| 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 | 55.9 | Low | 58.1 | Low | 221 Ų | 221 | 126.7 Ų | 126.7 | 100% | 1.089 | 74% | 0.735 | S | S | * | * | 0 | -73.1 | 0 | -64.3 | -46 | -160.1 | 0 | 0 | 113.3 | N3 L4 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.43Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.16Å | |||
| 2 | A | 56.1 | Low | 58 | Low | 86 Ų | 86 | 121 Ų | 121 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -45.9 | -41.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | L4 A5 | A2-L4 PolarHBondContact O-N 3.41Å; A2-A5 PolarHBondContact O-N 3.17Å |
| 3 | N | 58.4 | Low | 58 | Low | 148 Ų | 148 | 124.1 Ų | 124.1 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -70.3 | -0.9 | -173.6 | -140.9 | -6.9 | 0 | 0 | 0 | 115.4 | M1 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.43Å |
| 4 | L | 56.4 | Low | 58.2 | Low | 129 Ų | 129 | 129.1 Ų | 129.1 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -90 | -35.7 | 174.9 | -152.3 | 78.7 | 0 | 0 | 0 | 112.7 | M1 A2 K7 | M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.16Å; A2-L4 PolarHBondContact O-N 3.41Å; L4-K7 PolarHBondContact O-N 3.07Å |
| 5 | A | 58.8 | Low | 58.5 | Low | 79 Ų | 79 | 129.9 Ų | 129.9 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -65.7 | -42.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2 K7 M8 | A2-A5 PolarHBondContact O-N 3.17Å; A5-K7 PolarHBondContact O-N 3.45Å; A5-M8 PolarHBondContact O-N 3.36Å |
| 6 | T | 59.9 | Low | 58.5 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -57.7 | -22.5 | -179.8 | -20 | 0 | 0 | 0 | 0 | 113.3 | ||
| 7 | K | 58.5 | Low | 58.9 | Low | 185 Ų | 185 | 121.4 Ų | 121.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -88.4 | -13.9 | -174.4 | -149.4 | 169.6 | -173.9 | 176 | 0 | 114.1 | L4 A5 | L4-K7 PolarHBondContact O-N 3.07Å; A5-K7 PolarHBondContact O-N 3.45Å |
| 8 | M | 58.8 | Low | 59.1 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -20.9 | 176.9 | -65.3 | -154.5 | -177 | 0 | 0 | 114.1 | A5 M10 S11 | A5-M8 PolarHBondContact O-N 3.36Å; M8-M10 VanDerWaalsContact C-N 3.33Å; M8-M10 PolarHBondContact O-N 2.91Å; M8-S11 PolarHBondContact O-OG 3.46Å |
| 9 | G | 55.3 | Low | 59.7 | Low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -18.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 10 | M | 60.2 | Low | 59.9 | Low | 139 Ų | 139 | 119.1 Ų | 119.1 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -7.7 | -169.7 | -64.8 | -170 | 77.5 | 0 | 0 | 115.8 | M8 | M8-M10 VanDerWaalsContact C-N 3.33Å; M8-M10 PolarHBondContact O-N 2.91Å |
| 11 | S | 60.6 | Low | 60.3 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -86.6 | -34.6 | -173 | 45.6 | 0 | 0 | 0 | 0 | 114.1 | M8 | M8-S11 PolarHBondContact O-OG 3.46Š|
| 12 | G | 57.3 | Low | 61 | Low | 58 Ų | 58 | 114.3 Ų | 114.3 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -40.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R14 | G12-R14 VanDerWaalsContact C-N 3.25Å; G12-R14 PolarHBondContact O-N 2.87Å; G12-R14 VanDerWaalsContact O-N 3.1Å |
| 13 | L | 58.2 | Low | 61.7 | Low | 161 Ų | 161 | 117.4 Ų | 117.4 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.3 | -9.9 | -164.6 | -148.3 | 74.6 | 0 | 0 | 0 | 115.3 | ||
| 14 | R | 60.4 | Low | 62.3 | Low | 194 Ų | 194 | 115.5 Ų | 115.5 | 73% | 0.732 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -89.1 | -14 | -170.3 | -70.3 | -174.5 | 176.2 | -178.6 | 0.1 | 115.6 | G12 | G12-R14 VanDerWaalsContact C-N 3.25Å; G12-R14 PolarHBondContact O-N 2.87Å; G12-R14 VanDerWaalsContact O-N 3.1Å |
| 15 | I | 61.9 | Low | 63 | Low | 142 Ų | 142 | 112.6 Ų | 112.6 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.5 | -48.9 | -173.1 | -59.8 | 179.5 | 0 | 0 | 0 | 111.2 | G17 R18 | I15-G17 PolarHBondContact O-N 3.27Å; I15-R18 PolarHBondContact O-N 2.87Å |
| 16 | G | 59.9 | Low | 63.9 | Low | 59 Ų | 59 | 116.4 Ų | 116.4 | 61% | 0.608 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -61.4 | -46.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R18 A19 | G16-R18 PolarHBondContact O-N 3.42Å; G16-A19 PolarHBondContact O-N 3.21Å |
| 17 | G | 63.9 | Low | 64.8 | Low | 56 Ų | 56 | 118.7 Ų | 118.7 | 58% | 0.577 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.8 | -18 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I15 | I15-G17 PolarHBondContact O-N 3.27Å |
| 18 | R | 63.9 | Low | 65.6 | Low | 188 Ų | 188 | 112.6 Ų | 112.6 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -81.3 | -16.1 | -176.7 | -149.3 | 176.2 | -169.6 | -164.5 | 1.8 | 113.7 | I15 G16 | I15-R18 PolarHBondContact O-N 2.87Å; G16-R18 PolarHBondContact O-N 3.42Å |
| 19 | A | 68.8 | Low | 66.6 | Low | 67 Ų | 67 | 108.6 Ų | 108.6 | 55% | 0.554 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.1 | -54.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G16 A21 R22 | G16-A19 PolarHBondContact O-N 3.21Å; A19-A21 VanDerWaalsContact C-N 3.34Å; A19-A21 PolarHBondContact O-N 3.25Å; A19-R22 WeakPolarHBondContact O-CB 3.48Å; A19-R22 PolarHBondContact O-N 2.91Å |
| 20 | A | 64.9 | Low | 68 | Low | 62 Ų | 62 | 112.7 Ų | 112.7 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -56.6 | -44.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R22 Q23 V24 | A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.12Å; A20-Q23 PolarHBondContact O-N 3.36Å; A20-Q23 VanDerWaalsContact O-N 3.13Å; A20-V24 PolarHBondContact O-N 3Å |
| 21 | A | 68.2 | Low | 69.2 | Low | 65 Ų | 65 | 111.2 Ų | 111.2 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -58.7 | -26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | A19 S25 | A19-A21 VanDerWaalsContact C-N 3.34Å; A19-A21 PolarHBondContact O-N 3.25Å; A21-S25 PolarHBondContact O-OG 2.74Å |
| 22 | R | 71.3 | Confident | 70 | Confident | 175 Ų | 175 | 112.9 Ų | 112.9 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.2 | -20.8 | 179.5 | -78.1 | 178.1 | 156.6 | -169.3 | -8.2 | 114.1 | A19 A20 S25 | A19-R22 WeakPolarHBondContact O-CB 3.48Å; A19-R22 PolarHBondContact O-N 2.91Å; A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.12Å; R22-S25 PolarHBondContact O-OG 3.43Å |
| 23 | Q | 70.8 | Confident | 71.3 | Confident | 152 Ų | 152 | 113 Ų | 113 | 71% | 0.71 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79 | -45.9 | 173.6 | -81.4 | -177.3 | -33.6 | 0 | 0 | 111 | A20 S25 K26 | A20-Q23 PolarHBondContact O-N 3.36Å; A20-Q23 VanDerWaalsContact O-N 3.13Å; Q23-S25 VanDerWaalsContact C-N 3.35Å; Q23-S25 PolarHBondContact O-N 3.31Å; Q23-K26 PolarHBondContact O-N 2.93Å |
| 24 | V | 70.4 | Confident | 72.7 | Confident | 107 Ų | 107 | 111.1 Ų | 111.1 | 65% | 0.648 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.7 | -42.3 | -178.8 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | A20 K26 Q27 A28 | A20-V24 PolarHBondContact O-N 3Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.05Å; V24-Q27 PolarHBondContact O-N 2.98Å; V24-A28 PolarHBondContact O-N 2.97Å |
| 25 | S | 69.8 | Low | 73.8 | Confident | 68 Ų | 68 | 107.5 Ų | 107.5 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.6 | -32.9 | 178.9 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | A21 R22 Q23 Q27 A29 | A21-S25 PolarHBondContact O-OG 2.74Å; R22-S25 PolarHBondContact O-OG 3.43Å; Q23-S25 VanDerWaalsContact C-N 3.35Å; Q23-S25 PolarHBondContact O-N 3.31Å; S25-Q27 VanDerWaalsContact C-N 3.35Å; S25-Q27 PolarHBondContact O-N 3.23Å; S25-A29 PolarHBondContact O-N 3.05Å; S25-A29 VanDerWaalsContact O-N 3.15Å |
| 26 | K | 79 | Confident | 74.7 | Confident | 160 Ų | 160 | 103.6 Ų | 103.6 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.8 | -29.4 | 178.5 | -82.8 | -171.1 | 172.6 | -170 | 0 | 113.6 | Q23 V24 | Q23-K26 PolarHBondContact O-N 2.93Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.05Å |
| 27 | Q | 78.8 | Confident | 75.9 | Confident | 155 Ų | 155 | 103.8 Ų | 103.8 | 72% | 0.724 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77.2 | -47 | 175.1 | -74.2 | -174.4 | -18.1 | 0 | 0 | 111.3 | V24 S25 A29 K30 | V24-Q27 PolarHBondContact O-N 2.98Å; S25-Q27 VanDerWaalsContact C-N 3.35Å; S25-Q27 PolarHBondContact O-N 3.23Å; Q27-A29 VanDerWaalsContact C-N 3.3Å; Q27-A29 PolarHBondContact O-N 3.34Å; Q27-K30 PolarHBondContact O-N 3.44Å; Q27-K30 VanDerWaalsContact O-N 3.09Å |
| 28 | A | 75.6 | Confident | 77 | Confident | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -56.6 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V24 K30 I32 | V24-A28 PolarHBondContact O-N 2.97Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.29Å; A28-I32 WeakPolarHBondContact O-CG1 3.38Å; A28-I32 PolarHBondContact O-N 3.3Å |
| 29 | A | 79.5 | Confident | 78 | Confident | 60 Ų | 60 | 100 Ų | 100 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -32.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S25 Q27 A33 | S25-A29 PolarHBondContact O-N 3.05Å; S25-A29 VanDerWaalsContact O-N 3.15Å; Q27-A29 VanDerWaalsContact C-N 3.3Å; Q27-A29 PolarHBondContact O-N 3.34Å; A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 3.04Å |
| 30 | K | 85.1 | Confident | 78.4 | Confident | 152 Ų | 152 | 99.7 Ų | 99.7 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.4 | -39.2 | -178.3 | -82.2 | -171.8 | 173.4 | -171.4 | 0 | 112.9 | Q27 A28 K34 | Q27-K30 PolarHBondContact O-N 3.44Å; Q27-K30 VanDerWaalsContact O-N 3.09Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.29Å; K30-K34 WeakPolarHBondContact O-CG 3.32Å; K30-K34 PolarHBondContact O-N 3.15Å |
| 31 | E | 83.8 | Confident | 79.3 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.7 | -42.3 | 179.4 | -64 | -47.7 | 117.7 | 0 | 0 | 112.1 | A33 K34 E35 | E31-A33 VanDerWaalsContact C-N 3.28Å; E31-A33 PolarHBondContact O-N 3.12Å; E31-K34 VanDerWaalsContact CD-NZ 3.29Å; E31-K34 PolarHBondContact O-N 3.17Å; E31-K34 WeakPolarHBondContact OE1-CE 3.32Å; E31-K34 IonicContact OE1-NZ 3.74Å; E31-K34 PolarHBondContact OE1-NZ 3.47Å; E31-K34 WeakPolarHBondContact OE2-CD 3.23Å; E31-K34 IonicContact OE2-NZ 2.66Å; E31-K34 PolarHBondContact OE2-NZ 3.21Å; E31-K34 VanDerWaalsContact OE2-NZ 3.1Å; E31-E35 PolarHBondContact O-N 3.01Å; E31-E35 VanDerWaalsContact O-N 3.17Å |
| 32 | I | 78.6 | Confident | 79.9 | Confident | 123 Ų | 123 | 104 Ų | 104 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.2 | -40.5 | 176.6 | -63.2 | 168.5 | 0 | 0 | 0 | 110.9 | A28 E35 A36 | A28-I32 WeakPolarHBondContact O-CG1 3.38Å; A28-I32 PolarHBondContact O-N 3.3Å; I32-E35 PolarHBondContact O-N 3.03Å; I32-A36 WeakPolarHBondContact O-CB 3.31Å; I32-A36 PolarHBondContact O-N 3.08Å; I32-A36 VanDerWaalsContact O-N 3.12Å |
| 33 | A | 84 | Confident | 80.2 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A29 E31 A37 | A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 3.04Å; E31-A33 VanDerWaalsContact C-N 3.28Å; E31-A33 PolarHBondContact O-N 3.12Å; A33-A37 WeakPolarHBondContact O-CB 3.46Å; A33-A37 PolarHBondContact O-N 3.01Å; A33-A37 VanDerWaalsContact O-N 3.11Å |
| 34 | K | 87.5 | Confident | 80.3 | Confident | 122 Ų | 122 | 98.4 Ų | 98.4 | 53% | 0.53 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -47.2 | 175.5 | -70.8 | 171.5 | -176.5 | 169.1 | 0 | 111.4 | K30 E31 A37 T38 | K30-K34 WeakPolarHBondContact O-CG 3.32Å; K30-K34 PolarHBondContact O-N 3.15Å; E31-K34 VanDerWaalsContact CD-NZ 3.29Å; E31-K34 PolarHBondContact O-N 3.17Å; E31-K34 WeakPolarHBondContact OE1-CE 3.32Å; E31-K34 IonicContact OE1-NZ 3.74Å; E31-K34 PolarHBondContact OE1-NZ 3.47Å; E31-K34 WeakPolarHBondContact OE2-CD 3.23Å; E31-K34 IonicContact OE2-NZ 2.66Å; E31-K34 PolarHBondContact OE2-NZ 3.21Å; E31-K34 VanDerWaalsContact OE2-NZ 3.1Å; K34-A37 PolarHBondContact O-N 3.2Å; K34-T38 WeakPolarHBondContact O-CG2 3.42Å; K34-T38 PolarHBondContact O-N 3.5Å; K34-T38 VanDerWaalsContact O-N 3.15Å |
| 35 | E | 84.3 | Confident | 80.5 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.7 | -45.9 | -176.7 | -152.7 | -159.4 | 141.7 | 0 | 0 | 111.1 | E31 I32 A37 T38 Q39 | E31-E35 PolarHBondContact O-N 3.01Å; E31-E35 VanDerWaalsContact O-N 3.17Å; I32-E35 PolarHBondContact O-N 3.03Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.06Å; E35-T38 PolarHBondContact O-N 3.37Å; E35-T38 PolarHBondContact O-OG1 3.11Å; E35-Q39 PolarHBondContact O-N 3.46Å; E35-Q39 PolarHBondContact OE1-NE2 3.27Å |
| 36 | A | 81 | Confident | 80.4 | Confident | 61 Ų | 61 | 106.6 Ų | 106.6 | 50% | 0.504 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -55.8 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I32 T38 Q39 A40 | I32-A36 WeakPolarHBondContact O-CB 3.31Å; I32-A36 PolarHBondContact O-N 3.08Å; I32-A36 VanDerWaalsContact O-N 3.12Å; A36-T38 PolarHBondContact O-N 2.91Å; A36-Q39 PolarHBondContact O-N 3.38Å; A36-A40 PolarHBondContact O-N 3.12Å |
| 37 | A | 85.4 | Confident | 79.8 | Confident | 62 Ų | 62 | 105.3 Ų | 105.3 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A33 K34 E35 Q39 A40 A41 | A33-A37 WeakPolarHBondContact O-CB 3.46Å; A33-A37 PolarHBondContact O-N 3.01Å; A33-A37 VanDerWaalsContact O-N 3.11Å; K34-A37 PolarHBondContact O-N 3.2Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.06Å; A37-Q39 PolarHBondContact O-N 3.34Å; A37-A40 PolarHBondContact O-N 3.35Å; A37-A41 PolarHBondContact O-N 2.87Å; A37-A41 VanDerWaalsContact O-N 3.08Å |
| 38 | T | 87.4 | Confident | 78.9 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.5 | -34.2 | 179.5 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | K34 E35 A36 K42 | K34-T38 WeakPolarHBondContact O-CG2 3.42Å; K34-T38 PolarHBondContact O-N 3.5Å; K34-T38 VanDerWaalsContact O-N 3.15Å; E35-T38 PolarHBondContact O-N 3.37Å; E35-T38 PolarHBondContact O-OG1 3.11Å; A36-T38 PolarHBondContact O-N 2.91Å; T38-K42 WeakPolarHBondContact O-CG 3.45Å; T38-K42 PolarHBondContact O-N 3.47Å |
| 39 | Q | 84.5 | Confident | 78.2 | Confident | 91 Ų | 91 | 102.2 Ų | 102.2 | 43% | 0.425 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | 173.7 | -67.9 | -159.5 | 29.8 | 0 | 0 | 112.2 | E35 A36 A37 K42 K43 | E35-Q39 PolarHBondContact O-N 3.46Å; E35-Q39 PolarHBondContact OE1-NE2 3.27Å; A36-Q39 PolarHBondContact O-N 3.38Å; A37-Q39 PolarHBondContact O-N 3.34Å; Q39-K42 PolarHBondContact O-N 2.98Å; Q39-K43 PolarHBondContact O-N 3.17Å |
| 40 | A | 77.5 | Confident | 77.2 | Confident | 61 Ų | 61 | 107.7 Ų | 107.7 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.6 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A36 A37 K42 K43 A44 | A36-A40 PolarHBondContact O-N 3.12Å; A37-A40 PolarHBondContact O-N 3.35Å; A40-K42 VanDerWaalsContact C-N 3.35Å; A40-K42 PolarHBondContact O-N 2.92Å; A40-K43 PolarHBondContact O-N 3.32Å; A40-K43 VanDerWaalsContact O-N 3.1Å; A40-A44 PolarHBondContact O-N 3.13Å |
| 41 | A | 82.9 | Confident | 76.1 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.4 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A37 K43 A44 K45 | A37-A41 PolarHBondContact O-N 2.87Å; A37-A41 VanDerWaalsContact O-N 3.08Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.02Å; A41-A44 PolarHBondContact O-N 3.4Å; A41-K45 PolarHBondContact O-N 2.89Å |
| 42 | K | 81.6 | Confident | 74.8 | Confident | 153 Ų | 153 | 106.2 Ų | 106.2 | 67% | 0.665 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.8 | -33.1 | 176.3 | -75.7 | 172.5 | 179.8 | 172.7 | 0 | 112.9 | T38 Q39 A40 | T38-K42 WeakPolarHBondContact O-CG 3.45Å; T38-K42 PolarHBondContact O-N 3.47Å; Q39-K42 PolarHBondContact O-N 2.98Å; A40-K42 VanDerWaalsContact C-N 3.35Å; A40-K42 PolarHBondContact O-N 2.92Å |
| 43 | K | 76.3 | Confident | 73.8 | Confident | 146 Ų | 146 | 106 Ų | 106 | 64% | 0.635 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.2 | -42.2 | 176.1 | -73.5 | 173.9 | -179.4 | 168.7 | 0 | 112.2 | Q39 A40 A41 K45 K46 | Q39-K43 PolarHBondContact O-N 3.17Å; A40-K43 PolarHBondContact O-N 3.32Å; A40-K43 VanDerWaalsContact O-N 3.1Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.02Å; K43-K45 PolarHBondContact O-N 3Å; K43-K46 PolarHBondContact O-N 3.06Å |
