrophobicContact CB-CB 4.48Å; K746-V751 HydrophobicContact CB-CG2 4.09Å; K746-V751 HydrophobicContact CG-CG2 4.22Å; K746-V751 PolarHBondContact O-N 3.26Å; K746-V751 VanDerWaalsContact O-N 3.14Å; K746-E753 WeakPolarHBondContact CE-OE2 3.08Å; K746-E753 IonicContact NZ-OE1 3.75Å; K746-E753 PolarHBondContact NZ-OE1 3.07Å; K746-E753 IonicContact NZ-OE2 3.48Å; K746-E753 PolarHBondContact NZ-OE2 2.96Å; K746-Y770 HydrophobicContact CB-CD1 3.68Å; K746-Y770 HydrophobicContact CB-CD2 3.79Å; K746-Y770 HydrophobicContact CB-CE1 3.67Å; K746-Y770 HydrophobicContact CB-CE2 3.8Å; K746-Y770 HydrophobicContact CB-CG 3.72Å; K746-Y770 HydrophobicContact CD-CD2 4.22Å; K746-Y770 HydrophobicContact CD-CE1 4.5Å; K746-Y770 HydrophobicContact CD-CE2 3.57Å; K746-Y770 HydrophobicContact CG-CE2 4.32Å; K746-Y770 WeakPolarHBondContact O-CB 3.36Å |
| 747 | L | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 172.9 | -179.9 | 67.3 | 0 | 0 | 0 | 111.2 | F719 C743 L744 A749 G750 Y770 L773 K774 | F719-L747 HydrophobicContact CD1-CD2 4.4Å; F719-L747 HydrophobicContact CE1-CD2 3.72Å; F719-L747 HydrophobicContact CZ-CB 4.36Å; F719-L747 HydrophobicContact CZ-CD2 4.24Å; C743-L747 WeakPolarHBondContact O-CB 3.35Å; C743-L747 PolarHBondContact O-N 2.84Å; L744-L747 PolarHBondContact O-N 2.79Å; L747-A749 PolarHBondContact O-N 3.12Å; L747-G750 PolarHBondContact O-N 2.66Å; L747-G750 VanDerWaalsContact O-N 3.08Å; L747-Y770 HydrophobicContact CB-CD1 4.08Å; L747-L773 HydrophobicContact CD1-CB 3.68Å; L747-K774 HydrophobicContact CD1-CB 4.27Å; L747-K774 WeakPolarHBondContact O-CD 3.44Å |
| 748 | D | 94.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | -179.5 | -171.3 | 71.8 | 0 | 0 | 0 | 112.6 | R684 L688 L744 G750 K774 | R684-D748 VanDerWaalsContact CD-OD2 3.25Å; R684-D748 WeakPolarHBondContact CD-OD2 3.49Å; R684-D748 IonicContact CZ-OD2 2.74Å; R684-D748 IonicContact NE-OD2 2.68Å; R684-D748 PolarHBondContact NE-OD2 3.36Å; R684-D748 IonicContact NH1-OD2 2.67Å; R684-D748 PolarHBondContact NH1-OD2 3.25Å; L688-D748 HydrophobicContact CD1-CB 3.66Å; L744-D748 WeakPolarHBondContact O-CB 3.49Å; L744-D748 PolarHBondContact O-N 3.36Å; D748-G750 VanDerWaalsContact C-N 3.27Å; D748-G750 PolarHBondContact O-N 3.49Å; D748-K774 PolarHBondContact O-NZ 3.01Å |
| 749 | A | 94.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 56% | 0.562 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.8 | -23.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | N745 L747 V751 | N745-A749 WeakPolarHBondContact O-CB 3.03Å; N745-A749 PolarHBondContact O-N 3.12Å; L747-A749 PolarHBondContact O-N 3.12Å; A749-V751 HydrophobicContact CB-CG2 3.86Å |
| 750 | G | 94.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 47.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K746 L747 D748 S771 | K746-G750 PolarHBondContact O-N 2.87Å; L747-G750 PolarHBondContact O-N 2.66Å; L747-G750 VanDerWaalsContact O-N 3.08Å; D748-G750 VanDerWaalsContact C-N 3.27Å; D748-G750 PolarHBondContact O-N 3.49Å; G750-S771 VanDerWaalsContact O-CB 3.25Å; G750-S771 WeakPolarHBondContact O-CB 3.46Å |
| 751 | V | 95.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 50 Ų | 50 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | trans | -65.8 | 140.4 | -174.6 | -174 | 0 | 0 | 0 | 0 | 111.1 | K746 A749 E753 Y770 S771 | K746-V751 HydrophobicContact CB-CB 4.48Å; K746-V751 HydrophobicContact CB-CG2 4.09Å; K746-V751 HydrophobicContact CG-CG2 4.22Å; K746-V751 PolarHBondContact O-N 3.26Å; K746-V751 VanDerWaalsContact O-N 3.14Å; A749-V751 HydrophobicContact CB-CG2 3.86Å; V751-E753 HydrophobicContact CB-CB 4.4Å; V751-E753 HydrophobicContact CG1-CB 3.76Å; V751-E753 PolarHBondContact O-N 3.01Å; V751-Y770 WeakPolarHBondContact O-CB 3.3Å; V751-Y770 PolarHBondContact O-N 3.41Å; V751-S771 PolarHBondContact O-N 2.96Å; V751-S771 VanDerWaalsContact O-N 3.16Å | ||