| 44 | A | 72.6 | Confident | 72.6 | Confident | 65 Ų | 65 | 111.8 Ų | 111.8 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.6 | -48.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A40 A41 K46 Q47 A48 | A40-A44 PolarHBondContact O-N 3.13Å; A41-A44 PolarHBondContact O-N 3.4Å; A44-K46 PolarHBondContact O-N 2.92Å; A44-K46 VanDerWaalsContact O-N 3.14Å; A44-Q47 PolarHBondContact O-N 3.4Å; A44-A48 PolarHBondContact O-N 3.44Å |
| 45 | K | 75 | Confident | 71.2 | Confident | 178 Ų | 178 | 116.6 Ų | 116.6 | 77% | 0.774 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.3 | -26.3 | -178.7 | -164.1 | 168.3 | -176.6 | 173.9 | 0 | 113.5 | A41 K43 | A41-K45 PolarHBondContact O-N 2.89Å; K43-K45 PolarHBondContact O-N 3Å |
| 46 | K | 68.1 | Low | 69.8 | Low | 168 Ų | 168 | 115.1 Ų | 115.1 | 73% | 0.73 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.1 | -17.9 | 176.5 | -74.8 | -170.1 | 176.2 | -175.7 | 0 | 114.8 | K43 A44 | K43-K46 PolarHBondContact O-N 3.06Å; A44-K46 PolarHBondContact O-N 2.92Å; A44-K46 VanDerWaalsContact O-N 3.14Å |
| 47 | Q | 66.1 | Low | 68.8 | Low | 134 Ų | 134 | 116.9 Ų | 116.9 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -90.6 | -31.7 | 176.5 | -71 | -156.7 | 13.7 | 0 | 0 | 113.5 | A44 K50 | A44-Q47 PolarHBondContact O-N 3.4Å; Q47-K50 PolarHBondContact O-N 3.38Å |
| 48 | A | 60.1 | Low | 67.4 | Low | 71 Ų | 71 | 123.2 Ų | 123.2 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60 | -49.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A44 K50 K51 | A44-A48 PolarHBondContact O-N 3.44Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 2.94Å; A48-K51 PolarHBondContact O-N 3.02Å; A48-K51 VanDerWaalsContact O-N 3.14Å |
| 49 | S | 61 | Low | 66 | Low | 75 Ų | 75 | 128.8 Ų | 128.8 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -61.2 | -32.9 | -176.8 | 55.6 | 0 | 0 | 0 | 0 | 114 | K51 | S49-K51 VanDerWaalsContact C-N 3.33Å; S49-K51 PolarHBondContact O-N 3.17Å |
| 50 | K | 59.4 | Low | 64.6 | Low | 175 Ų | 175 | 130 Ų | 130 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.4 | -13.4 | 178.7 | -82.8 | -170.1 | 172.7 | -176.2 | 0 | 114.8 | Q47 A48 | Q47-K50 PolarHBondContact O-N 3.38Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 2.94Å |
| 51 | K | 60.7 | Low | 63.2 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -93.7 | -25.4 | 179.2 | -74.3 | -177.6 | 178.2 | 173.9 | 0 | 114 | A48 S49 | A48-K51 PolarHBondContact O-N 3.02Å; A48-K51 VanDerWaalsContact O-N 3.14Å; S49-K51 VanDerWaalsContact C-N 3.33Å; S49-K51 PolarHBondContact O-N 3.17Å |
| 52 | A | 56.8 | Low | 61.7 | Low | 75 Ų | 75 | 140.1 Ų | 140.1 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -66.8 | -52.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K54 R55 | A52-K54 PolarHBondContact O-N 3.45Å; A52-R55 PolarHBondContact O-N 3.44Å |
| 53 | V | 57.4 | Low | 60.1 | Low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -28.7 | -172.9 | -178.1 | 0 | 0 | 0 | 0 | 113.3 | R55 | V53-R55 PolarHBondContact O-N 2.9Š|
| 54 | K | 58.7 | Low | 58.9 | Low | 182 Ų | 182 | 138.7 Ų | 138.7 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 0.4 | -176 | -104.1 | -174.6 | 177.5 | -175.9 | 0 | 116.1 | A52 | A52-K54 PolarHBondContact O-N 3.45Š|
| 55 | R | 59.5 | Low | 57.8 | Low | 223 Ų | 223 | 145.1 Ų | 145.1 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -15.9 | 176.6 | -77.7 | -168.7 | 169.1 | -164.6 | -4 | 115.3 | A52 V53 | A52-R55 PolarHBondContact O-N 3.44Å; V53-R55 PolarHBondContact O-N 2.9Å |
| 56 | A | 54.1 | Low | 56.8 | Low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -77 | -24.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K58 | A56-K58 PolarHBondContact O-N 3.31Š|
| 57 | S | 58.7 | Low | 56 | Low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 29.7 | -166.5 | 78.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 58 | K | 56.1 | Low | 55 | Low | 195 Ų | 195 | 146.1 Ų | 146.1 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 9.2 | -172.8 | -90.2 | -161.6 | 172.3 | -168 | 0 | 117.1 | A56 | A56-K58 PolarHBondContact O-N 3.31Š|
| 59 | Q | 59.7 | Low | 55 | Low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -115 | -4.8 | -173.1 | -161.5 | 162 | -19.6 | 0 | 0 | 115 | ||
| 60 | S | 54 | Low | 54.4 | Low | 116 Ų | 116 | 155 Ų | 155 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -104.3 | 124 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 61 | G | 48.6 | Very low | 54.1 | Low | 77 Ų | 77 | 155.8 Ų | 155.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 112.9 | 62.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 62 | R | 50.9 | Low | 53.4 | Low | 259 Ų | 259 | 154.1 Ų | 154.1 | 98% | 0.977 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 47.7 | 165.3 | -124.8 | 175 | -164.9 | -144 | 1.3 | 115.6 | ||||
| 63 | A | 48.4 | Very low | 53.4 | Low | 95 Ų | 95 | 158.1 Ų | 158.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -150.6 | 87.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 64 | L | 52 | Low | 53.3 | Low | 174 Ų | 174 | 157.5 Ų | 157.5 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -179.4 | 156.7 | 159.2 | -104.4 | 156.5 | 0 | 0 | 0 | 110.1 | ||||
| 65 | K | 49.4 | Very low | 52.8 | Low | 201 Ų | 201 | 155 Ų | 155 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 79.7 | 100 | -173.1 | -57.5 | -169.5 | 174.8 | -167.5 | 0 | 117.1 | ||||
| 66 | K | 52.1 | Low | 52.6 | Low | 208 Ų | 208 | 150.4 Ų | 150.4 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -179.8 | 86.4 | 145.4 | -106.8 | -175.5 | 179 | -170.2 | 0 | 111.1 | ||||
| 67 | T | 51.3 | Low | 52.5 | Low | 135 Ų | 135 | 156.6 Ų | 156.6 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | trans | -169.2 | 89.9 | 159.5 | 40.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 68 | D | 46.7 | Very low | 51.9 | Low | 158 Ų | 158 | 155.5 Ų | 155.5 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -138.6 | 128.5 | 165.9 | -69.9 | -68 | 0 | 0 | 0 | 106.2 | ||||
| 69 | K | 59.6 | Low | 51.4 | Low | 180 Ų | 180 | 151.7 Ų | 151.7 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | 123.3 | 142.2 | -169.4 | -82.6 | 176.7 | 162.7 | -81.7 | 0 | 110.5 | ||||
| 70 | E | 49.1 | Very low | 50.7 | Low | 152 Ų | 152 | 146.8 Ų | 146.8 | 71% | 0.71 | 83% | 0.827 | S | S | * | * | cis | -172.1 | 104.9 | -7.9 | 173.4 | 164 | -148.8 | 0 | 0 | 108.9 | ||||
| 71 | E | 51.8 | Low | 50.4 | Low | 192 Ų | 192 | 149 Ų | 149 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -152.5 | 159.3 | 170.1 | -140.3 | 160.2 | -151.6 | 0 | 0 | 110.9 | ||||
| 72 | T | 47.6 | Very low | 50.7 | Low | 120 Ų | 120 | 151.5 Ų | 151.5 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | -151.2 | 170.1 | -164.9 | -62.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 73 | I | 56.3 | Low | 50.7 | Low | 160 Ų | 160 | 143.4 Ų | 143.4 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | 82.6 | 130 | -176.4 | -48.5 | 159.3 | 0 | 0 | 0 | 110.5 | ||||
| 74 | S | 54.6 | Low | 50.6 | Low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -150.3 | 161.7 | 0.6 | 38 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 75 | P | 48.1 | Very low | 50.2 | Low | 131 Ų | 131 | 145.9 Ų | 145.9 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -96.8 | 145.1 | -176.5 | 36.4 | -33.5 | 0 | 0 | 0 | 115 | ||||
| 76 | S | 56 | Low | 50 | Low | 125 Ų | 125 | 145 Ų | 145 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -140.5 | 144.8 | 162.1 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 77 | K | 51.1 | Low | 49.6 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 152.2 | -162.5 | -59.6 | 164.6 | 179.4 | 173.5 | 0 | 115.4 | ||||
| 78 | G | 46.3 | Very low | 49.2 | Very low | 75 Ų | 75 | 145.3 Ų | 145.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 124.6 | 148.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 79 | S | 44.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -170.8 | 144.9 | -17.8 | -171.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 80 | A | 45.6 | Very low | 48.2 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 60.8 | 157 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 81 | E | 49 | Very low | 47.9 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | cis | -165.2 | 158 | -39.9 | -139.5 | 170.9 | -126.2 | 0 | 0 | 108.4 | ||||
| 82 | N | 54.4 | Low | 47.2 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | 65.2 | 146.2 | 161.7 | -63.5 | -50.7 | 0 | 0 | 0 | 118.7 | ||||
| 83 | S | 50.1 | Low | 46.9 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | cis | -159.1 | 157.2 | -20.3 | -125.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 84 | I | 47.5 | Very low | 46.2 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | 62.9 | 117.6 | 152.8 | -63 | 163 | 0 | 0 | 0 | 118.7 | ||||
| 85 | Q | 42.2 | Very low | 45.7 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 146.5 | 163.5 | -54.6 | 169.2 | 15 | 0 | 0 | 110.6 | ||||
| 86 | M | 46.8 | Very low | 45.3 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -133 | 121.5 | 152.5 | -99.3 | -64.4 | -169.6 | 0 | 0 | 110.6 | ||||
| 87 | K | 42.2 | Very low | 44.8 | Very low | 178 Ų | 178 | 154.9 Ų | 154.9 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 145.6 | 169.5 | -63.6 | 165.8 | -179.1 | 164.9 | 0 | 108.6 | ||||
| 88 | L | 43.1 | Very low | 44.6 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -155.7 | 136 | 140.7 | -111.6 | 165.9 | 0 | 0 | 0 | 110.9 | ||||
| 89 | K | 39.9 | Very low | 44.7 | Very low | 194 Ų | 194 | 157 Ų | 157 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -103.9 | 133.1 | 170.5 | -73.5 | -179.6 | 175.5 | -179.8 | 0 | 108.7 | ||||
| 90 | S | 46.5 | Very low | 44.9 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -158.4 | 101.2 | 156.3 | -72.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 91 | T | 42.1 | Very low | 45.1 | Very low | 123 Ų | 123 | 161.7 Ų | 161.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | 55.9 | 90.5 | 84.8 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 92 | E | 36 | Very low | 45.3 | Very low | 171 Ų | 171 | 160 Ų | 160 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | 45.8 | 109.1 | 122.9 | -172.6 | 176 | -167.5 | 0 | 0 | 118.5 | |||||
| 93 | R | 41.3 | Very low | 44.7 | Very low | 251 Ų | 251 | 163 Ų | 163 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -154.1 | 145.4 | 141.2 | -109.2 | 154.3 | -160.5 | -149.4 | 2.7 | 113.1 | ||||
| 94 | Q | 42.6 | Very low | 44.6 | Very low | 154 Ų | 154 | 163.5 Ų | 163.5 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -77.1 | 164.3 | -165.8 | -46.9 | 165.6 | -13.9 | 0 | 0 | 114.4 | ||||
| 95 | N | 43.5 | Very low | 44.5 | Very low | 137 Ų | 137 | 163.3 Ų | 163.3 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | 62.9 | 156.5 | 143.6 | -68.9 | -35.1 | 0 | 0 | 0 | 117.4 | ||||
| 96 | K | 40.7 | Very low | 44.6 | Very low | 172 Ų | 172 | 161.5 Ų | 161.5 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | cis | -152.9 | 153.9 | -10.5 | -135.6 | 178.9 | 177.3 | -176.4 | 0 | 105.7 | ||||
| 97 | F | 44.9 | Very low | 44.5 | Very low | 214 Ų | 214 | 158.2 Ų | 158.2 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -120 | 137 | 160.9 | -120.5 | -89.9 | 0 | 0 | 0 | 109.8 | ||||
| 98 | E | 47.5 | Very low | 44.8 | Very low | 171 Ų | 171 | 157.8 Ų | 157.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -91.6 | 161.3 | -170.6 | -59.9 | -172.1 | 117.8 | 0 | 0 | 111.9 | ||||
| 99 | N | 47.8 | Very low | 45 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -147 | 130.4 | 172.5 | -155.9 | -0.6 | 0 | 0 | 0 | 109.2 | ||||
| 100 | S | 49.6 | Very low | 45.5 | Very low | 107 Ų | 107 | 154 Ų | 154 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -103.2 | 133.2 | -154.3 | -49.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 101 | Q | 49.8 | Very low | 45.1 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -144.5 | 140.8 | 155.3 | -80.3 | -152 | -59.8 | 0 | 0 | 111.3 | ||||
| 102 | P | 52.7 | Low | 45.5 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -83.3 | 157.9 | 177.7 | 34.2 | -35.1 | 0 | 0 | 0 | 113.1 | ||||
| 103 | K | 41.2 | Very low | 45.6 | Very low | 193 Ų | 193 | 156.5 Ų | 156.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -93 | 153.9 | 167.6 | -76.3 | 179.6 | 173.5 | 179.9 | 0 | 111.3 | ||||
| 104 | A | 48.6 | Very low | 45.7 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -161.6 | 163.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 105 | E | 44.7 | Very low | 45.7 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | -157.4 | 174.1 | -61.9 | -143.9 | 167.1 | -151.5 | 0 | 0 | 108.5 | |||||
| 106 | N | 44.6 | Very low | 45.4 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | 69.7 | 152.5 | 161.3 | -59.3 | -19 | 0 | 0 | 0 | 119.6 | ||||
| 107 | T | 45 | Very low | 45.8 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | -163.9 | 179.1 | -55.5 | 13.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 108 | E | 48.3 | Very low | 46.1 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 87 | 102.8 | 174.2 | -56.8 | 179.2 | -171.5 | 0 | 0 | 114.1 | ||||
| 109 | N | 48.3 | Very low | 46.3 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | 65.4 | 123.7 | 61.3 | -53.3 | -27.5 | 0 | 0 | 0 | 110.6 | |||||
| 110 | T | 50.2 | Low | 46.4 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | cis | -143.8 | 159.3 | 49.2 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 111 | S | 37.6 | Very low | 45.9 | Very low | 96 Ų | 96 | 149.8 Ų | 149.8 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -123.3 | 135.7 | -176.9 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 112 | L | 50.6 | Low | 45.5 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -127.6 | 121 | 163.1 | -86.3 | 171.7 | 0 | 0 | 0 | 109.5 | ||||
| 113 | K | 39.1 | Very low | 44.9 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | trans | -99.3 | 143.3 | 170.5 | -59.8 | 171.2 | -179.3 | 171.8 | 0 | 108.5 | ||||
| 114 | L | 43.3 | Very low | 45 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -155.2 | 141.9 | 151.3 | -120.4 | 135 | 0 | 0 | 0 | 114.3 | ||||
| 115 | S | 42.4 | Very low | 44.6 | Very low | 86 Ų | 86 | 150.2 Ų | 150.2 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | trans | 37.3 | 104.6 | 161.2 | 56.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 116 | T | 36.3 | Very low | 44.5 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | trans | -53.9 | 132.6 | 144.6 | 3.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 117 | V | 49.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -128.1 | 136.5 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 118 | K | 49.9 | Very low | 44.3 | Very low | 192 Ų | 192 | 155.1 Ų | 155.1 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 141.3 | -179.4 | -61.6 | 178.4 | -178.7 | 178 | 0 | 110.7 | K120 | K118-K120 PolarHBondContact O-N 3.4Š|
| 119 | P | 52.9 | Low | 43.9 | Very low | 129 Ų | 129 | 154.7 Ų | 154.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.4 | 168.2 | 28.7 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 120 | K | 49 | Very low | 43.8 | Very low | 186 Ų | 186 | 155.2 Ų | 155.2 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 136.9 | 165 | -79.8 | -174.4 | 174.8 | -178.7 | 0 | 108.9 | K118 | K118-K120 PolarHBondContact O-N 3.4Š|
| 121 | Q | 39.7 | Very low | 43.3 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.5 | 165.1 | -67.9 | 169.1 | -38 | 0 | 0 | 108.9 | ||
| 122 | F | 41.5 | Very low | 43.8 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -113.8 | 125.4 | 160.2 | -101.8 | -91 | 0 | 0 | 0 | 108.2 | ||||