| 752 | P | 95.1 | Very high | 93.1 | Very high | 110 Ų | 110 | 57.4 Ų | 57.4 | 71% | 0.714 | 31% | 0.31 | S | S | * | . | trans | -73.2 | 18.9 | 173.8 | 31.7 | -37.3 | 0 | 0 | 0 | 114.1 | ||||
| 753 | E | 95.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | trans | -75.6 | 134.7 | 174 | 179.1 | -174.6 | 130.8 | 0 | 0 | 109.5 | K746 V751 T769 Y770 | K746-E753 WeakPolarHBondContact CE-OE2 3.08Å; K746-E753 IonicContact NZ-OE1 3.75Å; K746-E753 PolarHBondContact NZ-OE1 3.07Å; K746-E753 IonicContact NZ-OE2 3.48Å; K746-E753 PolarHBondContact NZ-OE2 2.96Å; V751-E753 HydrophobicContact CB-CB 4.4Å; V751-E753 HydrophobicContact CG1-CB 3.76Å; V751-E753 PolarHBondContact O-N 3.01Å; E753-T769 WeakPolarHBondContact O-CA 3.14Å; E753-T769 WeakPolarHBondContact O-CB 3.31Å; E753-Y770 HydrophobicContact CB-CD2 4.1Å; E753-Y770 HydrophobicContact CB-CE2 4.39Å; E753-Y770 HydrophobicContact CG-CD2 4.49Å; E753-Y770 HydrophobicContact CG-CE2 4.3Å; E753-Y770 PolarHBondContact O-N 2.82Å; E753-Y770 VanDerWaalsContact O-N 3.16Å | ||
| 754 | K | 96 | Very high | 92.5 | Very high | 153 Ų | 153 | 65.8 Ų | 65.8 | 67% | 0.665 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.3 | 178.2 | -68.9 | -179.8 | 178.7 | -174.1 | 0 | 111.2 | V767 V768 T769 | K754-V767 HydrophobicContact CB-CG1 4.03Å; K754-V767 HydrophobicContact CD-CG1 4.04Å; K754-V767 HydrophobicContact CG-CG1 4.36Å; K754-V768 CarbonylContact C-O 3.56Å; K754-V768 WeakPolarHBondContact CA-O 3.44Å; K754-T769 HydrophobicContact CG-CG2 3.68Å |
| 755 | I | 96.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 159.9 | 169 | 63.3 | 173.6 | 0 | 0 | 0 | 111.1 | F719 L757 V767 V768 Y770 L773 | F719-I755 HydrophobicContact CD2-CD1 3.8Å; F719-I755 HydrophobicContact CE2-CD1 4.01Å; I755-L757 HydrophobicContact CD1-CD2 3.86Å; I755-L757 HydrophobicContact CD1-CG 4.38Å; I755-L757 HydrophobicContact CG1-CD2 4.34Å; I755-L757 HydrophobicContact CG1-CG 4.43Å; I755-V767 WeakPolarHBondContact O-CA 3.36Å; I755-V768 HydrophobicContact CG1-CG2 4.21Å; I755-V768 PolarHBondContact N-O 2.93Å; I755-V768 PolarHBondContact O-N 3.19Å; I755-V768 VanDerWaalsContact O-N 3.13Å; I755-Y770 HydrophobicContact CD1-CE1 4.29Å; I755-Y770 HydrophobicContact CG2-CD2 4.25Å; I755-Y770 HydrophobicContact CG2-CE2 3.39Å; I755-L773 HydrophobicContact CD1-CD1 3.73Å; I755-L773 HydrophobicContact CG1-CD1 4.27Å |
| 756 | S | 94.5 | Very high | 92.2 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.5 | 176.9 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | V765 | S756-V765 WeakPolarHBondContact OG-CG1 3.22Å |
| 757 | L | 93.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120 | 176.4 | -62.5 | -175.9 | 0 | 0 | 0 | 109.1 | L718 F719 H722 I755 L766 V768 L773 | L718-L757 HydrophobicContact CB-CB 4.02Å; L718-L757 HydrophobicContact CB-CD1 4.17Å; L718-L757 HydrophobicContact CD1-CB 4.25Å; F719-L757 HydrophobicContact CB-CD1 4.27Å; H722-L757 HydrophobicContact CB-CD2 3.6Å; I755-L757 HydrophobicContact CD1-CD2 3.86Å; I755-L757 HydrophobicContact CD1-CG 4.38Å; I755-L757 HydrophobicContact CG1-CD2 4.34Å; I755-L757 HydrophobicContact CG1-CG 4.43Å; L757-L766 PolarHBondContact N-O 3.49Å; L757-L766 PolarHBondContact O-N 3.06Å; L757-V768 HydrophobicContact CD1-CG2 3.64Å; L757-V768 HydrophobicContact CG-CG2 4.07Å; L757-L773 HydrophobicContact CD1-CD1 4.4Å; L757-L773 HydrophobicContact CD1-CD2 4.12Å |
| 758 | V | 90.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.2 | -175.7 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | S764 V765 | V758-S764 WeakPolarHBondContact CA-O 3.37Å; V758-V765 HydrophobicContact CG1-CG2 4.38Å; V758-V765 HydrophobicContact CG2-CG2 4.3Å |