| 123 | K | 40.1 | Very low | 43.7 | Very low | 189 Ų | 189 | 158.8 Ų | 158.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -82.9 | 138.9 | 155.4 | -67 | -178.3 | 175.8 | -174.5 | 0 | 106.9 | ||||
| 124 | C | 42.8 | Very low | 43.7 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -130.2 | 127.3 | 161.7 | -63.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 125 | D | 40.8 | Very low | 44 | Very low | 142 Ų | 142 | 159 Ų | 159 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 143.4 | -170.1 | -57.5 | -72.7 | 0 | 0 | 0 | 112.3 | N127 | D125-N127 PolarHBondContact O-N 3.28Š| ||
| 126 | E | 41.1 | Very low | 44 | Very low | 193 Ų | 193 | 160.8 Ų | 160.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -79 | 97.6 | 176.8 | -66.1 | -176 | 149.5 | 0 | 0 | 110.2 | ||||
| 127 | N | 40.3 | Very low | 44.6 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -143.3 | 96.9 | 166.1 | -88 | -54.3 | 0 | 0 | 0 | 109.7 | D125 | D125-N127 PolarHBondContact O-N 3.28Š| ||
| 128 | L | 46.3 | Very low | 44.3 | Very low | 149 Ų | 149 | 161.8 Ų | 161.8 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | -143.7 | 89.8 | 169.8 | -127.2 | 162.4 | 0 | 0 | 0 | 110.2 | F130 | L128-F130 HydrophobicContact CD2-CD2 4.48Å; L128-F130 HydrophobicContact CD2-CE2 4.06Å; L128-F130 PolarHBondContact O-N 3.47Å | ||
| 129 | E | 40.2 | Very low | 44.1 | Very low | 159 Ų | 159 | 158.8 Ų | 158.8 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -67.9 | 117.2 | -176.5 | -177.8 | 170.5 | -148.7 | 0 | 0 | 111.5 | H131 | E129-H131 IonicContact OE1-CE1 3.1Š| ||
| 130 | F | 46.6 | Very low | 43.7 | Very low | 157 Ų | 157 | 157.6 Ų | 157.6 | 69% | 0.689 | 80% | 0.799 | S | S | * | * | trans | -111.3 | 94.7 | 174.7 | -96.3 | -80.2 | 0 | 0 | 0 | 111.1 | L128 Y132 | L128-F130 HydrophobicContact CD2-CD2 4.48Å; L128-F130 HydrophobicContact CD2-CE2 4.06Å; L128-F130 PolarHBondContact O-N 3.47Å; F130-Y132 HydrophobicContact CB-CE2 4.5Å; F130-Y132 PolarHBondContact O-N 3.41Å | ||
| 131 | H | 39.3 | Very low | 43.7 | Very low | 156 Ų | 156 | 158.5 Ų | 158.5 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -60.2 | 120.9 | 168 | -67.4 | -72.7 | 0 | 0 | 0 | 110.9 | E129 | E129-H131 IonicContact OE1-CE1 3.1Š| ||
| 132 | Y | 47 | Very low | 44 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -109.1 | 123.3 | 158 | -85.5 | -87.3 | 0 | 0 | 0 | 109.1 | F130 T134 | F130-Y132 HydrophobicContact CB-CE2 4.5Å; F130-Y132 PolarHBondContact O-N 3.41Å; Y132-T134 PolarHBondContact O-N 2.93Å | ||
| 133 | S | 48.8 | Very low | 44.2 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -76.4 | 119.3 | -168.3 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | R135 | S133-R135 PolarHBondContact O-N 3.46Š| ||
| 134 | T | 38.9 | Very low | 44.5 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | -76.7 | 116.9 | 177.2 | -41.1 | 0 | 0 | 0 | 0 | 110.4 | Y132 N136 | Y132-T134 PolarHBondContact O-N 2.93Å; T134-N136 WeakPolarHBondContact CG2-OD1 3.41Å | ||
| 135 | R | 51 | Low | 44.5 | Very low | 238 Ų | 238 | 150.2 Ų | 150.2 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -106.6 | 106.4 | 164.5 | -158.1 | 172.4 | -166.1 | 157.2 | 5.7 | 109.3 | S133 | S133-R135 PolarHBondContact O-N 3.46Š| ||
| 136 | N | 42.3 | Very low | 44.7 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | -72.6 | 140.1 | 176.3 | -59.5 | -36.1 | 0 | 0 | 0 | 110.1 | T134 | T134-N136 WeakPolarHBondContact CG2-OD1 3.41Š| ||
| 137 | D | 48.7 | Very low | 45.1 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -142.4 | 126 | 147.9 | -99.6 | -48 | 0 | 0 | 0 | 108.3 | ||||
| 138 | T | 42.4 | Very low | 45.1 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -101 | 126.6 | -169.7 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 139 | S | 46.9 | Very low | 45.5 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -144.2 | 129.9 | 162.5 | -161.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 140 | S | 44.8 | Very low | 45.8 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -99 | 142.6 | -168.8 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 141 | K | 49.1 | Very low | 46.2 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -168.2 | 147.2 | 131 | -100.7 | 144.4 | -167.9 | 172.4 | 0 | 112.5 | ||||
| 142 | S | 44.3 | Very low | 46.6 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.3 | -170.1 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 143 | P | 47.2 | Very low | 46.8 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 120.1 | 159.1 | 32.9 | -28.4 | 0 | 0 | 0 | 110.3 | ||
| 144 | L | 45.9 | Very low | 47.4 | Very low | 162 Ų | 162 | 152 Ų | 152 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 136.9 | 166.8 | -88.8 | 166 | 0 | 0 | 0 | 110.3 | ||
| 145 | S | 42.3 | Very low | 48.5 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 136.6 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 146 | F | 45.3 | Very low | 48.8 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -139.5 | 130.7 | 162.9 | -111.5 | -77.7 | 0 | 0 | 0 | 114 | ||||
| 147 | V | 49.5 | Very low | 49.2 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 71% | 0.709 | 82% | 0.823 | S | S | * | * | trans | -58.2 | 135 | -173.4 | 174.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 148 | A | 40.5 | Very low | 49.6 | Very low | 98 Ų | 98 | 152.5 Ų | 152.5 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -70.7 | 128.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 149 | K | 55.2 | Low | 50.4 | Low | 195 Ų | 195 | 154.2 Ų | 154.2 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -128.9 | 107.6 | 164.7 | -74.9 | -174.2 | 177.7 | 177.2 | 0 | 109.8 | ||||
| 150 | S | 46.4 | Very low | 50.9 | Low | 121 Ų | 121 | 153.6 Ų | 153.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -85.4 | 132 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 151 | K | 54 | Low | 51.1 | Low | 201 Ų | 201 | 155 Ų | 155 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -118.7 | 120.8 | 164.6 | -83.2 | -169.7 | 173 | -176.4 | 0 | 109.3 | ||||
| 152 | K | 47.8 | Very low | 51 | Low | 217 Ų | 217 | 151 Ų | 151 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 121.8 | 169.4 | -74.9 | 175.5 | 176.2 | 170.8 | 0 | 109 | ||||
| 153 | T | 52.7 | Low | 50.9 | Low | 127 Ų | 127 | 151.5 Ų | 151.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 120.1 | 164.4 | -43.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 154 | K | 60.9 | Low | 51 | Low | 195 Ų | 195 | 151.4 Ų | 151.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129.4 | 175.2 | -68.8 | -178.6 | 177.5 | -179 | 0 | 109.6 | ||
| 155 | P | 61.1 | Low | 50.9 | Low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.7 | 158.4 | 30.8 | -31.5 | 0 | 0 | 0 | 109.5 | ||
| 156 | K | 56.9 | Low | 51 | Low | 198 Ų | 198 | 152.4 Ų | 152.4 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 125.9 | 163.8 | -76 | -176.9 | 175.7 | -179.9 | 0 | 108 | ||
| 157 | L | 51.7 | Low | 51 | Low | 139 Ų | 139 | 147.7 Ų | 147.7 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 145.4 | 160.3 | -100.2 | 74.1 | 0 | 0 | 0 | 109.5 | F159 | L157-F159 HydrophobicContact CD2-CE2 3.72Å; L157-F159 HydrophobicContact CD2-CZ 3.82Å |
| 158 | K | 57.9 | Low | 51.1 | Low | 198 Ų | 198 | 145.7 Ų | 145.7 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -128.4 | 124.6 | 158.2 | -76.6 | -172.6 | 174 | -173.5 | 0 | 107.2 | ||||
| 159 | F | 57.7 | Low | 51.5 | Low | 173 Ų | 173 | 147.3 Ų | 147.3 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | -98.1 | 128.2 | 162.3 | -70.4 | -75.9 | 0 | 0 | 0 | 108.2 | L157 | L157-F159 HydrophobicContact CD2-CE2 3.72Å; L157-F159 HydrophobicContact CD2-CZ 3.82Å | ||
| 160 | P | 58.9 | Low | 50.9 | Low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -88.1 | 120.1 | 163.1 | 32.2 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 161 | T | 47.9 | Very low | 51.1 | Low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -105.7 | 106.1 | 172 | -45.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 162 | T | 48 | Very low | 50.8 | Low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -104.8 | 92.8 | -178.6 | 50.6 | 0 | 0 | 0 | 0 | 111 | V164 | T162-V164 PolarHBondContact O-N 2.93Š| ||
| 163 | S | 40.5 | Very low | 50.9 | Low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -82.3 | 101.4 | 166 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | L165 | S163-L165 PolarHBondContact O-N 3.32Š| ||
| 164 | V | 49.2 | Very low | 50.6 | Low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -86.3 | 105.2 | 173 | 179.4 | 0 | 0 | 0 | 0 | 109 | T162 | T162-V164 PolarHBondContact O-N 2.93Š| ||
| 165 | L | 43.8 | Very low | 49.9 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -77.4 | 130.7 | 156.6 | -75.2 | 165.3 | 0 | 0 | 0 | 107.9 | S163 | S163-L165 PolarHBondContact O-N 3.32Š| ||
| 166 | S | 45.6 | Very low | 49.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -137.1 | 131.9 | 166.1 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 167 | A | 45.6 | Very low | 48.7 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -108.7 | 138 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 168 | G | 51.6 | Low | 48.2 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -161.7 | 123.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 169 | P | 47.9 | Very low | 48.2 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -107.6 | 159.5 | -157.8 | 39 | -35.7 | 0 | 0 | 0 | 115.6 | ||||
| 170 | G | 43.6 | Very low | 48.1 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 98.3 | 100.4 | 131.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 171 | I | 50.3 | Low | 47.7 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -132.8 | 137 | 139.6 | -60.6 | -176.8 | 0 | 0 | 0 | 106.8 | ||||
| 172 | Q | 47.1 | Very low | 48.1 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -99.2 | 133.5 | 175.6 | -54.6 | 173.8 | 20.4 | 0 | 0 | 109.8 | ||||
| 173 | I | 50.6 | Low | 47.8 | Very low | 164 Ų | 164 | 133 Ų | 133 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -141 | 152 | 153.1 | -61.6 | -172.4 | 0 | 0 | 0 | 107.8 | ||||
| 174 | E | 46.7 | Very low | 48.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | trans | -76.9 | 154.6 | -162.5 | -64.2 | 174.1 | 82.6 | 0 | 0 | 117.3 | ||||
| 175 | N | 44.4 | Very low | 48.2 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 26.9 | 124.2 | 133.5 | -51.2 | -37.8 | 0 | 0 | 0 | 119.8 | ||||
| 176 | T | 44.6 | Very low | 48 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | -175.1 | 118 | 113 | -76.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 177 | Q | 49.2 | Very low | 48.2 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 37 | 119.4 | 143.4 | -151.9 | 163.6 | 26.6 | 0 | 0 | 122.2 | ||||
| 178 | T | 41.4 | Very low | 47.7 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82 | 138.2 | 172.3 | -23.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 179 | P | 58.6 | Low | 47.5 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 144.9 | 164 | 34.7 | -31 | 0 | 0 | 0 | 112.9 | ||
| 180 | A | 55.5 | Low | 47.4 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 161.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 181 | P | 49.8 | Very low | 47.5 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138.1 | -170.8 | 28 | -35.4 | 0 | 0 | 0 | 113.9 | T183 | P181-T183 PolarHBondContact O-N 3.49Š|
| 182 | I | 56.3 | Low | 47.1 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 114.6 | -176.5 | -61.8 | 174.7 | 0 | 0 | 0 | 111 | R184 | I182-R184 HydrophobicContact CG2-CG 4.42Š| ||
| 183 | T | 40.9 | Very low | 46.8 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | trans | -86.1 | 127 | 166 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | P181 | P181-T183 PolarHBondContact O-N 3.49Š| ||
| 184 | R | 52.7 | Low | 46.6 | Very low | 237 Ų | 237 | 144.3 Ų | 144.3 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -100.8 | 111.4 | 171.6 | -78.3 | -173.9 | 170.7 | -177.4 | -2.5 | 111.8 | I182 | I182-R184 HydrophobicContact CG2-CG 4.42Š| ||
| 185 | R | 45 | Very low | 46.4 | Very low | 226 Ų | 226 | 143.2 Ų | 143.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -88 | 118 | 159.1 | -83.7 | -177.7 | 178.4 | -178.1 | -0.8 | 107.4 | ||||
| 186 | S | 40.7 | Very low | 46.5 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 77.4 | 107.8 | 77.2 | 78.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 187 | T | 49.9 | Very low | 46.3 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -140.1 | 118.2 | 155.1 | 45.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 188 | S | 35.6 | Very low | 46.3 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -86.8 | 165.5 | 170.6 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 189 | P | 46.9 | Very low | 46.3 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | -129.7 | 161.7 | 105.3 | 36.9 | -30.5 | 0 | 0 | 0 | 113.8 | |||||
| 190 | A | 44.6 | Very low | 45.7 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 163.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 191 | N | 45.6 | Very low | 45.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | -164.8 | 143.4 | 110.1 | -92.2 | -26.1 | 0 | 0 | 0 | 113.7 | |||||
| 192 | H | 42.9 | Very low | 44.9 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 6.5 | 119.4 | 169.6 | -51.7 | -75.4 | 0 | 0 | 0 | 120.1 | ||||
| 193 | L | 40.6 | Very low | 44.3 | Very low | 146 Ų | 146 | 145 Ų | 145 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | 57.6 | 103.4 | 72.5 | -84.7 | 163.5 | 0 | 0 | 0 | 115.9 | |||||
| 194 | K | 46.6 | Very low | 44.4 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | -171.4 | 136.6 | 111.5 | -105.9 | 174 | -179.3 | 178.3 | 0 | 112.9 | |||||
| 195 | D | 43.1 | Very low | 44 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 139.4 | 171.6 | -51.6 | -87.7 | 0 | 0 | 0 | 111.9 | ||||
| 196 | I | 45.7 | Very low | 43.8 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -136.6 | 95.9 | 158 | -55.8 | -178.8 | 0 | 0 | 0 | 108.3 | T198 | I196-T198 HydrophobicContact CG2-CG2 3.83Š| ||
| 197 | S | 40.8 | Very low | 44.1 | Very low | 123 Ų | 123 | 147 Ų | 147 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -91.1 | 104.4 | 165.3 | -73.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 198 | T | 48.8 | Very low | 43.7 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | trans | -130.4 | 108 | 172.9 | 50.3 | 0 | 0 | 0 | 0 | 111 | I196 | I196-T198 HydrophobicContact CG2-CG2 3.83Š| ||
| 199 | T | 41.4 | Very low | 44.1 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -68.8 | 124.2 | 163.5 | 47.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 200 | S | 46.3 | Very low | 44 | Very low | 101 Ų | 101 | 154.4 Ų | 154.4 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -137.3 | 126.2 | 165.1 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 201 | A | 45.3 | Very low | 44.2 | Very low | 84 Ų | 84 | 159.8 Ų | 159.8 | 69% | 0.694 | 83% | 0.828 | S | S | * | * | trans | -73.2 | -166.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 202 | D | 43.4 | Very low | 44.6 | Very low | 157 Ų | 157 | 158.9 Ų | 158.9 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | 61.5 | 70.2 | 167.6 | -56.8 | -22.4 | 0 | 0 | 0 | 116.8 | ||||
| 203 | R | 43.5 | Very low | 44.7 | Very low | 237 Ų | 237 | 159.9 Ų | 159.9 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | -130.9 | 57.6 | 148.6 | -66.2 | -163.7 | -167.5 | -171.3 | 7 | 112 | ||||
| 204 | F | 42.6 | Very low | 45 | Very low | 201 Ų | 201 | 160.8 Ų | 160.8 | 88% | 0.882 | 84% | 0.837 | S | S | * | * | trans | -114.1 | 153.6 | 159.8 | -90.6 | -91.7 | 0 | 0 | 0 | 108.7 | ||||
| 205 | L | 45.1 | Very low | 45.1 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 86.3 | 50.3 | 175.1 | -51.8 | 171.1 | 0 | 0 | 0 | 119.3 | ||