| 759 | S | 89 | Confident | 92.2 | Very high | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.028 | 40% | 0.396 | C | S | . | . | trans | -68.6 | 152.4 | 174.1 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | D761 E762 K763 S764 | S759-D761 VanDerWaalsContact CB-OD1 3.29Å; S759-D761 WeakPolarHBondContact CB-OD1 3.23Å; S759-D761 PolarHBondContact O-N 3.14Å; S759-D761 PolarHBondContact OG-OD1 2.61Å; S759-E762 WeakPolarHBondContact O-CA 3.45Å; S759-E762 PolarHBondContact O-N 2.85Å; S759-K763 PolarHBondContact OG-N 3.38Å; S759-S764 PolarHBondContact N-O 3.19Å; S759-S764 WeakPolarHBondContact OG-CB 3.29Å; S759-S764 PolarHBondContact OG-N 2.66Å; S759-S764 PolarHBondContact OG-O 2.77Å | ||
| 760 | R | 85.1 | Confident | 92.3 | Very high | 153 Ų | 153 | 69.8 Ų | 69.8 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.1 | -179.2 | -69.6 | -177.6 | 174.7 | -178 | -5.3 | 115.3 | E697 D721 | E697-R760 IonicContact OE1-NH2 3.19Å; E697-R760 PolarHBondContact OE1-NH2 3.2Å; D721-R760 IonicContact OD1-NH2 3.93Å; D721-R760 PolarHBondContact OD1-NH2 3.44Å; D721-R760 IonicContact OD2-CZ 2.84Å; D721-R760 VanDerWaalsContact OD2-CZ 3.29Å; D721-R760 IonicContact OD2-NE 2.67Å; D721-R760 PolarHBondContact OD2-NE 2.68Å; D721-R760 IonicContact OD2-NH2 2.67Å; D721-R760 PolarHBondContact OD2-NH2 3.48Å |
| 761 | D | 86.3 | Confident | 92.4 | Very high | 80 Ų | 80 | 70.9 Ų | 70.9 | 43% | 0.428 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 7 | 175.1 | 74.9 | -31.5 | 0 | 0 | 0 | 112.8 | S759 K763 | S759-D761 VanDerWaalsContact CB-OD1 3.29Å; S759-D761 WeakPolarHBondContact CB-OD1 3.23Å; S759-D761 PolarHBondContact O-N 3.14Å; S759-D761 PolarHBondContact OG-OD1 2.61Å; D761-K763 WeakPolarHBondContact O-CG 3.43Å; D761-K763 PolarHBondContact O-N 2.74Å; D761-K763 PolarHBondContact OD1-N 3.43Å; D761-K763 WeakPolarHBondContact OD2-CD 3.27Å; D761-K763 WeakPolarHBondContact OD2-CG 3.48Å; D761-K763 IonicContact OD2-NZ 3.22Å; D761-K763 PolarHBondContact OD2-NZ 2.95Å |
| 762 | E | 84.2 | Confident | 92.5 | Very high | 168 Ų | 168 | 71 Ų | 71 | 79% | 0.785 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 60.2 | 4.2 | 178.5 | -58.2 | -178.8 | 172.4 | 0 | 0 | 115.8 | S759 | S759-E762 WeakPolarHBondContact O-CA 3.45Å; S759-E762 PolarHBondContact O-N 2.85Å |
| 763 | K | 87.8 | Confident | 92.5 | Very high | 161 Ų | 161 | 65.8 Ų | 65.8 | 70% | 0.7 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -82.1 | -21.1 | -177.1 | -56.5 | -165.2 | -160.6 | 83.1 | 0 | 114.6 | S759 D761 | S759-K763 PolarHBondContact OG-N 3.38Å; D761-K763 WeakPolarHBondContact O-CG 3.43Å; D761-K763 PolarHBondContact O-N 2.74Å; D761-K763 PolarHBondContact OD1-N 3.43Å; D761-K763 WeakPolarHBondContact OD2-CD 3.27Å; D761-K763 WeakPolarHBondContact OD2-CG 3.48Å; D761-K763 IonicContact OD2-NZ 3.22Å; D761-K763 PolarHBondContact OD2-NZ 2.95Å |
| 764 | S | 87.5 | Confident | 92.6 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | trans | -125.4 | 134.8 | -174.6 | -57 | 0 | 0 | 0 | 0 | 111.4 | V758 S759 | V758-S764 WeakPolarHBondContact CA-O 3.37Å; S759-S764 PolarHBondContact N-O 3.19Å; S759-S764 WeakPolarHBondContact OG-CB 3.29Å; S759-S764 PolarHBondContact OG-N 2.66Å; S759-S764 PolarHBondContact OG-O 2.77Å | ||
| 765 | V | 91.6 | Very high | 92.6 | Very high | 87 Ų | 87 | 66.1 Ų | 66.1 | 53% | 0.527 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.4 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | S756 V758 | S756-V765 WeakPolarHBondContact OG-CG1 3.22Å; V758-V765 HydrophobicContact CG1-CG2 4.38Å; V758-V765 HydrophobicContact CG2-CG2 4.3Å |
| 766 | L | 92.2 | Very high | 92.6 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.1 | -178.6 | -60.3 | 179.1 | 0 | 0 | 0 | 109.5 | L715 L718 L757 | L715-L766 HydrophobicContact CD2-CD1 3.7Å; L718-L766 HydrophobicContact CD1-CD1 4.13Å; L757-L766 PolarHBondContact N-O 3.49Å; L757-L766 PolarHBondContact O-N 3.06Å |
| 767 | V | 94.8 | Very high | 92.6 | Very high | 95 Ų | 95 | 63.1 Ų | 63.1 | 58% | 0.576 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.5 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | K754 I755 | K754-V767 HydrophobicContact CB-CG1 4.03Å; K754-V767 HydrophobicContact CD-CG1 4.04Å; K754-V767 HydrophobicContact CG-CG1 4.36Å; I755-V767 WeakPolarHBondContact O-CA 3.36Å |
| 768 | V | 95.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 65.9 Ų | 65.9 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155.6 | -175 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | L715 K754 I755 L757 L773 | L715-V768 HydrophobicContact CD2-CG1 4.14Å; K754-V768 CarbonylContact C-O 3.56Å; K754-V768 WeakPolarHBondContact CA-O 3.44Å; I755-V768 HydrophobicContact CG1-CG2 4.21Å; I755-V768 PolarHBondContact N-O 2.93Å; I755-V768 PolarHBondContact O-N 3.19Å; I755-V768 VanDerWaalsContact O-N 3.13Å; L757-V768 HydrophobicContact CD1-CG2 3.64Å; L757-V768 HydrophobicContact CG-CG2 4.07Å; V768-L773 HydrophobicContact CG2-CD1 3.8Å; V768-L773 HydrophobicContact CG2-CD2 4.11Å; V768-L773 HydrophobicContact CG2-CG 3.84Å |
| 769 | T | 96.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 159.4 | 170.1 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | E753 K754 S771 D772 L773 | E753-T769 WeakPolarHBondContact O-CA 3.14Å; E753-T769 WeakPolarHBondContact O-CB 3.31Å; K754-T769 HydrophobicContact CG-CG2 3.68Å; T769-S771 PolarHBondContact O-N 3.34Å; T769-S771 PolarHBondContact OG1-N 3.17Å; T769-S771 PolarHBondContact OG1-OG 3.33Å; T769-D772 WeakPolarHBondContact CB-OD2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.47Å; T769-D772 WeakPolarHBondContact O-CB 3.17Å; T769-D772 PolarHBondContact O-N 2.86Å; T769-D772 VanDerWaalsContact O-N 3.11Å; T769-D772 PolarHBondContact OG1-N 3.12Å; T769-D772 VanDerWaalsContact OG1-N 3.09Å; T769-D772 PolarHBondContact OG1-OD2 3.49Å; T769-L773 PolarHBondContact O-N 3.12Å |
| 770 | Y | 96.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.7 | -26.1 | 168.8 | -69.9 | -87.9 | 0 | 0 | 0 | 112.5 | F719 C743 K746 L747 V751 E753 I755 K774 | F719-Y770 HydrophobicContact CE2-CD1 4.37Å; F719-Y770 AromaticContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CZ-CE1 4.26Å; C743-Y770 HydrophobicContact CB-CE1 4.24Å; C743-Y770 VanDerWaalsContact O-CE1 3.28Å; C743-Y770 WeakPolarHBondContact O-CE1 3.46Å; C743-Y770 PolarHBondContact SG-OH 2.92Å; K746-Y770 HydrophobicContact CB-CD1 3.68Å; K746-Y770 HydrophobicContact CB-CD2 3.79Å; K746-Y770 HydrophobicContact CB-CE1 3.67Å; K746-Y770 HydrophobicContact CB-CE2 3.8Å; K746-Y770 HydrophobicContact CB-CG 3.72Å; K746-Y770 HydrophobicContact CD-CD2 4.22Å; K746-Y770 HydrophobicContact CD-CE1 4.5Å; K746-Y770 HydrophobicContact CD-CE2 3.57Å; K746-Y770 HydrophobicContact CG-CE2 4.32Å; K746-Y770 WeakPolarHBondContact O-CB 3.36Å; L747-Y770 HydrophobicContact CB-CD1 4.08Å; V751-Y770 WeakPolarHBondContact O-CB 3.3Å; V751-Y770 PolarHBondContact O-N 3.41Å; E753-Y770 HydrophobicContact CB-CD2 4.1Å; E753-Y770 HydrophobicContact CB-CE2 4.39Å; E753-Y770 HydrophobicContact CG-CD2 4.49Å; E753-Y770 HydrophobicContact CG-CE2 4.3Å; E753-Y770 PolarHBondContact O-N 2.82Å; E753-Y770 VanDerWaalsContact O-N 3.16Å; I755-Y770 HydrophobicContact CD1-CE1 4.29Å; I755-Y770 HydrophobicContact CG2-CD2 4.25Å; I755-Y770 HydrophobicContact CG2-CE2 3.39Å; Y770-K774 WeakPolarHBondContact O-CB 3.39Å; Y770-K774 PolarHBondContact O-N 3.23Å |