| 206 | E | 40.5 | Very low | 45 | Very low | 189 Ų | 189 | 158.4 Ų | 158.4 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -150.1 | 39.8 | 159.9 | -141.2 | 166.6 | -153.8 | 0 | 0 | 118.1 | ||||
| 207 | L | 45.8 | Very low | 45.2 | Very low | 171 Ų | 171 | 160.3 Ų | 160.3 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -138.2 | 59.3 | 170.9 | -77.4 | 178.3 | 0 | 0 | 0 | 112.9 | ||
| 208 | N | 43.4 | Very low | 45.3 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -147.9 | 37.1 | 177.6 | -88.4 | -58.1 | 0 | 0 | 0 | 114 | ||||
| 209 | Q | 43.5 | Very low | 45.6 | Very low | 194 Ų | 194 | 160.5 Ų | 160.5 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -136.7 | 51.4 | 177.8 | -71.6 | -153.7 | 85.9 | 0 | 0 | 114.6 | ||||
| 210 | L | 44.4 | Very low | 45.6 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -139.5 | 100.5 | 161 | -74.4 | 178.8 | 0 | 0 | 0 | 110.4 | ||||
| 211 | Q | 49.7 | Very low | 45.6 | Very low | 191 Ų | 191 | 161.6 Ų | 161.6 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -119.7 | 122.7 | 161.1 | -78.5 | -163.4 | -41.8 | 0 | 0 | 108.7 | K213 | Q211-K213 PolarHBondContact O-N 3.39Š| ||
| 212 | P | 53 | Low | 45.6 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | trans | -72.5 | 122.8 | 166.6 | 29.6 | -31 | 0 | 0 | 0 | 109.1 | ||||
| 213 | K | 45.5 | Very low | 45.8 | Very low | 180 Ų | 180 | 168.1 Ų | 168.1 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | -66.9 | 142.8 | 155.4 | -78.9 | -173.1 | 174 | -172.4 | 0 | 108.3 | Q211 | Q211-K213 PolarHBondContact O-N 3.39Š| ||
| 214 | L | 47.4 | Very low | 45.9 | Very low | 165 Ų | 165 | 166.3 Ų | 166.3 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -138.2 | 96.7 | 169.8 | -133.6 | 164.7 | 0 | 0 | 0 | 105.8 | ||||
| 215 | D | 47.3 | Very low | 45.9 | Very low | 131 Ų | 131 | 161.1 Ų | 161.1 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -73.2 | 143.1 | -175.2 | -66.3 | -59.7 | 0 | 0 | 0 | 110.6 | ||||
| 216 | L | 41.2 | Very low | 46 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -113.5 | 82.6 | -167.3 | -169.6 | 78.9 | 0 | 0 | 0 | 110.8 | ||||
| 217 | E | 50 | Low | 46.3 | Very low | 186 Ų | 186 | 158.3 Ų | 158.3 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -68.8 | 140.9 | 173.2 | -69.6 | -141.6 | 139.1 | 0 | 0 | 112 | ||||
| 218 | T | 43.2 | Very low | 46.4 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -136.2 | 107.1 | -178.4 | -55.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 219 | P | 54.7 | Low | 46.6 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 123.6 | 176.6 | -10.7 | 28.2 | 0 | 0 | 0 | 111.9 | ||||
| 220 | S | 40.9 | Very low | 46.8 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | trans | -122.1 | 100 | -176.2 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 221 | H | 48 | Very low | 46.8 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -143.9 | 125.1 | 163.5 | -66.8 | -52.5 | 0 | 0 | 0 | 108.1 | ||||
| 222 | I | 45.2 | Very low | 46.6 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | cis | 74.5 | 85.8 | 34.3 | -47.4 | 179.2 | 0 | 0 | 0 | 114.3 | ||||
| 223 | R | 47.2 | Very low | 46 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -168.3 | 108.7 | 141.5 | -99.9 | 161.2 | -167.4 | -151.8 | 3.3 | 107.8 | ||||
| 224 | K | 45.8 | Very low | 46 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | 73.1 | 99.7 | 86.4 | -75.5 | -170.9 | 176.2 | -173.2 | 0 | 114.7 | |||||
| 225 | A | 42.9 | Very low | 45.5 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -79.3 | 178.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 226 | P | 47.1 | Very low | 45.3 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | -157.1 | 176.7 | 60.7 | 45.1 | -25.1 | 0 | 0 | 0 | 118.5 | |||||
| 227 | K | 46.1 | Very low | 45.4 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | 63.5 | 153.1 | 156 | -68.6 | 160.7 | -174.5 | -176.8 | 0 | 117.4 | ||||
| 228 | S | 48.3 | Very low | 44.9 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -163.7 | -157.3 | -19.4 | 52.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 229 | S | 47.5 | Very low | 45 | Very low | 85 Ų | 85 | 149.8 Ų | 149.8 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | cis | -172.7 | 160.3 | 1.7 | 16.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 230 | T | 47.9 | Very low | 44.3 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | 60.4 | 143.8 | 158 | 52.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 231 | D | 43.3 | Very low | 44.4 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | -163.5 | -170.4 | -4.6 | -110.3 | -20.3 | 0 | 0 | 0 | 112 | ||||
| 232 | F | 45.4 | Very low | 44.1 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 80% | 0.803 | 79% | 0.786 | S | S | * | * | trans | 89.1 | 72.5 | 165.3 | -70.5 | -80.4 | 0 | 0 | 0 | 120.7 | ||||
| 233 | I | 40.2 | Very low | 43.9 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | 26 | 114.5 | 114.3 | -50.7 | 172.8 | 0 | 0 | 0 | 117.5 | |||||
| 234 | R | 45.5 | Very low | 43.6 | Very low | 243 Ų | 243 | 149.3 Ų | 149.3 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | -151.4 | 123.1 | 129 | -145 | 172.8 | -165.6 | 167.3 | 6 | 113.1 | |||||
| 235 | T | 38.1 | Very low | 43.1 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -78.3 | 144.1 | 169 | 29.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 236 | V | 43.1 | Very low | 42.9 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -155.6 | 126.9 | 130.7 | -176.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 237 | S | 42.7 | Very low | 42.3 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 50.6 | 155 | 156.5 | -58.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 238 | Y | 40.1 | Very low | 41.9 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -94.2 | 152.3 | 174.3 | -70.2 | -116.1 | 0 | 0 | 0 | 111 | ||||
| 239 | D | 44.7 | Very low | 41.4 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | -143.7 | 144.2 | 127.1 | -113.1 | -36.3 | 0 | 0 | 0 | 108.5 | |||||
| 240 | S | 39.4 | Very low | 40.9 | Very low | 98 Ų | 98 | 156.5 Ų | 156.5 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | -113.6 | 87.2 | -159.3 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 241 | E | 43.6 | Very low | 40.7 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -83.7 | 116.7 | 163.7 | -65.1 | -158.8 | 140 | 0 | 0 | 110.4 | E243 | E241-E243 PolarHBondContact O-N 2.92Š| ||
| 242 | T | 41.9 | Very low | 40.8 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -87.9 | 85.1 | -177.6 | -55 | 0 | 0 | 0 | 0 | 110.9 | Q244 | T242-Q244 PolarHBondContact O-N 3.45Š| ||
| 243 | E | 40.2 | Very low | 40.9 | Very low | 186 Ų | 186 | 152 Ų | 152 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 110 | 167 | -70.2 | -154.6 | 133.6 | 0 | 0 | 110.6 | E241 | E241-E243 PolarHBondContact O-N 2.92Š| ||
| 244 | Q | 40.6 | Very low | 41.4 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 134.4 | 168.7 | -84.9 | -163.2 | -20.3 | 0 | 0 | 111.2 | T242 L246 | T242-Q244 PolarHBondContact O-N 3.45Å; Q244-L246 PolarHBondContact O-N 2.8Å | ||
| 245 | P | 37.3 | Very low | 41.8 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -69.8 | 132.3 | 180 | 28.1 | -34.4 | 0 | 0 | 0 | 111.7 | S247 | P245-S247 PolarHBondContact O-N 3.46Š| ||
| 246 | L | 37.4 | Very low | 42.7 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 97.8 | 172.2 | -88.6 | 75.5 | 0 | 0 | 0 | 110.2 | Q244 | Q244-L246 PolarHBondContact O-N 2.8Š| ||
| 247 | S | 34 | Very low | 43.4 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -154.3 | 94.9 | 177.5 | -80.5 | 0 | 0 | 0 | 0 | 112.3 | P245 | P245-S247 PolarHBondContact O-N 3.46Š| ||
| 248 | Q | 37.7 | Very low | 44 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | 168.5 | 156.4 | 130.3 | -89.9 | 169.1 | 25 | 0 | 0 | 111.4 | ||||
| 249 | S | 39.5 | Very low | 44.4 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -82.9 | 159.3 | -171.8 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | Q251 | S249-Q251 PolarHBondContact O-N 2.98Š| ||
| 250 | R | 37.1 | Very low | 44.8 | Very low | 251 Ų | 251 | 145.5 Ų | 145.5 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 89.1 | 174.5 | -70.4 | -179.9 | 174.4 | -179.4 | -1.8 | 111.6 | ||||
| 251 | Q | 43 | Very low | 45.5 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -80.3 | 136.4 | 159.4 | -74.4 | -68.9 | -10 | 0 | 0 | 110.1 | S249 | S249-Q251 PolarHBondContact O-N 2.98Š| ||
| 252 | P | 45.3 | Very low | 46.2 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | trans | -64.7 | 144.4 | 168.5 | -18.4 | 32.1 | 0 | 0 | 0 | 111.1 | L254 | P252-L254 PolarHBondContact O-N 3.47Š| ||
| 253 | G | 46.6 | Very low | 47.2 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -73.6 | 62.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 254 | L | 51.5 | Low | 49.1 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 51% | 0.513 | 76% | 0.758 | S | S | . | * | trans | -106.2 | 36.1 | -177.1 | -91 | 165.8 | 0 | 0 | 0 | 113.4 | P252 E275 | P252-L254 PolarHBondContact O-N 3.47Å; L254-E275 HydrophobicContact CD1-CG 4.47Å | ||
| 255 | I | 52.7 | Low | 51.1 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -129.4 | 65.4 | 177.6 | -44.8 | 179.4 | 0 | 0 | 0 | 110.4 | ||||
| 256 | K | 57.7 | Low | 53.2 | Low | 201 Ų | 201 | 140.4 Ų | 140.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -145.4 | 17.6 | 171.1 | -76.6 | -155.1 | 172.5 | -167 | 0 | 114.4 | ||
| 257 | V | 57.6 | Low | 55.5 | Low | 138 Ų | 138 | 136 Ų | 136 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | -141.7 | 49 | -178 | -160.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 258 | I | 55.2 | Low | 57.9 | Low | 126 Ų | 126 | 133.8 Ų | 133.8 | 65% | 0.646 | 71% | 0.71 | S | S | * | * | trans | -139 | 60.2 | 168.9 | -43.6 | 178.8 | 0 | 0 | 0 | 109.5 | L268 | I258-L268 HydrophobicContact CD1-CD1 4.25Å; I258-L268 HydrophobicContact CD1-CD2 4.1Å | ||
| 259 | D | 50.1 | Low | 60.4 | Low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | -114.6 | 146.3 | 157.4 | -76.9 | -58.1 | 0 | 0 | 0 | 107.8 | ||||
| 260 | N | 53 | Low | 62.8 | Low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 78.1 | 94.1 | -173.7 | -47.4 | -71.4 | 0 | 0 | 0 | 116.6 | ||
| 261 | N | 53 | Low | 65.2 | Low | 151 Ų | 151 | 127.6 Ų | 127.6 | 81% | 0.807 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 56.4 | 121.5 | 134.1 | -57.4 | -18.9 | 0 | 0 | 0 | 121.2 | L263 | N261-L263 PolarHBondContact O-N 2.91Š|
| 262 | S | 59.6 | Low | 67.5 | Low | 128 Ų | 128 | 124.2 Ų | 124.2 | 90% | 0.895 | 66% | 0.66 | S | S | * | * | trans | 67.3 | 17.3 | 148.9 | -162.1 | 0 | 0 | 0 | 0 | 119.1 | D264 | S262-D264 PolarHBondContact O-N 3.11Š| ||
| 263 | L | 62.4 | Low | 69.7 | Low | 123 Ų | 123 | 125.5 Ų | 125.5 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | trans | -74.8 | 118.6 | 167.8 | -165.1 | 71.2 | 0 | 0 | 0 | 110.6 | N261 Q265 N267 L268 | N261-L263 PolarHBondContact O-N 2.91Å; L263-Q265 PolarHBondContact O-N 2.71Å; L263-N267 HydrophobicContact CD1-CB 4.5Å; L263-L268 HydrophobicContact CD2-CB 4.39Å | ||
| 264 | D | 80.3 | Confident | 71.5 | Confident | 79 Ų | 79 | 126.1 Ų | 126.1 | 42% | 0.422 | 64% | 0.637 | S | S | . | * | trans | -52.4 | 130.6 | 177.5 | -176.7 | -14.3 | 0 | 0 | 0 | 111.2 | S262 Q266 N267 L268 | S262-D264 PolarHBondContact O-N 3.11Å; D264-Q266 PolarHBondContact O-N 2.86Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 PolarHBondContact OD1-N 2.89Å; D264-N267 HydrophobicContact CB-CB 4.34Å; D264-N267 WeakPolarHBondContact O-CA 3.47Å; D264-N267 WeakPolarHBondContact O-CB 3.48Å; D264-N267 PolarHBondContact O-N 2.71Å; D264-L268 PolarHBondContact O-N 3.44Å | ||
| 265 | Q | 81.5 | Confident | 73.3 | Confident | 167 Ų | 167 | 124 Ų | 124 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -56.2 | -28.4 | 178.2 | -162.3 | -178.7 | 38.5 | 0 | 0 | 112.4 | L263 K269 | L263-Q265 PolarHBondContact O-N 2.71Å; Q265-K269 WeakPolarHBondContact O-CB 3.13Å; Q265-K269 PolarHBondContact O-N 3.12Å; Q265-K269 VanDerWaalsContact O-N 3.1Å |
| 266 | Q | 82.8 | Confident | 75 | Confident | 130 Ų | 130 | 121.6 Ų | 121.6 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.2 | -42.7 | 172 | -61 | -165 | 44.6 | 0 | 0 | 112.3 | D264 K269 Q270 | D264-Q266 PolarHBondContact O-N 2.86Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 PolarHBondContact OD1-N 2.89Å; Q266-K269 PolarHBondContact O-N 3.25Å; Q266-Q270 WeakPolarHBondContact O-CG 3.45Å; Q266-Q270 PolarHBondContact O-N 3.17Å |
| 267 | N | 84.3 | Confident | 76.4 | Confident | 81 Ų | 81 | 116 Ų | 116 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.2 | -41.1 | 178.8 | -69.7 | -21.2 | 0 | 0 | 0 | 111.2 | L263 D264 K269 Q270 Y271 | L263-N267 HydrophobicContact CD1-CB 4.5Å; D264-N267 HydrophobicContact CB-CB 4.34Å; D264-N267 WeakPolarHBondContact O-CA 3.47Å; D264-N267 WeakPolarHBondContact O-CB 3.48Å; D264-N267 PolarHBondContact O-N 2.71Å; N267-K269 VanDerWaalsContact C-N 3.33Å; N267-K269 PolarHBondContact O-N 3.45Å; N267-Q270 PolarHBondContact O-N 3.27Å; N267-Y271 WeakPolarHBondContact O-CB 3.47Å; N267-Y271 PolarHBondContact O-N 3.22Å |
| 268 | L | 85.7 | Confident | 77.8 | Confident | 50 Ų | 50 | 113.6 Ų | 113.6 | 26% | 0.262 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.3 | -42.6 | 173 | -178.3 | 61.1 | 0 | 0 | 0 | 111.5 | I258 L263 D264 Y271 L272 | I258-L268 HydrophobicContact CD1-CD1 4.25Å; I258-L268 HydrophobicContact CD1-CD2 4.1Å; L263-L268 HydrophobicContact CD2-CB 4.39Å; D264-L268 PolarHBondContact O-N 3.44Å; L268-Y271 PolarHBondContact O-N 3.46Å; L268-L272 HydrophobicContact CD1-CD1 4.24Å; L268-L272 HydrophobicContact CD1-CG 4.38Å; L268-L272 HydrophobicContact CG-CD1 4.14Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.42Å |
| 269 | K | 89.6 | Confident | 79.1 | Confident | 162 Ų | 162 | 111.2 Ų | 111.2 | 70% | 0.704 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 177.2 | -173.2 | 171 | -176.8 | 171.2 | 0 | 112.8 | Q265 Q266 N267 H273 | Q265-K269 WeakPolarHBondContact O-CB 3.13Å; Q265-K269 PolarHBondContact O-N 3.12Å; Q265-K269 VanDerWaalsContact O-N 3.1Å; Q266-K269 PolarHBondContact O-N 3.25Å; N267-K269 VanDerWaalsContact C-N 3.33Å; N267-K269 PolarHBondContact O-N 3.45Å; K269-H273 VanDerWaalsContact O-CB 3.3Å; K269-H273 WeakPolarHBondContact O-CB 3.32Å; K269-H273 PolarHBondContact O-N 3.27Å; K269-H273 VanDerWaalsContact O-N 3.08Å |
| 270 | Q | 90.2 | Very high | 80.7 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 174.3 | -72.5 | -179 | 33.8 | 0 | 0 | 111.7 | Q266 N267 H273 H274 | Q266-Q270 WeakPolarHBondContact O-CG 3.45Å; Q266-Q270 PolarHBondContact O-N 3.17Å; N267-Q270 PolarHBondContact O-N 3.27Å; Q270-H273 PolarHBondContact O-N 3.14Å; Q270-H274 WeakPolarHBondContact O-CB 3.49Å; Q270-H274 PolarHBondContact O-N 3.22Å |
| 271 | Y | 88 | Confident | 82.1 | Confident | 132 Ų | 132 | 103.3 Ų | 103.3 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -52.1 | 176.6 | 179.1 | -88.2 | 0 | 0 | 0 | 111.7 | N267 L268 H273 H274 E275 | N267-Y271 WeakPolarHBondContact O-CB 3.47Å; N267-Y271 PolarHBondContact O-N 3.22Å; L268-Y271 PolarHBondContact O-N 3.46Å; Y271-H273 VanDerWaalsContact C-N 3.34Å; Y271-H273 PolarHBondContact O-N 3.46Å; Y271-H274 PolarHBondContact O-N 3.47Å; Y271-E275 WeakPolarHBondContact CE1-OE2 3.31Å; Y271-E275 PolarHBondContact O-N 3.18Å |
| 272 | L | 91.4 | Very high | 83.3 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 179.3 | -71.5 | 169.4 | 0 | 0 | 0 | 112.3 | L268 E275 L276 | L268-L272 HydrophobicContact CD1-CD1 4.24Å; L268-L272 HydrophobicContact CD1-CG 4.38Å; L268-L272 HydrophobicContact CG-CD1 4.14Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.42Å; L272-E275 PolarHBondContact O-N 3.37Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 PolarHBondContact O-N 3.5Å |
| 273 | H | 89.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 96.7 Ų | 96.7 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 175.8 | -177.8 | -92.7 | 0 | 0 | 0 | 112.1 | K269 Q270 Y271 L276 L277 | K269-H273 VanDerWaalsContact O-CB 3.3Å; K269-H273 WeakPolarHBondContact O-CB 3.32Å; K269-H273 PolarHBondContact O-N 3.27Å; K269-H273 VanDerWaalsContact O-N 3.08Å; Q270-H273 PolarHBondContact O-N 3.14Å; Y271-H273 VanDerWaalsContact C-N 3.34Å; Y271-H273 PolarHBondContact O-N 3.46Å; H273-L276 PolarHBondContact O-N 3.44Å; H273-L277 VanDerWaalsContact CE1-CD1 3.49Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.3Å; H273-L277 WeakPolarHBondContact O-CG 3.43Å; H273-L277 PolarHBondContact O-N 2.86Å |
| 274 | H | 85.9 | Confident | 85.7 | Confident | 101 Ų | 101 | 94.8 Ų | 94.8 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 176.4 | 173.6 | -105.2 | 0 | 0 | 0 | 112.5 | Q270 Y271 K278 | Q270-H274 WeakPolarHBondContact O-CB 3.49Å; Q270-H274 PolarHBondContact O-N 3.22Å; Y271-H274 PolarHBondContact O-N 3.47Å; H274-K278 WeakPolarHBondContact O-CB 3.46Å; H274-K278 PolarHBondContact O-N 3.14Å |
| 275 | E | 87.7 | Confident | 85.8 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 174.6 | -175.1 | 155.3 | -132.2 | 0 | 0 | 112.3 | L254 Y271 L272 K278 S279 | L254-E275 HydrophobicContact CD1-CG 4.47Å; Y271-E275 WeakPolarHBondContact CE1-OE2 3.31Å; Y271-E275 PolarHBondContact O-N 3.18Å; L272-E275 PolarHBondContact O-N 3.37Å; E275-K278 PolarHBondContact O-N 3.22Å; E275-S279 PolarHBondContact O-N 3.39Å |
| 276 | L | 90.3 | Very high | 85.9 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 55% | 0.55 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -54 | 174.3 | -172 | 150.6 | 0 | 0 | 0 | 111.5 | L272 H273 K278 S279 E280 | L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 PolarHBondContact O-N 3.5Å; H273-L276 PolarHBondContact O-N 3.44Å; L276-K278 PolarHBondContact O-N 3.2Å; L276-S279 WeakPolarHBondContact O-CA 3.37Å; L276-S279 WeakPolarHBondContact O-CB 3.23Å; L276-S279 PolarHBondContact O-N 3.29Å; L276-S279 PolarHBondContact O-OG 3.26Å; L276-E280 PolarHBondContact O-N 3.39Å |
| 277 | L | 86.2 | Confident | 86.3 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55 | -39.9 | 176 | -76.2 | 175.6 | 0 | 0 | 0 | 112.2 | H273 E280 A281 | H273-L277 VanDerWaalsContact CE1-CD1 3.49Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.3Å; H273-L277 WeakPolarHBondContact O-CG 3.43Å; H273-L277 PolarHBondContact O-N 2.86Å; L277-E280 PolarHBondContact O-N 2.95Å; L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.43Å |
| 278 | K | 86.1 | Confident | 86.5 | Confident | 88 Ų | 88 | 85.4 Ų | 85.4 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.2 | -35.2 | 176.3 | -179.3 | -179.1 | 179 | -175.7 | 0 | 112.3 | H274 E275 L276 L282 | H274-K278 WeakPolarHBondContact O-CB 3.46Å; H274-K278 PolarHBondContact O-N 3.14Å; E275-K278 PolarHBondContact O-N 3.22Å; L276-K278 PolarHBondContact O-N 3.2Å; K278-L282 HydrophobicContact CG-CD1 4.2Å; K278-L282 WeakPolarHBondContact O-CB 3.47Å; K278-L282 VanDerWaalsContact O-CD1 3.29Å; K278-L282 WeakPolarHBondContact O-CD1 3.45Å; K278-L282 WeakPolarHBondContact O-CG 3.19Å; K278-L282 PolarHBondContact O-N 3.14Å |
| 279 | S | 83.2 | Confident | 86.8 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 174.4 | 76.7 | 0 | 0 | 0 | 0 | 112.2 | E275 L276 S283 | E275-S279 PolarHBondContact O-N 3.39Å; L276-S279 WeakPolarHBondContact O-CA 3.37Å; L276-S279 WeakPolarHBondContact O-CB 3.23Å; L276-S279 PolarHBondContact O-N 3.29Å; L276-S279 PolarHBondContact O-OG 3.26Å; S279-S283 PolarHBondContact O-N 3.25Å |
| 280 | E | 82.9 | Confident | 86.8 | Confident | 99 Ų | 99 | 84.4 Ų | 84.4 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.6 | -55.2 | 178.8 | -173.4 | 164.6 | -138.9 | 0 | 0 | 111 | L276 L277 L282 S283 E284 | L276-E280 PolarHBondContact O-N 3.39Å; L277-E280 PolarHBondContact O-N 2.95Å; E280-L282 PolarHBondContact O-N 3.26Å; E280-L282 VanDerWaalsContact O-N 3.13Å; E280-S283 WeakPolarHBondContact O-CA 3.22Å; E280-S283 WeakPolarHBondContact O-CB 3.49Å; E280-S283 PolarHBondContact O-N 3.49Å; E280-S283 PolarHBondContact O-OG 3.44Å; E280-E284 PolarHBondContact O-N 2.96Å |
| 281 | A | 82.4 | Confident | 86.8 | Confident | 26 Ų | 26 | 78.8 Ų | 78.8 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57 | -31.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L277 S283 E284 V285 | L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.43Å; A281-S283 VanDerWaalsContact C-N 3.34Å; A281-E284 PolarHBondContact O-N 3.38Å; A281-V285 WeakPolarHBondContact O-CG2 3.41Å; A281-V285 PolarHBondContact O-N 2.96Å |
| 282 | L | 78.8 | Confident | 86.9 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 28% | 0.283 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78.1 | -15.6 | 175.6 | -68.7 | 174.8 | 0 | 0 | 0 | 114.3 | K278 E280 V285 A336 | K278-L282 HydrophobicContact CG-CD1 4.2Å; K278-L282 WeakPolarHBondContact O-CB 3.47Å; K278-L282 VanDerWaalsContact O-CD1 3.29Å; K278-L282 WeakPolarHBondContact O-CD1 3.45Å; K278-L282 WeakPolarHBondContact O-CG 3.19Å; K278-L282 PolarHBondContact O-N 3.14Å; E280-L282 PolarHBondContact O-N 3.26Å; E280-L282 VanDerWaalsContact O-N 3.13Å; L282-V285 HydrophobicContact CD2-CG2 4.32Å; L282-A336 HydrophobicContact CD1-CB 3.31Å; L282-A336 HydrophobicContact CD2-CB 3.44Å; L282-A336 VanDerWaalsContact CD2-CB 3.44Å; L282-A336 HydrophobicContact CG-CB 4Å |
| 283 | S | 85.7 | Confident | 87 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -77.7 | -33.4 | 165.1 | 78.1 | 0 | 0 | 0 | 0 | 111.6 | S279 E280 A281 | S279-S283 PolarHBondContact O-N 3.25Å; E280-S283 WeakPolarHBondContact O-CA 3.22Å; E280-S283 WeakPolarHBondContact O-CB 3.49Å; E280-S283 PolarHBondContact O-N 3.49Å; E280-S283 PolarHBondContact O-OG 3.44Å; A281-S283 VanDerWaalsContact C-N 3.34Å |
| 284 | E | 86.5 | Confident | 87.1 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.7 | -24 | 177.1 | -59.5 | -173.8 | 146 | 0 | 0 | 113.3 | E280 A281 D286 D287 F290 | E280-E284 PolarHBondContact O-N 2.96Å; A281-E284 PolarHBondContact O-N 3.38Å; E284-D286 PolarHBondContact O-N 3.05Å; E284-D287 WeakPolarHBondContact O-CA 3.48Å; E284-D287 WeakPolarHBondContact O-CB 3.38Å; E284-D287 PolarHBondContact O-N 2.87Å; E284-F290 HydrophobicContact CB-CB 4.24Å; E284-F290 HydrophobicContact CB-CD1 3.81Å; E284-F290 HydrophobicContact CB-CD2 3.9Å; E284-F290 HydrophobicContact CB-CE1 4.05Å; E284-F290 HydrophobicContact CB-CE2 4.14Å; E284-F290 HydrophobicContact CB-CG 3.73Å; E284-F290 HydrophobicContact CB-CZ 4.21Å; E284-F290 WeakPolarHBondContact O-CD1 3.39Å; E284-F290 WeakPolarHBondContact OE2-CD2 3.2Å; E284-F290 WeakPolarHBondContact OE2-CE2 3.23Å |
| 285 | V | 83.7 | Confident | 87.3 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.5 | 176.1 | 156.8 | 0 | 0 | 0 | 0 | 114.1 | A281 L282 F290 N291 L337 R446 | A281-V285 WeakPolarHBondContact O-CG2 3.41Å; A281-V285 PolarHBondContact O-N 2.96Å; L282-V285 HydrophobicContact CD2-CG2 4.32Å; V285-F290 HydrophobicContact CG2-CE1 4.23Å; V285-N291 PolarHBondContact O-ND2 2.96Å; V285-L337 HydrophobicContact CG1-CD2 3.76Å; V285-L337 HydrophobicContact CG2-CD2 4.48Å; V285-R446 PolarHBondContact O-NH1 3.38Å |
| 286 | D | 82.8 | Confident | 87.5 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.1 | 170.3 | -80.9 | -18.3 | 0 | 0 | 0 | 114.2 | E284 R446 | E284-D286 PolarHBondContact O-N 3.05Å; D286-R446 IonicContact OD1-CZ 2.86Å; D286-R446 IonicContact OD1-NH2 3.41Å; D286-R446 PolarHBondContact OD1-NH2 3.15Å |
| 287 | D | 91.2 | Very high | 87.5 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | trans | -71.6 | 132.1 | 169.9 | -158.8 | -48.6 | 0 | 0 | 0 | 110.6 | E284 E289 F290 N291 | E284-D287 WeakPolarHBondContact O-CA 3.48Å; E284-D287 WeakPolarHBondContact O-CB 3.38Å; E284-D287 PolarHBondContact O-N 2.87Å; D287-E289 PolarHBondContact OD1-N 3.04Å; D287-F290 HydrophobicContact CB-CB 4.18Å; D287-N291 PolarHBondContact O-N 3.13Å; D287-N291 PolarHBondContact O-ND2 3.18Å | ||
| 288 | T | 89.4 | Confident | 87.8 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 37% | 0.368 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78 | -27.2 | -176.2 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | L292 F447 K450 | T288-L292 HydrophobicContact CG2-CD1 4.41Å; T288-L292 VanDerWaalsContact O-CG 3.28Å; T288-L292 WeakPolarHBondContact O-CG 3.47Å; T288-L292 PolarHBondContact O-N 3.1Å; T288-L292 VanDerWaalsContact O-N 3.12Å; T288-F447 HydrophobicContact CG2-CE1 3.69Å; T288-F447 HydrophobicContact CG2-CZ 4.28Å; T288-K450 PolarHBondContact OG1-NZ 3.04Å |
| 289 | E | 90.8 | Very high | 87.9 | Confident | 158 Ų | 158 | 71.5 Ų | 71.5 | 74% | 0.738 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.8 | -43.5 | 176.9 | -171.6 | 165.4 | -170.4 | 0 | 0 | 111.5 | D287 N291 L292 M293 | D287-E289 PolarHBondContact OD1-N 3.04Å; E289-N291 PolarHBondContact O-N 2.93Å; E289-L292 PolarHBondContact O-N 3.4Å; E289-L292 VanDerWaalsContact O-N 3.13Å; E289-M293 PolarHBondContact O-N 3.5Å |
| 290 | F | 90.4 | Very high | 88.1 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 173.4 | 179.9 | -101.2 | 0 | 0 | 0 | 112.4 | E284 V285 D287 L292 M293 L294 | E284-F290 HydrophobicContact CB-CB 4.24Å; E284-F290 HydrophobicContact CB-CD1 3.81Å; E284-F290 HydrophobicContact CB-CD2 3.9Å; E284-F290 HydrophobicContact CB-CE1 4.05Å; E284-F290 HydrophobicContact CB-CE2 4.14Å; E284-F290 HydrophobicContact CB-CG 3.73Å; E284-F290 HydrophobicContact CB-CZ 4.21Å; E284-F290 WeakPolarHBondContact O-CD1 3.39Å; E284-F290 WeakPolarHBondContact OE2-CD2 3.2Å; E284-F290 WeakPolarHBondContact OE2-CE2 3.23Å; V285-F290 HydrophobicContact CG2-CE1 4.23Å; D287-F290 HydrophobicContact CB-CB 4.18Å; F290-L292 VanDerWaalsContact C-N 3.31Å; F290-L292 PolarHBondContact O-N 3.26Å; F290-M293 HydrophobicContact CD2-CE 3.72Å; F290-M293 HydrophobicContact CE2-CE 4.02Å; F290-M293 WeakPolarHBondContact O-CB 3.29Å; F290-M293 PolarHBondContact O-N 3.03Å; F290-L294 HydrophobicContact CD1-CD1 4Å; F290-L294 HydrophobicContact CD1-CG 4.48Å; F290-L294 HydrophobicContact CE1-CD1 3.49Å; F290-L294 VanDerWaalsContact CE1-CD1 3.49Å; F290-L294 HydrophobicContact CE1-CG 4.17Å; F290-L294 HydrophobicContact CZ-CD1 3.97Å; F290-L294 HydrophobicContact CZ-CD2 4.48Å; F290-L294 HydrophobicContact CZ-CG 4.31Å; F290-L294 PolarHBondContact O-N 3.48Å |
| 291 | N | 90.4 | Very high | 88.3 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 175.1 | -79.6 | -94.5 | 0 | 0 | 0 | 112.3 | V285 D287 E289 L295 | V285-N291 PolarHBondContact O-ND2 2.96Å; D287-N291 PolarHBondContact O-N 3.13Å; D287-N291 PolarHBondContact O-ND2 3.18Å; E289-N291 PolarHBondContact O-N 2.93Å; N291-L295 PolarHBondContact O-N 2.93Å |
| 292 | L | 90.1 | Very high | 88.3 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 40% | 0.398 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.3 | -34.9 | 175.2 | -72.8 | 168.5 | 0 | 0 | 0 | 112.4 | T288 E289 F290 L295 R296 F447 | T288-L292 HydrophobicContact CG2-CD1 4.41Å; T288-L292 VanDerWaalsContact O-CG 3.28Å; T288-L292 WeakPolarHBondContact O-CG 3.47Å; T288-L292 PolarHBondContact O-N 3.1Å; T288-L292 VanDerWaalsContact O-N 3.12Å; E289-L292 PolarHBondContact O-N 3.4Å; E289-L292 VanDerWaalsContact O-N 3.13Å; F290-L292 VanDerWaalsContact C-N 3.31Å; F290-L292 PolarHBondContact O-N 3.26Å; L292-L295 HydrophobicContact CD2-CD1 4.38Å; L292-L295 PolarHBondContact O-N 3.01Å; L292-R296 WeakPolarHBondContact O-CG 3.28Å; L292-R296 PolarHBondContact O-N 2.96Å; L292-F447 HydrophobicContact CD2-CE1 4.29Å; L292-F447 HydrophobicContact CD2-CZ 3.87Å; L292-F447 HydrophobicContact CG-CE1 4.48Å; L292-F447 HydrophobicContact CG-CZ 4.07Å |
| 293 | M | 93.2 | Very high | 88.5 | Confident | 109 Ų | 109 | 74.1 Ų | 74.1 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 171.8 | -177.4 | 177.8 | 66.7 | 0 | 0 | 111.2 | E289 F290 L295 R296 L297 | E289-M293 PolarHBondContact O-N 3.5Å; F290-M293 HydrophobicContact CD2-CE 3.72Å; F290-M293 HydrophobicContact CE2-CE 4.02Å; F290-M293 WeakPolarHBondContact O-CB 3.29Å; F290-M293 PolarHBondContact O-N 3.03Å; M293-L295 VanDerWaalsContact C-N 3.34Å; M293-L295 PolarHBondContact O-N 3.25Å; M293-R296 PolarHBondContact O-N 3.46Å; M293-L297 WeakPolarHBondContact O-CB 3.47Å; M293-L297 PolarHBondContact O-N 2.89Å |
| 294 | L | 91.4 | Very high | 88.1 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 174.5 | -70.2 | 179.3 | 0 | 0 | 0 | 112.4 | F290 L297 A298 L328 | F290-L294 HydrophobicContact CD1-CD1 4Å; F290-L294 HydrophobicContact CD1-CG 4.48Å; F290-L294 HydrophobicContact CE1-CD1 3.49Å; F290-L294 VanDerWaalsContact CE1-CD1 3.49Å; F290-L294 HydrophobicContact CE1-CG 4.17Å; F290-L294 HydrophobicContact CZ-CD1 3.97Å; F290-L294 HydrophobicContact CZ-CD2 4.48Å; F290-L294 HydrophobicContact CZ-CG 4.31Å; F290-L294 PolarHBondContact O-N 3.48Å; L294-L297 PolarHBondContact O-N 3.09Å; L294-A298 VanDerWaalsContact O-CB 3.32Å; L294-A298 WeakPolarHBondContact O-CB 3.19Å; L294-A298 PolarHBondContact O-N 3.22Å; L294-L328 HydrophobicContact CD2-CD1 4.01Å |
| 295 | L | 89.7 | Confident | 87.1 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 173.9 | -83.2 | 171.7 | 0 | 0 | 0 | 112.7 | N291 L292 M293 A298 K299 I440 L443 F447 | N291-L295 PolarHBondContact O-N 2.93Å; L292-L295 HydrophobicContact CD2-CD1 4.38Å; L292-L295 PolarHBondContact O-N 3.01Å; M293-L295 VanDerWaalsContact C-N 3.34Å; M293-L295 PolarHBondContact O-N 3.25Å; L295-A298 PolarHBondContact O-N 2.81Å; L295-K299 PolarHBondContact O-N 3.13Å; L295-I440 HydrophobicContact CD2-CG1 4.39Å; L295-L443 HydrophobicContact CD1-CB 4.33Å; L295-L443 HydrophobicContact CD2-CB 3.92Å; L295-L443 HydrophobicContact CD2-CD1 3.61Å; L295-L443 HydrophobicContact CD2-CG 4.4Å; L295-L443 HydrophobicContact CG-CB 4.31Å; L295-L443 HydrophobicContact CG-CD1 3.92Å; L295-F447 HydrophobicContact CD1-CE2 3.73Å; L295-F447 HydrophobicContact CD1-CZ 4.41Å |
| 296 | R | 92.1 | Very high | 86.2 | Confident | 177 Ų | 177 | 76.8 Ų | 76.8 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 175.3 | -73.6 | 172.1 | 177.1 | 174.1 | -0.9 | 111.1 | L292 M293 K299 Y300 | L292-R296 WeakPolarHBondContact O-CG 3.28Å; L292-R296 PolarHBondContact O-N 2.96Å; M293-R296 PolarHBondContact O-N 3.46Å; R296-K299 WeakPolarHBondContact O-CB 3.35Å; R296-K299 PolarHBondContact O-N 3.18Å; R296-Y300 WeakPolarHBondContact O-CD2 3.48Å; R296-Y300 PolarHBondContact O-N 2.69Å |
| 297 | L | 91.5 | Very high | 85.1 | Confident | 64 Ų | 64 | 79.4 Ų | 79.4 | 34% | 0.335 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.5 | -171.2 | 63 | 0 | 0 | 0 | 111.8 | M293 L294 K299 Y300 L301 | M293-L297 WeakPolarHBondContact O-CB 3.47Å; M293-L297 PolarHBondContact O-N 2.89Å; L294-L297 PolarHBondContact O-N 3.09Å; L297-K299 VanDerWaalsContact C-N 3.32Å; L297-K299 PolarHBondContact O-N 3.43Å; L297-Y300 PolarHBondContact O-N 3.35Å; L297-L301 HydrophobicContact CG-CD1 4.2Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 VanDerWaalsContact O-CG 3.3Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 3.01Å |
| 298 | A | 92 | Very high | 83.4 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 3% | 0.025 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L294 L295 L302 L436 | L294-A298 VanDerWaalsContact O-CB 3.32Å; L294-A298 WeakPolarHBondContact O-CB 3.19Å; L294-A298 PolarHBondContact O-N 3.22Å; L295-A298 PolarHBondContact O-N 2.81Å; A298-L302 WeakPolarHBondContact O-CG 3.45Å; A298-L302 PolarHBondContact O-N 3.14Å; A298-L436 HydrophobicContact CB-CD1 3.8Å; A298-L436 HydrophobicContact CB-CG 4.46Å |