| 771 | S | 96.9 | Very high | 93.5 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71 | -32.9 | 172.9 | 80.9 | 0 | 0 | 0 | 0 | 113.1 | G750 V751 T769 R775 | G750-S771 VanDerWaalsContact O-CB 3.25Å; G750-S771 WeakPolarHBondContact O-CB 3.46Å; V751-S771 PolarHBondContact O-N 2.96Å; V751-S771 VanDerWaalsContact O-N 3.16Å; T769-S771 PolarHBondContact O-N 3.34Å; T769-S771 PolarHBondContact OG1-N 3.17Å; T769-S771 PolarHBondContact OG1-OG 3.33Å; S771-R775 WeakPolarHBondContact O-CG 3.44Å; S771-R775 PolarHBondContact O-N 3.12Å |
| 772 | D | 96.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.9 | -48.5 | 171 | -56.1 | -49.4 | 0 | 0 | 0 | 110.6 | T769 K774 R775 C776 | T769-D772 WeakPolarHBondContact CB-OD2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.47Å; T769-D772 WeakPolarHBondContact O-CB 3.17Å; T769-D772 PolarHBondContact O-N 2.86Å; T769-D772 VanDerWaalsContact O-N 3.11Å; T769-D772 PolarHBondContact OG1-N 3.12Å; T769-D772 VanDerWaalsContact OG1-N 3.09Å; T769-D772 PolarHBondContact OG1-OD2 3.49Å; D772-K774 VanDerWaalsContact C-N 3.31Å; D772-K774 PolarHBondContact O-N 3.04Å; D772-R775 WeakPolarHBondContact O-CB 3.13Å; D772-R775 PolarHBondContact O-N 3.03Å; D772-R775 VanDerWaalsContact O-N 3.14Å; D772-R775 IonicContact OD1-CZ 3.6Å; D772-R775 IonicContact OD1-NH2 2.7Å; D772-R775 PolarHBondContact OD1-NH2 3.48Å; D772-C776 PolarHBondContact O-N 3.46Å; D772-C776 PolarHBondContact O-SG 2.75Å |
| 773 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 178.4 | -71.7 | 169.1 | 0 | 0 | 0 | 112.4 | L715 F719 L747 I755 L757 V768 T769 C776 F777 | L715-L773 HydrophobicContact CB-CD2 4.05Å; F719-L773 HydrophobicContact CB-CD1 4.35Å; F719-L773 HydrophobicContact CB-CD2 4.16Å; F719-L773 HydrophobicContact CD2-CD1 3.69Å; F719-L773 HydrophobicContact CE2-CD1 4.31Å; F719-L773 HydrophobicContact CG-CD1 4.13Å; L747-L773 HydrophobicContact CD1-CB 3.68Å; I755-L773 HydrophobicContact CD1-CD1 3.73Å; I755-L773 HydrophobicContact CG1-CD1 4.27Å; L757-L773 HydrophobicContact CD1-CD1 4.4Å; L757-L773 HydrophobicContact CD1-CD2 4.12Å; V768-L773 HydrophobicContact CG2-CD1 3.8Å; V768-L773 HydrophobicContact CG2-CD2 4.11Å; V768-L773 HydrophobicContact CG2-CG 3.84Å; T769-L773 PolarHBondContact O-N 3.12Å; L773-C776 WeakPolarHBondContact O-CB 3.48Å; L773-C776 PolarHBondContact O-N 2.91Å; L773-F777 VanDerWaalsContact O-CB 3.23Å; L773-F777 WeakPolarHBondContact O-CB 3.42Å; L773-F777 PolarHBondContact O-N 2.57Å |
| 774 | K | 96.7 | Very high | 94.3 | Very high | 66 Ų | 66 | 49 Ų | 49 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 173.9 | -174 | 175.1 | -177.3 | 171.1 | 0 | 111.7 | L747 D748 Y770 D772 F777 D778 | L747-K774 HydrophobicContact CD1-CB 4.27Å; L747-K774 WeakPolarHBondContact O-CD 3.44Å; D748-K774 PolarHBondContact O-NZ 3.01Å; Y770-K774 WeakPolarHBondContact O-CB 3.39Å; Y770-K774 PolarHBondContact O-N 3.23Å; D772-K774 VanDerWaalsContact C-N 3.31Å; D772-K774 PolarHBondContact O-N 3.04Å; K774-F777 PolarHBondContact O-N 3.49Å; K774-D778 WeakPolarHBondContact CE-OD2 3.24Å; K774-D778 PolarHBondContact O-N 3.01Å |
| 775 | R | 96.4 | Very high | 94.5 | Very high | 167 Ų | 167 | 50.9 Ų | 50.9 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 175.9 | -70.5 | -175.6 | -65.4 | 153.3 | -2.9 | 111.6 | S771 D772 F777 S779 | S771-R775 WeakPolarHBondContact O-CG 3.44Å; S771-R775 PolarHBondContact O-N 3.12Å; D772-R775 WeakPolarHBondContact O-CB 3.13Å; D772-R775 PolarHBondContact O-N 3.03Å; D772-R775 VanDerWaalsContact O-N 3.14Å; D772-R775 IonicContact OD1-CZ 3.6Å; D772-R775 IonicContact OD1-NH2 2.7Å; D772-R775 PolarHBondContact OD1-NH2 3.48Å; R775-F777 VanDerWaalsContact C-N 3.33Å; R775-F777 PolarHBondContact O-N 3.35Å; R775-S779 WeakPolarHBondContact O-CB 3.41Å; R775-S779 PolarHBondContact O-N 2.87Å |