| 299 | K | 88.7 | Confident | 82.2 | Confident | 132 Ų | 132 | 85.2 Ų | 85.2 | 57% | 0.574 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.4 | -49.1 | 175 | -173.7 | -173 | 175.7 | -170 | 0 | 111.6 | L295 R296 L297 L301 L302 M303 | L295-K299 PolarHBondContact O-N 3.13Å; R296-K299 WeakPolarHBondContact O-CB 3.35Å; R296-K299 PolarHBondContact O-N 3.18Å; L297-K299 VanDerWaalsContact C-N 3.32Å; L297-K299 PolarHBondContact O-N 3.43Å; K299-L301 PolarHBondContact O-N 2.81Å; K299-L302 PolarHBondContact O-N 2.74Å; K299-L302 VanDerWaalsContact O-N 3.11Å; K299-M303 HydrophobicContact CD-SD 4.36Å; K299-M303 HydrophobicContact CG-SD 4.12Å; K299-M303 WeakPolarHBondContact O-CG 3.28Å; K299-M303 PolarHBondContact O-N 3.05Å |
| 300 | Y | 86.1 | Confident | 80.8 | Confident | 147 Ų | 147 | 84.9 Ų | 84.9 | 58% | 0.576 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.6 | -46 | 178.3 | -72.5 | -62.3 | 0 | 0 | 0 | 111.7 | R296 L297 L302 M303 D304 | R296-Y300 WeakPolarHBondContact O-CD2 3.48Å; R296-Y300 PolarHBondContact O-N 2.69Å; L297-Y300 PolarHBondContact O-N 3.35Å; Y300-L302 PolarHBondContact O-N 3.28Å; Y300-L302 VanDerWaalsContact O-N 3.12Å; Y300-M303 PolarHBondContact O-N 2.87Å; Y300-D304 PolarHBondContact O-N 3.21Å |
| 301 | L | 86.7 | Confident | 79.1 | Confident | 25 Ų | 25 | 90.5 Ų | 90.5 | 13% | 0.131 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.2 | -15.8 | 177 | -67.8 | 169 | 0 | 0 | 0 | 114.4 | L297 K299 V305 L325 L328 | L297-L301 HydrophobicContact CG-CD1 4.2Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 VanDerWaalsContact O-CG 3.3Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 3.01Å; K299-L301 PolarHBondContact O-N 2.81Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-L325 HydrophobicContact CB-CD2 4.46Å; L301-L325 HydrophobicContact CD1-CD2 3.93Å; L301-L325 HydrophobicContact CD1-CG 4.15Å; L301-L325 HydrophobicContact CD2-CG 4.14Å; L301-L328 HydrophobicContact CD1-CD2 3.94Å |
| 302 | L | 83.6 | Confident | 77.4 | Confident | 54 Ų | 54 | 99.4 Ų | 99.4 | 28% | 0.283 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -88.4 | -38.1 | 168.7 | -77.2 | 171 | 0 | 0 | 0 | 112.5 | A298 K299 Y300 V305 G306 L436 I440 | A298-L302 WeakPolarHBondContact O-CG 3.45Å; A298-L302 PolarHBondContact O-N 3.14Å; K299-L302 PolarHBondContact O-N 2.74Å; K299-L302 VanDerWaalsContact O-N 3.11Å; Y300-L302 PolarHBondContact O-N 3.28Å; Y300-L302 VanDerWaalsContact O-N 3.12Å; L302-V305 PolarHBondContact O-N 3.48Å; L302-G306 PolarHBondContact O-N 3.21Å; L302-L436 HydrophobicContact CD1-CD2 4.2Å; L302-L436 HydrophobicContact CD1-CG 4.16Å; L302-L436 HydrophobicContact CD2-CB 4.45Å; L302-L436 HydrophobicContact CD2-CD2 3.81Å; L302-L436 HydrophobicContact CD2-CG 4.3Å; L302-L436 HydrophobicContact CG-CD2 3.65Å; L302-L436 HydrophobicContact CG-CG 4.15Å; L302-I440 HydrophobicContact CD1-CD1 3.55Å |
| 303 | M | 83.2 | Confident | 75.7 | Confident | 83 Ų | 83 | 103.2 Ų | 103.2 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | -179.9 | -71.3 | -180 | 63.7 | 0 | 0 | 111.4 | K299 Y300 V305 G306 | K299-M303 HydrophobicContact CD-SD 4.36Å; K299-M303 HydrophobicContact CG-SD 4.12Å; K299-M303 WeakPolarHBondContact O-CG 3.28Å; K299-M303 PolarHBondContact O-N 3.05Å; Y300-M303 PolarHBondContact O-N 2.87Å; M303-V305 PolarHBondContact O-N 3.46Å; M303-G306 PolarHBondContact O-N 3.13Å |
| 304 | D | 76 | Confident | 73.7 | Confident | 118 Ų | 118 | 105 Ų | 105 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.6 | -24.2 | 176.8 | -67.3 | -10.6 | 0 | 0 | 0 | 113.5 | Y300 | Y300-D304 PolarHBondContact O-N 3.21Å |
| 305 | V | 67 | Low | 71.7 | Confident | 76 Ų | 76 | 108.3 Ų | 108.3 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -88.8 | -26.1 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 112 | L301 L302 M303 T308 | L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L302-V305 PolarHBondContact O-N 3.48Å; M303-V305 PolarHBondContact O-N 3.46Å; V305-T308 PolarHBondContact O-OG1 3.39Å |
| 306 | G | 63.3 | Low | 70.1 | Confident | 42 Ų | 42 | 117.4 Ų | 117.4 | 43% | 0.433 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77.6 | -28.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L302 M303 K309 | L302-G306 PolarHBondContact O-N 3.21Å; M303-G306 PolarHBondContact O-N 3.13Å; G306-K309 WeakPolarHBondContact O-CE 3.47Å |
| 307 | E | 59.7 | Low | 68.5 | Low | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -92.3 | -9.9 | -166.7 | -63.2 | -178.4 | -178.1 | 0 | 0 | 114.2 | K309 | E307-K309 PolarHBondContact O-N 3.12Š|
| 308 | T | 57 | Low | 66.8 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | trans | -78 | 29.1 | -170.4 | 56.5 | 0 | 0 | 0 | 0 | 115.7 | V305 D310 | V305-T308 PolarHBondContact O-OG1 3.39Å; T308-D310 PolarHBondContact O-N 3.33Å | ||
| 309 | K | 63.3 | Low | 64.9 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -24.6 | -166.8 | -71 | 179.3 | -177.6 | 168.3 | 0 | 115.9 | G306 E307 | G306-K309 WeakPolarHBondContact O-CE 3.47Å; E307-K309 PolarHBondContact O-N 3.12Å |
| 310 | D | 62.2 | Low | 63.4 | Low | 151 Ų | 151 | 127.5 Ų | 127.5 | 81% | 0.807 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -1.5 | -167.8 | -65.5 | -60 | 0 | 0 | 0 | 115.9 | T308 K312 | T308-D310 PolarHBondContact O-N 3.33Å; D310-K312 PolarHBondContact O-N 2.9Å; D310-K312 VanDerWaalsContact O-N 3.07Å |
| 311 | I | 54.3 | Low | 62 | Low | 150 Ų | 150 | 124 Ų | 124 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -88 | 77.5 | -177.9 | -50.7 | -177.1 | 0 | 0 | 0 | 111.6 | Q313 | I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 3Å; I311-Q313 VanDerWaalsContact O-N 3.17Å | ||
| 312 | K | 53.4 | Low | 61.1 | Low | 196 Ų | 196 | 125 Ų | 125 | 85% | 0.852 | 65% | 0.645 | S | S | * | * | trans | -81.7 | 56.9 | 171.7 | -71 | -176.9 | 178.9 | 170.2 | 0 | 113.7 | D310 | D310-K312 PolarHBondContact O-N 2.9Å; D310-K312 VanDerWaalsContact O-N 3.07Å | ||
| 313 | Q | 55.1 | Low | 60.5 | Low | 156 Ų | 156 | 130.4 Ų | 130.4 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -162.4 | 140.1 | 162.7 | -117.9 | 158.3 | -22.2 | 0 | 0 | 116.4 | I311 C315 | I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 3Å; I311-Q313 VanDerWaalsContact O-N 3.17Å; Q313-C315 PolarHBondContact O-N 3.36Å |
| 314 | D | 50.9 | Low | 59.5 | Low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | trans | 37 | 68.5 | 150.1 | -62.6 | -37.9 | 0 | 0 | 0 | 119.8 | ||||
| 315 | C | 50.5 | Low | 59.1 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | trans | -127 | 78.6 | 158.3 | -96 | 0 | 0 | 0 | 0 | 113 | Q313 K317 | Q313-C315 PolarHBondContact O-N 3.36Å; C315-K317 PolarHBondContact O-N 3.5Å | ||
| 316 | K | 54.7 | Low | 59.5 | Low | 222 Ų | 222 | 125.6 Ų | 125.6 | 97% | 0.965 | 64% | 0.642 | S | S | * | * | trans | -69.9 | 66.7 | 156.9 | -73.3 | -177.7 | 179.2 | 173.6 | 0 | 110.4 | ||||
| 317 | K | 59.7 | Low | 60 | Low | 169 Ų | 169 | 126.1 Ų | 126.1 | 74% | 0.735 | 64% | 0.642 | S | S | * | * | trans | -106.8 | 136.2 | 170.2 | -74.7 | 174.8 | -178.6 | 162.9 | 0 | 108.6 | C315 | C315-K317 PolarHBondContact O-N 3.5Š| ||
| 318 | T | 54.9 | Low | 60.7 | Low | 132 Ų | 132 | 119.3 Ų | 119.3 | 81% | 0.81 | 61% | 0.611 | S | S | * | * | trans | -68 | 147.3 | -170.9 | 41.5 | 0 | 0 | 0 | 0 | 112.2 | K320 | T318-K320 VanDerWaalsContact C-N 3.27Å; T318-K320 PolarHBondContact O-N 3.02Å | ||
| 319 | N | 53.5 | Low | 61.7 | Low | 115 Ų | 115 | 118.6 Ų | 118.6 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | trans | -62.7 | 83.5 | 177.6 | -68.4 | 12.3 | 0 | 0 | 0 | 111.1 | T321 N425 | N319-T321 VanDerWaalsContact C-N 3.31Å; N319-T321 PolarHBondContact O-N 3.31Å; N319-N425 PolarHBondContact ND2-OD1 3.25Å | ||
| 320 | K | 56.6 | Low | 62.4 | Low | 173 Ų | 173 | 114.1 Ų | 114.1 | 75% | 0.752 | 59% | 0.586 | S | S | * | * | trans | -82.3 | 84.4 | 150 | -75.3 | -164 | 169.1 | -152.5 | 0 | 107.6 | T318 S322 | T318-K320 VanDerWaalsContact C-N 3.27Å; T318-K320 PolarHBondContact O-N 3.02Å; K320-S322 PolarHBondContact O-N 3.05Å | ||
| 321 | T | 57.3 | Low | 62.9 | Low | 74 Ų | 74 | 108.9 Ų | 108.9 | 45% | 0.454 | 56% | 0.56 | S | S | . | * | trans | -50.5 | 131.4 | 148.9 | 39.9 | 0 | 0 | 0 | 0 | 106.6 | N319 E323 | N319-T321 VanDerWaalsContact C-N 3.31Å; N319-T321 PolarHBondContact O-N 3.31Å; T321-E323 PolarHBondContact O-N 3.43Å | ||
| 322 | S | 66.5 | Low | 63.9 | Low | 46 Ų | 46 | 103.6 Ų | 103.6 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | trans | -61.2 | 139.5 | -176.5 | 58.7 | 0 | 0 | 0 | 0 | 108.9 | K320 C324 L325 E326 | K320-S322 PolarHBondContact O-N 3.05Å; S322-C324 PolarHBondContact O-N 3.48Å; S322-L325 PolarHBondContact O-N 3.26Å; S322-L325 WeakPolarHBondContact OG-CG 3.46Å; S322-L325 PolarHBondContact OG-N 3.19Å; S322-E326 PolarHBondContact O-N 2.68Å | ||
| 323 | E | 71.8 | Confident | 65.1 | Low | 166 Ų | 166 | 99.8 Ų | 99.8 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.5 | -28.1 | 176.7 | -67.5 | 163.7 | -159.8 | 0 | 0 | 110.3 | T321 A327 | T321-E323 PolarHBondContact O-N 3.43Å; E323-A327 VanDerWaalsContact O-CB 3.23Å; E323-A327 WeakPolarHBondContact O-CB 3.22Å; E323-A327 PolarHBondContact O-N 3.13Å |
| 324 | C | 61 | Low | 66 | Low | 46 Ų | 46 | 93.3 Ų | 93.3 | 31% | 0.311 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 168 | -172.7 | 0 | 0 | 0 | 0 | 115.1 | S322 L328 | S322-C324 PolarHBondContact O-N 3.48Å; C324-L328 WeakPolarHBondContact O-CB 3.17Å; C324-L328 PolarHBondContact O-N 3.33Å |
| 325 | L | 69.5 | Low | 66.5 | Low | 59 Ų | 59 | 91.2 Ų | 91.2 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 179 | -87.9 | 167.3 | 0 | 0 | 0 | 111.7 | L301 S322 L328 K329 | L301-L325 HydrophobicContact CB-CD2 4.46Å; L301-L325 HydrophobicContact CD1-CD2 3.93Å; L301-L325 HydrophobicContact CD1-CG 4.15Å; L301-L325 HydrophobicContact CD2-CG 4.14Å; S322-L325 PolarHBondContact O-N 3.26Å; S322-L325 WeakPolarHBondContact OG-CG 3.46Å; S322-L325 PolarHBondContact OG-N 3.19Å; L325-L328 PolarHBondContact O-N 3.43Å; L325-K329 WeakPolarHBondContact O-CB 3.4Å; L325-K329 PolarHBondContact O-N 3.26Å |
| 326 | E | 74.3 | Confident | 66.9 | Low | 72 Ų | 72 | 88 Ų | 88 | 34% | 0.336 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.9 | -34.6 | 175.9 | -70.7 | -61.9 | 151.6 | 0 | 0 | 111.9 | S322 K329 T330 | S322-E326 PolarHBondContact O-N 2.68Å; E326-K329 IonicContact OE1-NZ 3.72Å; E326-K329 PolarHBondContact OE1-NZ 3.1Å; E326-K329 WeakPolarHBondContact OE2-CD 3.36Å; E326-K329 WeakPolarHBondContact OE2-CE 3.39Å; E326-K329 IonicContact OE2-NZ 3.6Å; E326-K329 PolarHBondContact OE2-NZ 3.02Å; E326-T330 VanDerWaalsContact O-CB 3.3Å; E326-T330 WeakPolarHBondContact O-CB 3.48Å; E326-T330 PolarHBondContact O-N 3.44Å; E326-T330 PolarHBondContact O-OG1 2.77Å |
| 327 | A | 73.2 | Confident | 67.1 | Low | 53 Ų | 53 | 80.2 Ų | 80.2 | 44% | 0.438 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | E323 K329 T330 V331 | E323-A327 VanDerWaalsContact O-CB 3.23Å; E323-A327 WeakPolarHBondContact O-CB 3.22Å; E323-A327 PolarHBondContact O-N 3.13Å; A327-K329 PolarHBondContact O-N 3.38Å; A327-T330 WeakPolarHBondContact O-CB 3.46Å; A327-T330 PolarHBondContact O-N 3.13Å; A327-V331 WeakPolarHBondContact O-CG2 3.48Å; A327-V331 PolarHBondContact O-N 3.04Å |
| 328 | L | 75.3 | Confident | 67 | Low | 13 Ų | 13 | 75.7 Ų | 75.7 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 177.3 | 179.6 | 60.2 | 0 | 0 | 0 | 111 | L294 L301 C324 L325 T330 V331 L332 | L294-L328 HydrophobicContact CD2-CD1 4.01Å; L301-L328 HydrophobicContact CD1-CD2 3.94Å; C324-L328 WeakPolarHBondContact O-CB 3.17Å; C324-L328 PolarHBondContact O-N 3.33Å; L325-L328 PolarHBondContact O-N 3.43Å; L328-T330 PolarHBondContact O-N 3.48Å; L328-V331 PolarHBondContact O-N 3.32Å; L328-L332 HydrophobicContact CD1-CD1 3.74Å; L328-L332 HydrophobicContact CD1-CG 4.37Å; L328-L332 HydrophobicContact CG-CD1 3.73Å; L328-L332 WeakPolarHBondContact O-CB 3.16Å; L328-L332 VanDerWaalsContact O-CD1 3.28Å; L328-L332 WeakPolarHBondContact O-CD1 3.33Å; L328-L332 WeakPolarHBondContact O-CG 3.24Å; L328-L332 PolarHBondContact O-N 3.08Å |
| 329 | K | 78.1 | Confident | 67.2 | Low | 85 Ų | 85 | 75.8 Ų | 75.8 | 37% | 0.37 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 172.9 | 175.9 | 176.2 | 156.9 | -148.9 | 0 | 112.1 | L325 E326 A327 V331 L332 D333 | L325-K329 WeakPolarHBondContact O-CB 3.4Å; L325-K329 PolarHBondContact O-N 3.26Å; E326-K329 IonicContact OE1-NZ 3.72Å; E326-K329 PolarHBondContact OE1-NZ 3.1Å; E326-K329 WeakPolarHBondContact OE2-CD 3.36Å; E326-K329 WeakPolarHBondContact OE2-CE 3.39Å; E326-K329 IonicContact OE2-NZ 3.6Å; E326-K329 PolarHBondContact OE2-NZ 3.02Å; A327-K329 PolarHBondContact O-N 3.38Å; K329-V331 PolarHBondContact O-N 3.22Å; K329-L332 PolarHBondContact O-N 3.49Å; K329-L332 VanDerWaalsContact O-N 3.13Å; K329-D333 WeakPolarHBondContact O-CB 3.45Å; K329-D333 PolarHBondContact O-N 3.36Å |
| 330 | T | 77.2 | Confident | 67.3 | Low | 78 Ų | 78 | 73.5 Ų | 73.5 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.9 | -59 | 0 | 0 | 0 | 0 | 112.8 | E326 A327 L328 L332 S334 | E326-T330 VanDerWaalsContact O-CB 3.3Å; E326-T330 WeakPolarHBondContact O-CB 3.48Å; E326-T330 PolarHBondContact O-N 3.44Å; E326-T330 PolarHBondContact O-OG1 2.77Å; A327-T330 WeakPolarHBondContact O-CB 3.46Å; A327-T330 PolarHBondContact O-N 3.13Å; L328-T330 PolarHBondContact O-N 3.48Å; T330-L332 VanDerWaalsContact C-N 3.33Å; T330-S334 PolarHBondContact O-N 3.41Å |
| 331 | V | 74.2 | Confident | 66.9 | Low | 41 Ų | 41 | 72.8 Ų | 72.8 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | A327 L328 K329 S334 L337 | A327-V331 WeakPolarHBondContact O-CG2 3.48Å; A327-V331 PolarHBondContact O-N 3.04Å; L328-V331 PolarHBondContact O-N 3.32Å; K329-V331 PolarHBondContact O-N 3.22Å; V331-S334 WeakPolarHBondContact O-CB 3.48Å; V331-S334 PolarHBondContact O-N 2.79Å; V331-S334 PolarHBondContact O-OG 3.23Å; V331-L337 WeakPolarHBondContact O-CD1 3.39Å |
| 332 | L | 75.2 | Confident | 66.8 | Low | 39 Ų | 39 | 78.6 Ų | 78.6 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -81.5 | -40.1 | -174.3 | -68.3 | 163.2 | 0 | 0 | 0 | 113.6 | L328 K329 T330 S334 L337 I439 | L328-L332 HydrophobicContact CD1-CD1 3.74Å; L328-L332 HydrophobicContact CD1-CG 4.37Å; L328-L332 HydrophobicContact CG-CD1 3.73Å; L328-L332 WeakPolarHBondContact O-CB 3.16Å; L328-L332 VanDerWaalsContact O-CD1 3.28Å; L328-L332 WeakPolarHBondContact O-CD1 3.33Å; L328-L332 WeakPolarHBondContact O-CG 3.24Å; L328-L332 PolarHBondContact O-N 3.08Å; K329-L332 PolarHBondContact O-N 3.49Å; K329-L332 VanDerWaalsContact O-N 3.13Å; T330-L332 VanDerWaalsContact C-N 3.33Å; L332-S334 PolarHBondContact O-N 3.48Å; L332-L337 HydrophobicContact CD2-CD1 4.17Å; L332-I439 HydrophobicContact CD1-CD1 3.53Å; L332-I439 HydrophobicContact CD1-CG1 4.09Å; L332-I439 HydrophobicContact CD1-CG2 4.07Å; L332-I439 HydrophobicContact CD2-CG1 4.39Å; L332-I439 HydrophobicContact CD2-CG2 3.86Å |
| 333 | D | 76.9 | Confident | 66.3 | Low | 115 Ų | 115 | 85.1 Ų | 85.1 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -69.9 | -7.9 | 169.8 | -72.4 | -28.5 | 0 | 0 | 0 | 112 | K329 N335 | K329-D333 WeakPolarHBondContact O-CB 3.45Å; K329-D333 PolarHBondContact O-N 3.36Å; D333-N335 PolarHBondContact O-N 2.89Å; D333-N335 VanDerWaalsContact O-N 3.13Å |
| 334 | S | 74.4 | Confident | 65.5 | Low | 20 Ų | 20 | 82 Ų | 82 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | trans | -60.4 | 120.3 | 177.4 | 85.2 | 0 | 0 | 0 | 0 | 110.7 | T330 V331 L332 A336 L337 | T330-S334 PolarHBondContact O-N 3.41Å; V331-S334 WeakPolarHBondContact O-CB 3.48Å; V331-S334 PolarHBondContact O-N 2.79Å; V331-S334 PolarHBondContact O-OG 3.23Å; L332-S334 PolarHBondContact O-N 3.48Å; S334-A336 PolarHBondContact O-N 2.73Å; S334-L337 PolarHBondContact O-N 2.83Å; S334-L337 VanDerWaalsContact O-N 3.17Å | ||