| 776 | C | 95.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 174.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | D712 L716 D772 L773 T780 | D712-C776 HydrophobicContact CB-CB 3.87Å; L716-C776 HydrophobicContact CD2-CB 4.21Å; L716-C776 HydrophobicContact CG-CB 4.29Å; D772-C776 PolarHBondContact O-N 3.46Å; D772-C776 PolarHBondContact O-SG 2.75Å; L773-C776 WeakPolarHBondContact O-CB 3.48Å; L773-C776 PolarHBondContact O-N 2.91Å; C776-T780 VanDerWaalsContact O-CB 3.25Å; C776-T780 WeakPolarHBondContact O-CB 3.34Å; C776-T780 PolarHBondContact O-N 3.28Å; C776-T780 PolarHBondContact O-OG1 2.89Å |
| 777 | F | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -53.7 | -177.7 | 174.9 | -103.6 | 0 | 0 | 0 | 113.3 | L688 K691 L692 I695 L716 L773 K774 R775 F781 | L688-F777 HydrophobicContact CD2-CE1 3.69Å; L688-F777 HydrophobicContact CD2-CZ 3.83Å; K691-F777 HydrophobicContact CB-CE1 4.44Å; K691-F777 HydrophobicContact CB-CE2 3.78Å; K691-F777 HydrophobicContact CB-CZ 3.47Å; K691-F777 VanDerWaalsContact CB-CZ 3.47Å; K691-F777 HydrophobicContact CD-CE1 3.58Å; K691-F777 HydrophobicContact CD-CE2 4.4Å; K691-F777 HydrophobicContact CD-CZ 3.42Å; K691-F777 VanDerWaalsContact CD-CZ 3.42Å; K691-F777 HydrophobicContact CG-CZ 4.12Å; L692-F777 HydrophobicContact CB-CE2 4.09Å; L692-F777 HydrophobicContact CD1-CD2 4.4Å; L692-F777 HydrophobicContact CD1-CE2 4.41Å; I695-F777 HydrophobicContact CD1-CD2 4.07Å; I695-F777 HydrophobicContact CD1-CE2 4.37Å; L716-F777 HydrophobicContact CD1-CB 4.44Å; L716-F777 HydrophobicContact CD2-CB 3.79Å; L716-F777 HydrophobicContact CD2-CD2 4.43Å; L773-F777 VanDerWaalsContact O-CB 3.23Å; L773-F777 WeakPolarHBondContact O-CB 3.42Å; L773-F777 PolarHBondContact O-N 2.57Å; K774-F777 PolarHBondContact O-N 3.49Å; R775-F777 VanDerWaalsContact C-N 3.33Å; R775-F777 PolarHBondContact O-N 3.35Å; F777-F781 WeakPolarHBondContact O-CB 3.46Å; F777-F781 PolarHBondContact O-N 2.88Å |
| 778 | D | 95.5 | Very high | 94 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | -178.3 | -76.6 | -40.8 | 0 | 0 | 0 | 111.3 | K691 K774 F781 Q782 | K691-D778 IonicContact NZ-OD1 3.76Å; K691-D778 PolarHBondContact NZ-OD1 3.06Å; K691-D778 VanDerWaalsContact NZ-OD1 3.14Å; K774-D778 WeakPolarHBondContact CE-OD2 3.24Å; K774-D778 PolarHBondContact O-N 3.01Å; D778-F781 PolarHBondContact O-N 3.39Å; D778-Q782 VanDerWaalsContact O-CB 3.32Å; D778-Q782 WeakPolarHBondContact O-CB 3.49Å; D778-Q782 PolarHBondContact O-N 3.42Å |
| 779 | S | 94.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 42% | 0.42 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -54 | 172.6 | -179.1 | 0 | 0 | 0 | 0 | 112 | R775 F781 Q782 E783 | R775-S779 WeakPolarHBondContact O-CB 3.41Å; R775-S779 PolarHBondContact O-N 2.87Å; S779-F781 VanDerWaalsContact C-N 3.3Å; S779-F781 PolarHBondContact O-N 3.29Å; S779-Q782 WeakPolarHBondContact O-CB 3.46Å; S779-Q782 PolarHBondContact O-N 3.48Å; S779-Q782 VanDerWaalsContact O-N 3.07Å; S779-E783 PolarHBondContact O-N 3.3Å |
| 780 | T | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 179.5 | -56 | 0 | 0 | 0 | 0 | 111.7 | I695 W707 R713 L716 C776 L784 | I695-T780 HydrophobicContact CB-CG2 4.45Å; I695-T780 HydrophobicContact CD1-CG2 4.15Å; I695-T780 HydrophobicContact CG1-CG2 4.05Å; I695-T780 HydrophobicContact CG2-CG2 3.59Å; W707-T780 HydrophobicContact CH2-CG2 3.44Å; W707-T780 VanDerWaalsContact CH2-CG2 3.44Å; W707-T780 HydrophobicContact CZ2-CG2 3.7Å; W707-T780 HydrophobicContact CZ3-CG2 4.44Å; R713-T780 HydrophobicContact CG-CG2 3.65Å; L716-T780 HydrophobicContact CD1-CG2 4.44Å; C776-T780 VanDerWaalsContact O-CB 3.25Å; C776-T780 WeakPolarHBondContact O-CB 3.34Å; C776-T780 PolarHBondContact O-N 3.28Å; C776-T780 PolarHBondContact O-OG1 2.89Å; T780-L784 WeakPolarHBondContact O-CG 3.29Å; T780-L784 PolarHBondContact O-N 3.11Å |