| 335 | N | 61.8 | Low | 65.3 | Low | 105 Ų | 105 | 84.1 Ų | 84.1 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -53.9 | -13.2 | -171.8 | -108 | -71.7 | 0 | 0 | 0 | 115.6 | D333 K339 | D333-N335 PolarHBondContact O-N 2.89Å; D333-N335 VanDerWaalsContact O-N 3.13Å; N335-K339 WeakPolarHBondContact O-CB 3.48Å; N335-K339 WeakPolarHBondContact O-CG 3.44Å; N335-K339 PolarHBondContact O-N 3.06Å |
| 336 | A | 59.2 | Low | 64.7 | Low | 25 Ų | 25 | 88.8 Ų | 88.8 | 21% | 0.207 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -77.7 | -35.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L282 S334 C338 K339 N340 | L282-A336 HydrophobicContact CD1-CB 3.31Å; L282-A336 HydrophobicContact CD2-CB 3.44Å; L282-A336 VanDerWaalsContact CD2-CB 3.44Å; L282-A336 HydrophobicContact CG-CB 4Å; S334-A336 PolarHBondContact O-N 2.73Å; A336-C338 VanDerWaalsContact C-N 3.28Å; A336-C338 PolarHBondContact O-N 2.86Å; A336-K339 PolarHBondContact O-N 3.19Å; A336-K339 VanDerWaalsContact O-N 3.17Å; A336-N340 PolarHBondContact O-N 2.95Å; A336-N340 VanDerWaalsContact O-N 3.11Å |
| 337 | L | 58.4 | Low | 63.9 | Low | 58 Ų | 58 | 93.3 Ų | 93.3 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 169.6 | -73 | 168.3 | 0 | 0 | 0 | 109.9 | V285 V331 L332 S334 K339 | V285-L337 HydrophobicContact CG1-CD2 3.76Å; V285-L337 HydrophobicContact CG2-CD2 4.48Å; V331-L337 WeakPolarHBondContact O-CD1 3.39Å; L332-L337 HydrophobicContact CD2-CD1 4.17Å; S334-L337 PolarHBondContact O-N 2.83Å; S334-L337 VanDerWaalsContact O-N 3.17Å; L337-K339 PolarHBondContact O-N 3.32Å |
| 338 | C | 57.9 | Low | 62.9 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 51% | 0.507 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -34.4 | 174.2 | -67.3 | 0 | 0 | 0 | 0 | 114 | A336 | A336-C338 VanDerWaalsContact C-N 3.28Å; A336-C338 PolarHBondContact O-N 2.86Å |
| 339 | K | 59.7 | Low | 61.7 | Low | 133 Ų | 133 | 103.4 Ų | 103.4 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.9 | -31.6 | 179.6 | -81.8 | 169.1 | -179 | -175.5 | 0 | 113.4 | N335 A336 L337 R341 R342 | N335-K339 WeakPolarHBondContact O-CB 3.48Å; N335-K339 WeakPolarHBondContact O-CG 3.44Å; N335-K339 PolarHBondContact O-N 3.06Å; A336-K339 PolarHBondContact O-N 3.19Å; A336-K339 VanDerWaalsContact O-N 3.17Å; L337-K339 PolarHBondContact O-N 3.32Å; K339-R341 VanDerWaalsContact C-N 3.28Å; K339-R341 PolarHBondContact O-N 3.14Å; K339-R342 PolarHBondContact O-N 2.78Å |
| 340 | N | 55.7 | Low | 60.5 | Low | 68 Ų | 68 | 109 Ų | 109 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 177.7 | -83.4 | -17.3 | 0 | 0 | 0 | 112.3 | A336 R343 | A336-N340 PolarHBondContact O-N 2.95Å; A336-N340 VanDerWaalsContact O-N 3.11Å; N340-R343 PolarHBondContact O-N 3.23Å |
| 341 | R | 46.7 | Very low | 59.5 | Low | 158 Ų | 158 | 108.2 Ų | 108.2 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.3 | -52.7 | 173.1 | -171.4 | 176.6 | -177.8 | 162.8 | 4.4 | 112.5 | K339 R343 N344 D345 | K339-R341 VanDerWaalsContact C-N 3.28Å; K339-R341 PolarHBondContact O-N 3.14Å; R341-R343 PolarHBondContact O-N 3.22Å; R341-N344 PolarHBondContact O-N 3.1Å; R341-D345 PolarHBondContact O-N 3.01Å |
| 342 | R | 55.4 | Low | 58.5 | Low | 195 Ų | 195 | 112.4 Ų | 112.4 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -18.5 | -178.6 | -66.6 | -171.8 | -179.2 | -173.3 | 1.3 | 114.6 | K339 | K339-R342 PolarHBondContact O-N 2.78Å |
| 343 | R | 56.5 | Low | 57.5 | Low | 183 Ų | 183 | 117.2 Ų | 117.2 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -84.4 | -21.5 | 176 | -74.1 | -179.4 | 167.9 | 174.6 | -4.6 | 113.4 | N340 R341 | N340-R343 PolarHBondContact O-N 3.23Å; R341-R343 PolarHBondContact O-N 3.22Å |
| 344 | N | 54.4 | Low | 56.3 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -92.5 | -42.3 | 179.8 | -67.8 | -7.2 | 0 | 0 | 0 | 111 | R341 K346 K347 Q348 | R341-N344 PolarHBondContact O-N 3.1Å; N344-K346 PolarHBondContact O-N 3.2Å; N344-K347 PolarHBondContact O-N 2.66Å; N344-Q348 PolarHBondContact O-N 2.77Å |
| 345 | D | 57.3 | Low | 54.9 | Low | 92 Ų | 92 | 127.4 Ų | 127.4 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -51.5 | -45.4 | 176.2 | -56.3 | -30.2 | 0 | 0 | 0 | 111.1 | R341 K347 Q348 | R341-D345 PolarHBondContact O-N 3.01Å; D345-K347 PolarHBondContact O-N 3.29Å; D345-Q348 PolarHBondContact O-N 2.93Å |
| 346 | K | 57.9 | Low | 54.1 | Low | 156 Ų | 156 | 127.7 Ų | 127.7 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.8 | -7.3 | 177.5 | -73.4 | -161.7 | 170.1 | -154.3 | 0 | 116.1 | N344 | N344-K346 PolarHBondContact O-N 3.2Å |
| 347 | K | 56.6 | Low | 53.5 | Low | 168 Ų | 168 | 133 Ų | 133 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -96.9 | -19.1 | 174.6 | -72.7 | -171.2 | 174.3 | -172.3 | 0 | 113.1 | N344 D345 | N344-K347 PolarHBondContact O-N 2.66Å; D345-K347 PolarHBondContact O-N 3.29Å |
| 348 | Q | 51.4 | Low | 52.8 | Low | 133 Ų | 133 | 135 Ų | 135 | 62% | 0.621 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.8 | -35 | 173 | -154.1 | 74.3 | 30.1 | 0 | 0 | 111.1 | N344 D345 Y350 S351 | N344-Q348 PolarHBondContact O-N 2.77Å; D345-Q348 PolarHBondContact O-N 2.93Å; Q348-Y350 PolarHBondContact O-N 3.38Å; Q348-S351 PolarHBondContact O-N 3.03Å; Q348-S351 PolarHBondContact O-OG 2.6Å |
| 349 | E | 51.6 | Low | 51.9 | Low | 145 Ų | 145 | 139 Ų | 139 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -4.2 | -174.6 | -158.9 | 163.9 | -143.2 | 0 | 0 | 115 | ||
| 350 | Y | 53.2 | Low | 51 | Low | 202 Ų | 202 | 138.3 Ų | 138.3 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -2.5 | -178.7 | -87.6 | -87.7 | 0 | 0 | 0 | 115.2 | Q348 | Q348-Y350 PolarHBondContact O-N 3.38Š|
| 351 | S | 54.4 | Low | 50.2 | Low | 62 Ų | 62 | 140.7 Ų | 140.7 | 43% | 0.434 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | -29.9 | 176.5 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | Q348 N353 | Q348-S351 PolarHBondContact O-N 3.03Å; Q348-S351 PolarHBondContact O-OG 2.6Å; S351-N353 VanDerWaalsContact C-N 3.32Å; S351-N353 PolarHBondContact O-N 3.17Å |
| 352 | D | 54.2 | Low | 50.3 | Low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 10 | -156.2 | -60.2 | 5 | 0 | 0 | 0 | 113.8 | ||
| 353 | N | 53.2 | Low | 49.8 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 7.9 | -176.9 | -82.4 | -55.4 | 0 | 0 | 0 | 114.9 | S351 K355 | S351-N353 VanDerWaalsContact C-N 3.32Å; S351-N353 PolarHBondContact O-N 3.17Å; N353-K355 PolarHBondContact O-N 3.27Å |
| 354 | L | 51.7 | Low | 49.3 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -77.8 | 70.1 | 173.9 | -80.6 | 171.1 | 0 | 0 | 0 | 111.9 | C356 | L354-C356 PolarHBondContact O-N 3.38Š| ||
| 355 | K | 45.6 | Very low | 48.9 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | -69.1 | 98.6 | 176.1 | -166 | 172.9 | -174.6 | 176.9 | 0 | 110.3 | N353 N357 | N353-K355 PolarHBondContact O-N 3.27Å; K355-N357 PolarHBondContact O-N 3.32Å | ||
| 356 | C | 45.5 | Very low | 48.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | -75.6 | 91.4 | -174.6 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | L354 C358 | L354-C356 PolarHBondContact O-N 3.38Å; C356-C358 VanDerWaalsContact C-N 3.27Å; C356-C358 PolarHBondContact O-N 3.11Å | ||
| 357 | N | 45.7 | Very low | 47.9 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -79.1 | 72.1 | 169.5 | -73.7 | 1.7 | 0 | 0 | 0 | 110.8 | K355 L359 | K355-N357 PolarHBondContact O-N 3.32Å; N357-L359 PolarHBondContact O-N 3.49Å | ||
| 358 | C | 44.6 | Very low | 47.5 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | trans | -86.5 | 85.5 | 172.7 | -160.8 | 0 | 0 | 0 | 0 | 110.4 | C356 C360 | C356-C358 VanDerWaalsContact C-N 3.27Å; C356-C358 PolarHBondContact O-N 3.11Å; C358-C360 PolarHBondContact O-N 3.17Å | ||
| 359 | L | 39.7 | Very low | 47.2 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -71 | 106.1 | 175.7 | -76.6 | 168.4 | 0 | 0 | 0 | 110.4 | N357 S361 | N357-L359 PolarHBondContact O-N 3.49Å; L359-S361 PolarHBondContact O-N 2.93Å | ||
| 360 | C | 38.8 | Very low | 47.2 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -78.9 | 99 | 172 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | C358 | C358-C360 PolarHBondContact O-N 3.17Š| ||
| 361 | S | 40.6 | Very low | 47 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -103.8 | 96.3 | 167.3 | -64.7 | 0 | 0 | 0 | 0 | 109.5 | L359 | L359-S361 PolarHBondContact O-N 2.93Š| ||
| 362 | S | 47.2 | Very low | 46.7 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -127 | 109.5 | 170.1 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 363 | T | 45 | Very low | 46.6 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -114.4 | 112.2 | -178.7 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 364 | F | 45.8 | Very low | 46.5 | Very low | 205 Ų | 205 | 138.6 Ų | 138.6 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | trans | -135.9 | 154.5 | 155.3 | -87.9 | -78.5 | 0 | 0 | 0 | 109.3 | ||||
| 365 | P | 47.7 | Very low | 46.3 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -92.8 | -179 | -152.4 | 37.2 | -38.5 | 0 | 0 | 0 | 115.4 | ||||
| 366 | K | 51.9 | Low | 46.6 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -65.1 | 156.5 | -169.5 | -62.2 | 178.7 | 176.8 | -178.2 | 0 | 116.2 | ||||
| 367 | D | 41.3 | Very low | 46.7 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -36.7 | 153.4 | 155.4 | -38.9 | -81.5 | 0 | 0 | 0 | 115.9 | ||||
| 368 | H | 47.6 | Very low | 46.9 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | -175.2 | 175.1 | 99.8 | -93.9 | -65.1 | 0 | 0 | 0 | 111.5 | |||||
| 369 | S | 45.6 | Very low | 47 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 109.5 | -166.7 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 370 | E | 52.5 | Low | 47.2 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 77 | 135.3 | 67.2 | -67.8 | 156.3 | -144.8 | 0 | 0 | 111.6 | |||||
| 371 | D | 49.2 | Very low | 47.7 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -156.6 | 179.4 | 19.2 | -154.5 | -4.5 | 0 | 0 | 0 | 113.7 | ||||
| 372 | V | 47.2 | Very low | 48 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | 75.3 | 106 | 154.4 | 175.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 373 | L | 51.2 | Low | 48.3 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | 47.6 | 146.9 | 128.2 | -52.6 | -178.8 | 0 | 0 | 0 | 121.5 | |||||
| 374 | S | 51.9 | Low | 48.9 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | cis | -177.2 | 156.3 | -10.7 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 375 | N | 48.4 | Very low | 49.2 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 64.8 | 154 | 155 | -74.2 | 19.5 | 0 | 0 | 0 | 118.4 | ||||
| 376 | E | 51.2 | Low | 49.3 | Very low | 140 Ų | 140 | 150 Ų | 150 | 65% | 0.654 | 76% | 0.76 | S | S | * | * | cis | -154.5 | 163.8 | -1.7 | -128.1 | 170.5 | 118.3 | 0 | 0 | 113 | ||||
| 377 | N | 47.7 | Very low | 49.2 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 58% | 0.583 | 76% | 0.764 | S | S | * | * | trans | 39 | 121.8 | 151.3 | -57.9 | -33.2 | 0 | 0 | 0 | 121.1 | ||||
| 378 | Y | 49.1 | Very low | 49.7 | Very low | 234 Ų | 234 | 150.8 Ų | 150.8 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | -165.5 | 166 | 89.3 | -103.4 | -76 | 0 | 0 | 0 | 111.1 | |||||
| 379 | R | 46.9 | Very low | 49.7 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -145.9 | 158.5 | -162.7 | -168.8 | -178.4 | -174.9 | -164.3 | 4 | 111.6 | ||||
| 380 | K | 45 | Very low | 49.9 | Very low | 203 Ų | 203 | 154 Ų | 154 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 83.7 | 139 | -178.1 | -53.1 | 171.6 | -177.4 | -179.5 | 0 | 112.8 | ||||
| 381 | A | 47.7 | Very low | 49.8 | Very low | 78 Ų | 78 | 153.5 Ų | 153.5 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | cis | -146.8 | -155.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 382 | D | 47.8 | Very low | 50.1 | Low | 158 Ų | 158 | 153.6 Ų | 153.6 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | cis | -147.4 | -161.1 | 15.2 | -73.6 | -77.7 | 0 | 0 | 0 | 110.8 | ||||
| 383 | E | 52.6 | Low | 50.3 | Low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 152.7 | -173.4 | -58.7 | -173.6 | 116.6 | 0 | 0 | 116.3 | ||
| 384 | P | 58.1 | Low | 50.7 | Low | 126 Ų | 126 | 153 Ų | 153 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 120.3 | 157.2 | 34 | -28.7 | 0 | 0 | 0 | 112.3 | ||
| 385 | V | 52.8 | Low | 51.3 | Low | 134 Ų | 134 | 153 Ų | 153 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 149.9 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 386 | K | 50.3 | Low | 52.1 | Low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 121 | -167.2 | -60.3 | 168.7 | -175.5 | 169.7 | 0 | 113.7 | N388 | K386-N388 PolarHBondContact O-N 3.19Š|
| 387 | E | 48.9 | Very low | 52.3 | Low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | -74.6 | 111.7 | 164.1 | -67 | -171 | 122.9 | 0 | 0 | 110.7 | ||||
| 388 | N | 51 | Low | 53.2 | Low | 145 Ų | 145 | 151.3 Ų | 151.3 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | -145.3 | 14.1 | 180 | -104.4 | -20 | 0 | 0 | 0 | 115.3 | K386 | K386-N388 PolarHBondContact O-N 3.19Š| ||
| 389 | E | 49.2 | Very low | 54 | Low | 126 Ų | 126 | 147 Ų | 147 | 59% | 0.589 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -97.4 | -13 | -174 | -145.2 | -159.8 | 122.7 | 0 | 0 | 115.2 | R393 | E389-R393 IonicContact OE1-CZ 2.6Å; E389-R393 IonicContact OE1-NE 3.89Å; E389-R393 IonicContact OE1-NH2 2.71Å; E389-R393 PolarHBondContact OE1-NH2 2.9Å |
| 390 | Y | 48.3 | Very low | 54.1 | Low | 204 Ų | 204 | 143.7 Ų | 143.7 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -27 | -169.9 | -95.9 | -92.2 | 0 | 0 | 0 | 115.5 | ||
| 391 | H | 51.2 | Low | 54.8 | Low | 162 Ų | 162 | 142.2 Ų | 142.2 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -35 | -175.6 | -86 | -68.9 | 0 | 0 | 0 | 114 | R393 V394 | H391-R393 VanDerWaalsContact C-N 3.27Å; H391-R393 PolarHBondContact O-N 3.19Å; H391-V394 PolarHBondContact O-N 3.22Å; H391-V394 VanDerWaalsContact O-N 3.12Å |
| 392 | E | 55.2 | Low | 55.2 | Low | 146 Ų | 146 | 146.5 Ų | 146.5 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66.2 | -27.7 | -173.6 | -173 | 168.2 | -165.6 | 0 | 0 | 113.4 | V394 N396 | E392-V394 VanDerWaalsContact C-N 3.32Å; E392-V394 PolarHBondContact O-N 3.48Å; E392-N396 PolarHBondContact O-N 3.25Å; E392-N396 PolarHBondContact O-ND2 3.28Å |
| 393 | R | 51 | Low | 55.1 | Low | 172 Ų | 172 | 147.2 Ų | 147.2 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.8 | -26.9 | 176.9 | -60.6 | -172.2 | -173 | -161.8 | 4 | 112.7 | E389 H391 | E389-R393 IonicContact OE1-CZ 2.6Å; E389-R393 IonicContact OE1-NE 3.89Å; E389-R393 IonicContact OE1-NH2 2.71Å; E389-R393 PolarHBondContact OE1-NH2 2.9Å; H391-R393 VanDerWaalsContact C-N 3.27Å; H391-R393 PolarHBondContact O-N 3.19Å |
| 394 | V | 59.7 | Low | 54.8 | Low | 77 Ų | 77 | 142 Ų | 142 | 47% | 0.467 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -76.6 | -46.6 | -177.2 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | H391 E392 M397 K398 | H391-V394 PolarHBondContact O-N 3.22Å; H391-V394 VanDerWaalsContact O-N 3.12Å; E392-V394 VanDerWaalsContact C-N 3.32Å; E392-V394 PolarHBondContact O-N 3.48Å; V394-M397 PolarHBondContact O-N 3.17Å; V394-K398 PolarHBondContact O-N 3.11Å; V394-K398 VanDerWaalsContact O-N 3.17Å |
| 395 | D | 65.2 | Low | 54.3 | Low | 89 Ų | 89 | 139.1 Ų | 139.1 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.4 | -27.7 | -177.1 | -77.7 | -28.1 | 0 | 0 | 0 | 113.2 | M397 K398 K399 | D395-M397 VanDerWaalsContact C-N 3.3Å; D395-M397 PolarHBondContact O-N 3.32Å; D395-K398 PolarHBondContact O-N 3.23Å; D395-K398 WeakPolarHBondContact OD1-CD 3.49Å; D395-K398 IonicContact OD1-NZ 2.66Å; D395-K398 PolarHBondContact OD1-NZ 3.42Å; D395-K399 PolarHBondContact O-N 3.04Å |