| 781 | F | 93.5 | Very high | 91.2 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.4 | -26.3 | 175.9 | -164.1 | -109.2 | 0 | 0 | 0 | 113.1 | K691 T694 I695 F777 D778 S779 Q785 | K691-F781 HydrophobicContact CB-CD2 4.08Å; K691-F781 HydrophobicContact CB-CE2 4.15Å; K691-F781 HydrophobicContact CB-CG 4.44Å; K691-F781 HydrophobicContact CD-CD1 3.9Å; K691-F781 HydrophobicContact CD-CE1 4.13Å; K691-F781 HydrophobicContact CD-CG 4.14Å; K691-F781 HydrophobicContact CG-CD1 3.95Å; K691-F781 HydrophobicContact CG-CD2 3.96Å; K691-F781 HydrophobicContact CG-CE1 3.81Å; K691-F781 HydrophobicContact CG-CE2 3.82Å; K691-F781 HydrophobicContact CG-CG 4.04Å; K691-F781 HydrophobicContact CG-CZ 3.75Å; T694-F781 HydrophobicContact CG2-CE2 4.21Å; I695-F781 HydrophobicContact CD1-CB 4.18Å; I695-F781 HydrophobicContact CD1-CD2 4.39Å; I695-F781 HydrophobicContact CG1-CD2 4.44Å; F777-F781 WeakPolarHBondContact O-CB 3.46Å; F777-F781 PolarHBondContact O-N 2.88Å; D778-F781 PolarHBondContact O-N 3.39Å; S779-F781 VanDerWaalsContact C-N 3.3Å; S779-F781 PolarHBondContact O-N 3.29Å; F781-Q785 HydrophobicContact CD1-CG 4.43Å; F781-Q785 HydrophobicContact CE1-CG 4.09Å; F781-Q785 HydrophobicContact CZ-CG 4.48Å; F781-Q785 WeakPolarHBondContact O-CG 3.46Å; F781-Q785 PolarHBondContact O-N 2.97Å; F781-Q785 PolarHBondContact O-NE2 3.21Å |
| 782 | Q | 94.1 | Very high | 89.2 | Confident | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -74.6 | -38.7 | 175.1 | -172.9 | 171.9 | 3.1 | 0 | 0 | 111.9 | D778 S779 Q785 A786 | D778-Q782 VanDerWaalsContact O-CB 3.32Å; D778-Q782 WeakPolarHBondContact O-CB 3.49Å; D778-Q782 PolarHBondContact O-N 3.42Å; S779-Q782 WeakPolarHBondContact O-CB 3.46Å; S779-Q782 PolarHBondContact O-N 3.48Å; S779-Q782 VanDerWaalsContact O-N 3.07Å; Q782-Q785 PolarHBondContact O-N 2.64Å; Q782-A786 WeakPolarHBondContact O-CB 3.28Å; Q782-A786 PolarHBondContact O-N 3.35Å |
| 783 | E | 91.1 | Very high | 88.9 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.3 | -50.4 | 170.6 | 177.5 | -173.7 | -171.5 | 0 | 0 | 111.6 | F701 W707 R713 S779 Q785 A786 A787 L792 | F701-E783 HydrophobicContact CE1-CG 3.86Å; F701-E783 HydrophobicContact CZ-CG 4.12Å; W707-E783 WeakPolarHBondContact CZ2-OE2 3.28Å; W707-E783 PolarHBondContact NE1-OE1 3.04Å; R713-E783 IonicContact CZ-OE2 2.68Å; R713-E783 IonicContact NE-OE2 3.44Å; R713-E783 PolarHBondContact NE-OE2 2.81Å; R713-E783 IonicContact NH2-OE1 2.77Å; R713-E783 IonicContact NH2-OE2 3.29Å; R713-E783 PolarHBondContact NH2-OE2 2.86Å; S779-E783 PolarHBondContact O-N 3.3Å; E783-Q785 VanDerWaalsContact C-N 3.33Å; E783-Q785 PolarHBondContact O-N 3.48Å; E783-A786 PolarHBondContact O-N 2.89Å; E783-A787 PolarHBondContact O-N 2.88Å; E783-L792 HydrophobicContact CG-CD1 4.24Å; E783-L792 WeakPolarHBondContact O-CD1 3.35Å |
| 784 | L | 90.3 | Very high | 88.5 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 177.5 | -68.5 | -178.3 | 0 | 0 | 0 | 113 | T694 I695 F701 W707 T780 A788 | T694-L784 HydrophobicContact CG2-CD1 4.26Å; T694-L784 WeakPolarHBondContact O-CD1 3.43Å; I695-L784 HydrophobicContact CG1-CD1 3.84Å; F701-L784 HydrophobicContact CD2-CD2 3.61Å; F701-L784 HydrophobicContact CE2-CD2 3.45Å; F701-L784 VanDerWaalsContact CE2-CD2 3.45Å; F701-L784 HydrophobicContact CG-CD2 4.23Å; F701-L784 HydrophobicContact CZ-CD2 3.92Å; W707-L784 HydrophobicContact CH2-CD1 3.84Å; W707-L784 HydrophobicContact CH2-CD2 3.55Å; W707-L784 HydrophobicContact CH2-CG 3.73Å; W707-L784 HydrophobicContact CZ2-CD2 3.8Å; W707-L784 HydrophobicContact CZ2-CG 4.11Å; W707-L784 HydrophobicContact CZ3-CD2 4.22Å; T780-L784 WeakPolarHBondContact O-CG 3.29Å; T780-L784 PolarHBondContact O-N 3.11Å; L784-A788 WeakPolarHBondContact O-CB 3.44Å; L784-A788 PolarHBondContact O-N 2.75Å |
| 785 | Q | 92.2 | Very high | 88.1 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 174.7 | -79.1 | 171.7 | 89.2 | 0 | 0 | 112.3 | F781 Q782 E783 A787 A788 A789 | F781-Q785 HydrophobicContact CD1-CG 4.43Å; F781-Q785 HydrophobicContact CE1-CG 4.09Å; F781-Q785 HydrophobicContact CZ-CG 4.48Å; F781-Q785 WeakPolarHBondContact O-CG 3.46Å; F781-Q785 PolarHBondContact O-N 2.97Å; F781-Q785 PolarHBondContact O-NE2 3.21Å; Q782-Q785 PolarHBondContact O-N 2.64Å; E783-Q785 VanDerWaalsContact C-N 3.33Å; E783-Q785 PolarHBondContact O-N 3.48Å; Q785-A787 PolarHBondContact O-N 2.99Å; Q785-A788 PolarHBondContact O-N 3.09Å; Q785-A789 WeakPolarHBondContact O-CB 3.33Å; Q785-A789 PolarHBondContact O-N 3.2Å |
| 786 | A | 91.2 | Very high | 87.6 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 24% | 0.24 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q782 E783 A789 G790 S791 L792 | Q782-A786 WeakPolarHBondContact O-CB 3.28Å; Q782-A786 PolarHBondContact O-N 3.35Å; E783-A786 PolarHBondContact O-N 2.89Å; A786-A789 CarbonylContact O-C 3.53Å; A786-A789 PolarHBondContact O-N 2.93Å; A786-G790 PolarHBondContact O-N 3.38Å; A786-S791 WeakPolarHBondContact O-CA 3.37Å; A786-S791 WeakPolarHBondContact O-CB 3.42Å; A786-S791 PolarHBondContact O-N 3.35Å; A786-L792 HydrophobicContact CB-CD1 3.76Å; A786-L792 HydrophobicContact CB-CG 3.77Å |
| 787 | A | 88.2 | Confident | 87.1 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F701 E783 Q785 A789 G790 L792 | F701-A787 HydrophobicContact CE2-CB 3.66Å; F701-A787 HydrophobicContact CZ-CB 3.5Å; F701-A787 VanDerWaalsContact CZ-CB 3.5Å; E783-A787 PolarHBondContact O-N 2.88Å; Q785-A787 PolarHBondContact O-N 2.99Å; A787-A789 PolarHBondContact O-N 2.93Å; A787-G790 PolarHBondContact O-N 3.1Å; A787-L792 HydrophobicContact CB-CB 4.32Å; A787-L792 HydrophobicContact CB-CD1 4.32Å |
| 788 | A | 87.7 | Confident | 86.5 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 77% | 0.769 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.7 | -28.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L784 Q785 G790 | L784-A788 WeakPolarHBondContact O-CB 3.44Å; L784-A788 PolarHBondContact O-N 2.75Å; Q785-A788 PolarHBondContact O-N 3.09Å; A788-G790 VanDerWaalsContact C-N 3.33Å |
| 789 | A | 87.4 | Confident | 85.9 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q785 A786 A787 S791 | Q785-A789 WeakPolarHBondContact O-CB 3.33Å; Q785-A789 PolarHBondContact O-N 3.2Å; A786-A789 CarbonylContact O-C 3.53Å; A786-A789 PolarHBondContact O-N 2.93Å; A787-A789 PolarHBondContact O-N 2.93Å; A789-S791 VanDerWaalsContact C-N 3.28Å; A789-S791 PolarHBondContact O-N 3.24Å |
| 790 | G | 78.3 | Confident | 85.2 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 69% | 0.691 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 27.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | A786 A787 A788 | A786-G790 PolarHBondContact O-N 3.38Å; A787-G790 PolarHBondContact O-N 3.1Å; A788-G790 VanDerWaalsContact C-N 3.33Å |
| 791 | S | 63.8 | Low | 84.5 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 61% | 0.608 | 45% | 0.452 | S | S | * | . | trans | -102.5 | 8.3 | -179.6 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | A786 A789 | A786-S791 WeakPolarHBondContact O-CA 3.37Å; A786-S791 WeakPolarHBondContact O-CB 3.42Å; A786-S791 PolarHBondContact O-N 3.35Å; A789-S791 VanDerWaalsContact C-N 3.28Å; A789-S791 PolarHBondContact O-N 3.24Å | ||
| 792 | L | 56.7 | Low | 83.7 | Confident | 140 Ų | 140 | 73.5 Ų | 73.5 | 73% | 0.733 | 48% | 0.477 | S | S | * | . | trans | -137.7 | 0 | 173.6 | -67.5 | 178.1 | 0 | 0 | 0 | 109.7 | E783 A786 A787 | E783-L792 HydrophobicContact CG-CD1 4.24Å; E783-L792 WeakPolarHBondContact O-CD1 3.35Å; A786-L792 HydrophobicContact CB-CD1 3.76Å; A786-L792 HydrophobicContact CB-CG 3.77Å; A787-L792 HydrophobicContact CB-CB 4.32Å; A787-L792 HydrophobicContact CB-CD1 4.32Å |
Retrieved 792 of 792 residues in 242 ms
(Link to these results)