| 396 | N | 64.6 | Low | 54 | Low | 72 Ų | 72 | 138 Ų | 138 | 39% | 0.385 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.8 | -39.9 | 167.8 | -81.9 | -56.4 | 0 | 0 | 0 | 111.7 | E392 K399 F400 | E392-N396 PolarHBondContact O-N 3.25Å; E392-N396 PolarHBondContact O-ND2 3.28Å; N396-K399 WeakPolarHBondContact O-CB 3.42Å; N396-K399 PolarHBondContact O-N 2.95Å; N396-F400 WeakPolarHBondContact O-CD2 3.36Å; N396-F400 PolarHBondContact O-N 3.49Å; N396-F400 VanDerWaalsContact O-N 3.14Å |
| 397 | M | 55.3 | Low | 53.9 | Low | 143 Ų | 143 | 134.6 Ų | 134.6 | 70% | 0.704 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.6 | -33 | 175.8 | -174.1 | 149.2 | 53 | 0 | 0 | 113.1 | V394 D395 K401 | V394-M397 PolarHBondContact O-N 3.17Å; D395-M397 VanDerWaalsContact C-N 3.3Å; D395-M397 PolarHBondContact O-N 3.32Å; M397-K401 PolarHBondContact O-N 2.97Å |
| 398 | K | 67.6 | Low | 53.9 | Low | 136 Ų | 136 | 133.8 Ų | 133.8 | 59% | 0.591 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.8 | -43.5 | 168 | -73.9 | -178.8 | -165.7 | 146.7 | 0 | 112.2 | V394 D395 F400 K401 | V394-K398 PolarHBondContact O-N 3.11Å; V394-K398 VanDerWaalsContact O-N 3.17Å; D395-K398 PolarHBondContact O-N 3.23Å; D395-K398 WeakPolarHBondContact OD1-CD 3.49Å; D395-K398 IonicContact OD1-NZ 2.66Å; D395-K398 PolarHBondContact OD1-NZ 3.42Å; K398-F400 PolarHBondContact O-N 3.36Å; K398-K401 PolarHBondContact O-N 3.17Å |
| 399 | K | 66.3 | Low | 53.7 | Low | 144 Ų | 144 | 134.5 Ų | 134.5 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -56.2 | -49.1 | 178.4 | -108.2 | 173.2 | 179.7 | 169.6 | 0 | 111.8 | D395 N396 K401 K402 Y403 | D395-K399 PolarHBondContact O-N 3.04Å; N396-K399 WeakPolarHBondContact O-CB 3.42Å; N396-K399 PolarHBondContact O-N 2.95Å; K399-K401 VanDerWaalsContact C-N 3.33Å; K399-K401 PolarHBondContact O-N 3.41Å; K399-K402 PolarHBondContact O-N 3.15Å; K399-Y403 WeakPolarHBondContact O-CD2 3.36Å |
| 400 | F | 47.8 | Very low | 53.3 | Low | 155 Ų | 155 | 136.3 Ų | 136.3 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.9 | -36.2 | 179.6 | -90.2 | -81.5 | 0 | 0 | 0 | 113.7 | N396 K398 K402 Y403 A404 | N396-F400 WeakPolarHBondContact O-CD2 3.36Å; N396-F400 PolarHBondContact O-N 3.49Å; N396-F400 VanDerWaalsContact O-N 3.14Å; K398-F400 PolarHBondContact O-N 3.36Å; F400-K402 PolarHBondContact O-N 3.36Å; F400-Y403 PolarHBondContact O-N 3.07Å; F400-Y403 VanDerWaalsContact O-N 3.14Å; F400-A404 PolarHBondContact O-N 3.37Å |
| 401 | K | 59.2 | Low | 53 | Low | 173 Ų | 173 | 132.6 Ų | 132.6 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61 | -26.4 | 179.1 | -157.7 | 173.8 | -175.1 | 179.7 | 0 | 112.9 | M397 K398 K399 | M397-K401 PolarHBondContact O-N 2.97Å; K398-K401 PolarHBondContact O-N 3.17Å; K399-K401 VanDerWaalsContact C-N 3.33Å; K399-K401 PolarHBondContact O-N 3.41Å |
| 402 | K | 56.6 | Low | 52.8 | Low | 167 Ų | 167 | 130.5 Ų | 130.5 | 73% | 0.726 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.1 | -30.1 | 177.7 | -162 | 172.9 | -175.7 | 177.2 | 0 | 113.4 | K399 F400 | K399-K402 PolarHBondContact O-N 3.15Å; F400-K402 PolarHBondContact O-N 3.36Å |
| 403 | Y | 47 | Very low | 52.2 | Low | 173 Ų | 173 | 129 Ų | 129 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.1 | -37.5 | 178.8 | -73.4 | -81.2 | 0 | 0 | 0 | 112.7 | K399 F400 A405 V406 | K399-Y403 WeakPolarHBondContact O-CD2 3.36Å; F400-Y403 PolarHBondContact O-N 3.07Å; F400-Y403 VanDerWaalsContact O-N 3.14Å; Y403-A405 VanDerWaalsContact C-N 3.27Å; Y403-A405 PolarHBondContact O-N 3.2Å; Y403-V406 PolarHBondContact O-N 2.92Å |
| 404 | A | 44.5 | Very low | 52.4 | Low | 66 Ų | 66 | 125.8 Ų | 125.8 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -61.3 | -32.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F400 | F400-A404 PolarHBondContact O-N 3.37Å |
| 405 | A | 48 | Very low | 51.5 | Low | 66 Ų | 66 | 129.3 Ų | 129.3 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -69.5 | -31.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y403 S407 Q408 | Y403-A405 VanDerWaalsContact C-N 3.27Å; Y403-A405 PolarHBondContact O-N 3.2Å; A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 3.12Å; A405-Q408 PolarHBondContact O-N 3.3Å |
| 406 | V | 48 | Very low | 50.8 | Low | 111 Ų | 111 | 135.9 Ų | 135.9 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -72.4 | -21.7 | -177.3 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | Y403 Q408 | Y403-V406 PolarHBondContact O-N 2.92Å; V406-Q408 VanDerWaalsContact C-N 3.35Å; V406-Q408 PolarHBondContact O-N 3.21Å |
| 407 | S | 47.5 | Very low | 49.7 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -0.1 | 178.9 | -56 | 0 | 0 | 0 | 0 | 115 | A405 | A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 3.12Å |
| 408 | Q | 49.7 | Very low | 49.5 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 2.8 | -178.1 | -68.7 | -164.5 | -32.6 | 0 | 0 | 114.9 | A405 V406 | A405-Q408 PolarHBondContact O-N 3.3Å; V406-Q408 VanDerWaalsContact C-N 3.35Å; V406-Q408 PolarHBondContact O-N 3.21Å |
| 409 | M | 45.3 | Very low | 48.2 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -128.2 | 99.2 | 174.3 | -73.4 | -174.4 | 159.9 | 0 | 0 | 110.4 | ||
| 410 | N | 41.6 | Very low | 47.2 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | 169.1 | 71.1 | 153.6 | -87.4 | -23.9 | 0 | 0 | 0 | 109.9 | ||||
| 411 | S | 41.1 | Very low | 47 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -137.3 | 53.1 | 177.2 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 412 | S | 48.1 | Very low | 46.8 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -115.2 | 120 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 413 | S | 42.7 | Very low | 46.6 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 6.1 | 118.2 | 165.8 | -167.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 414 | S | 54.3 | Low | 47.1 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -150.9 | 131.1 | 132.7 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 415 | N | 41 | Very low | 47.9 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | -90.8 | 106.4 | 175 | -73.2 | -18.2 | 0 | 0 | 0 | 109.1 | ||||
| 416 | Y | 51.2 | Low | 48.8 | Very low | 228 Ų | 228 | 131 Ų | 131 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | -138.9 | 123.3 | 160 | -91.5 | -75 | 0 | 0 | 0 | 111.4 | ||||
| 417 | E | 40.5 | Very low | 50.1 | Low | 190 Ų | 190 | 128.3 Ų | 128.3 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -99 | 104.4 | -170.5 | 178.4 | 176.8 | -161.1 | 0 | 0 | 110.1 | ||||
| 418 | S | 50.5 | Low | 51.1 | Low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -161.5 | 102.7 | 170.9 | -84.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 419 | Q | 41.8 | Very low | 52.1 | Low | 186 Ų | 186 | 123.7 Ų | 123.7 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | 27.3 | 101.9 | 142.2 | -52.6 | -178 | 15.5 | 0 | 0 | 119 | ||||
| 420 | T | 44.1 | Very low | 53.3 | Low | 118 Ų | 118 | 119.2 Ų | 119.2 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | -160.7 | 60.4 | 154.4 | 16.4 | 0 | 0 | 0 | 0 | 111.4 | S422 | T420-S422 VanDerWaalsContact C-N 3.32Å; T420-S422 PolarHBondContact O-N 2.68Å | ||
| 421 | S | 45.1 | Very low | 54.8 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 53.8 | -162.9 | -46.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 422 | S | 54.8 | Low | 56.4 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.4 | -23.4 | 178.2 | 64.3 | 0 | 0 | 0 | 0 | 117.1 | T420 | T420-S422 VanDerWaalsContact C-N 3.32Å; T420-S422 PolarHBondContact O-N 2.68Å |
| 423 | S | 51.7 | Low | 57.7 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 57% | 0.573 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -88 | -17 | -171.8 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 424 | T | 56.7 | Low | 59.2 | Low | 89 Ų | 89 | 117.1 Ų | 117.1 | 55% | 0.546 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.2 | -47 | -170.9 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | L426 S427 E428 | T424-L426 VanDerWaalsContact C-N 3.34Å; T424-L426 PolarHBondContact O-N 2.96Å; T424-S427 WeakPolarHBondContact O-CB 3.39Å; T424-S427 PolarHBondContact O-N 2.71Å; T424-E428 PolarHBondContact O-N 2.91Å; T424-E428 VanDerWaalsContact O-N 3.08Å |
| 425 | N | 62 | Low | 60 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -54.7 | -44.4 | -175.5 | -78.8 | -26.2 | 0 | 0 | 0 | 112.9 | N319 S427 E428 I429 | N319-N425 PolarHBondContact ND2-OD1 3.25Å; N425-S427 VanDerWaalsContact C-N 3.33Å; N425-S427 PolarHBondContact O-N 2.86Å; N425-E428 PolarHBondContact O-N 3.13Å; N425-I429 VanDerWaalsContact O-CG1 3.31Å; N425-I429 WeakPolarHBondContact O-CG1 3.43Å; N425-I429 PolarHBondContact O-N 3.43Å |
| 426 | L | 67.6 | Low | 61.5 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.7 | -34.5 | 178.5 | -76.1 | 170.8 | 0 | 0 | 0 | 112.6 | T424 C430 | T424-L426 VanDerWaalsContact C-N 3.34Å; T424-L426 PolarHBondContact O-N 2.96Å; L426-C430 VanDerWaalsContact O-CB 3.32Å; L426-C430 WeakPolarHBondContact O-CB 3.35Å; L426-C430 PolarHBondContact O-N 3.22Å; L426-C430 PolarHBondContact O-SG 3.44Å |
| 427 | S | 75.3 | Confident | 62.6 | Low | 55 Ų | 55 | 103.8 Ų | 103.8 | 39% | 0.385 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -40.7 | 176 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | T424 N425 R431 | T424-S427 WeakPolarHBondContact O-CB 3.39Å; T424-S427 PolarHBondContact O-N 2.71Å; N425-S427 VanDerWaalsContact C-N 3.33Å; N425-S427 PolarHBondContact O-N 2.86Å; S427-R431 VanDerWaalsContact O-CG 3.23Å; S427-R431 WeakPolarHBondContact O-CG 3.13Å; S427-R431 PolarHBondContact O-N 2.96Å |
| 428 | E | 68.6 | Low | 64.2 | Low | 102 Ų | 102 | 100.8 Ų | 100.8 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71 | -44.2 | 179 | -171.1 | 158 | -140.4 | 0 | 0 | 112.6 | T424 N425 C430 R431 N432 | T424-E428 PolarHBondContact O-N 2.91Å; T424-E428 VanDerWaalsContact O-N 3.08Å; N425-E428 PolarHBondContact O-N 3.13Å; E428-C430 VanDerWaalsContact C-N 3.34Å; E428-C430 PolarHBondContact O-N 2.94Å; E428-R431 WeakPolarHBondContact O-CB 3.38Å; E428-R431 PolarHBondContact O-N 3.24Å; E428-R431 VanDerWaalsContact O-N 3.13Å; E428-N432 VanDerWaalsContact O-CG 3.3Å; E428-N432 PolarHBondContact O-N 3.42Å |
| 429 | I | 69.8 | Low | 65.3 | Low | 82 Ų | 82 | 97.2 Ų | 97.2 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.8 | -47 | 172.8 | -67 | 164.2 | 0 | 0 | 0 | 110.6 | N425 R431 N432 I433 | N425-I429 VanDerWaalsContact O-CG1 3.31Å; N425-I429 WeakPolarHBondContact O-CG1 3.43Å; N425-I429 PolarHBondContact O-N 3.43Å; I429-R431 VanDerWaalsContact C-N 3.3Å; I429-R431 PolarHBondContact O-N 3.03Å; I429-N432 PolarHBondContact O-N 3.46Å; I429-I433 HydrophobicContact CG2-CD1 3.81Å; I429-I433 HydrophobicContact CG2-CG1 4.49Å; I429-I433 WeakPolarHBondContact O-CG1 3.38Å; I429-I433 PolarHBondContact O-N 2.94Å |
| 430 | C | 70.6 | Confident | 67 | Low | 67 Ų | 67 | 90.6 Ų | 90.6 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -31.3 | 177 | -71 | 0 | 0 | 0 | 0 | 113.6 | L426 E428 R434 | L426-C430 VanDerWaalsContact O-CB 3.32Å; L426-C430 WeakPolarHBondContact O-CB 3.35Å; L426-C430 PolarHBondContact O-N 3.22Å; L426-C430 PolarHBondContact O-SG 3.44Å; E428-C430 VanDerWaalsContact C-N 3.34Å; E428-C430 PolarHBondContact O-N 2.94Å; C430-R434 VanDerWaalsContact O-CG 3.31Å; C430-R434 WeakPolarHBondContact O-CG 3.18Å; C430-R434 PolarHBondContact O-N 2.86Å |
| 431 | R | 73.1 | Confident | 68.6 | Low | 167 Ų | 167 | 93.5 Ų | 93.5 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.1 | -46.7 | 173 | -73.4 | 165.3 | -173.6 | -166.1 | -0.9 | 110.9 | S427 E428 I429 I433 R434 C435 | S427-R431 VanDerWaalsContact O-CG 3.23Å; S427-R431 WeakPolarHBondContact O-CG 3.13Å; S427-R431 PolarHBondContact O-N 2.96Å; E428-R431 WeakPolarHBondContact O-CB 3.38Å; E428-R431 PolarHBondContact O-N 3.24Å; E428-R431 VanDerWaalsContact O-N 3.13Å; I429-R431 VanDerWaalsContact C-N 3.3Å; I429-R431 PolarHBondContact O-N 3.03Å; R431-I433 PolarHBondContact O-N 3.33Å; R431-R434 PolarHBondContact O-N 2.99Å; R431-C435 PolarHBondContact O-N 2.89Å; R431-C435 PolarHBondContact O-SG 3.08Å; R431-C435 VanDerWaalsContact O-SG 3.4Å |
| 432 | N | 75.2 | Confident | 69.8 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | -178.6 | -68.5 | -15.6 | 0 | 0 | 0 | 111.8 | E428 I429 C435 L436 | E428-N432 VanDerWaalsContact O-CG 3.3Å; E428-N432 PolarHBondContact O-N 3.42Å; I429-N432 PolarHBondContact O-N 3.46Å; N432-C435 PolarHBondContact O-N 3.45Å; N432-L436 WeakPolarHBondContact O-CB 3.48Å; N432-L436 PolarHBondContact O-N 3.41Å |
| 433 | I | 74.8 | Confident | 70.6 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 30% | 0.297 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 174.1 | -67.3 | 167.3 | 0 | 0 | 0 | 110.7 | I429 R431 C435 L436 E437 | I429-I433 HydrophobicContact CG2-CD1 3.81Å; I429-I433 HydrophobicContact CG2-CG1 4.49Å; I429-I433 WeakPolarHBondContact O-CG1 3.38Å; I429-I433 PolarHBondContact O-N 2.94Å; R431-I433 PolarHBondContact O-N 3.33Å; I433-C435 VanDerWaalsContact C-N 3.33Å; I433-C435 PolarHBondContact O-N 3.28Å; I433-L436 PolarHBondContact O-N 2.91Å; I433-E437 HydrophobicContact CG2-CG 4.36Å; I433-E437 WeakPolarHBondContact O-CG 3.38Å; I433-E437 PolarHBondContact O-N 2.91Å |
| 434 | R | 75.1 | Confident | 71.6 | Confident | 183 Ų | 183 | 87.9 Ų | 87.9 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.5 | -36.1 | 179.5 | -75.2 | 176.7 | 178 | -171.9 | 0.7 | 113.7 | C430 R431 Y438 | C430-R434 VanDerWaalsContact O-CG 3.31Å; C430-R434 WeakPolarHBondContact O-CG 3.18Å; C430-R434 PolarHBondContact O-N 2.86Å; R431-R434 PolarHBondContact O-N 2.99Å; R434-Y438 WeakPolarHBondContact O-CB 3.49Å; R434-Y438 PolarHBondContact O-N 3.39Å; R434-Y438 VanDerWaalsContact O-N 3.17Å |
| 435 | C | 70.4 | Confident | 72.4 | Confident | 71 Ų | 71 | 88 Ų | 88 | 48% | 0.48 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 170.4 | -73 | 0 | 0 | 0 | 0 | 110.1 | R431 N432 I433 E437 Y438 I439 | R431-C435 PolarHBondContact O-N 2.89Å; R431-C435 PolarHBondContact O-SG 3.08Å; R431-C435 VanDerWaalsContact O-SG 3.4Å; N432-C435 PolarHBondContact O-N 3.45Å; I433-C435 VanDerWaalsContact C-N 3.33Å; I433-C435 PolarHBondContact O-N 3.28Å; C435-E437 PolarHBondContact O-N 3.13Å; C435-Y438 CarbonylContact O-C 3.59Å; C435-Y438 WeakPolarHBondContact O-CB 3.41Å; C435-Y438 PolarHBondContact O-N 2.85Å; C435-Y438 VanDerWaalsContact O-N 3.11Å; C435-I439 HydrophobicContact CB-CD1 4.38Å; C435-I439 VanDerWaalsContact O-CD1 3.23Å; C435-I439 WeakPolarHBondContact O-CD1 3.36Å; C435-I439 WeakPolarHBondContact O-CG1 3.48Å; C435-I439 PolarHBondContact O-N 2.96Å |
| 436 | L | 72.5 | Confident | 72.5 | Confident | 15 Ų | 15 | 87.8 Ų | 87.8 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | -175 | -157.8 | 48.3 | 0 | 0 | 0 | 112.7 | A298 L302 N432 I433 Y438 I439 I440 | A298-L436 HydrophobicContact CB-CD1 3.8Å; A298-L436 HydrophobicContact CB-CG 4.46Å; L302-L436 HydrophobicContact CD1-CD2 4.2Å; L302-L436 HydrophobicContact CD1-CG 4.16Å; L302-L436 HydrophobicContact CD2-CB 4.45Å; L302-L436 HydrophobicContact CD2-CD2 3.81Å; L302-L436 HydrophobicContact CD2-CG 4.3Å; L302-L436 HydrophobicContact CG-CD2 3.65Å; L302-L436 HydrophobicContact CG-CG 4.15Å; N432-L436 WeakPolarHBondContact O-CB 3.48Å; N432-L436 PolarHBondContact O-N 3.41Å; I433-L436 PolarHBondContact O-N 2.91Å; L436-Y438 PolarHBondContact O-N 3.1Å; L436-I439 HydrophobicContact CD1-CB 4.49Å; L436-I439 HydrophobicContact CD1-CD1 4.13Å; L436-I439 PolarHBondContact O-N 3.04Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.08Å; L436-I440 PolarHBondContact O-N 3.37Å |
| 437 | E | 74.7 | Confident | 72.3 | Confident | 116 Ų | 116 | 85 Ų | 85 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 167.1 | -70.4 | 174.6 | 152.1 | 0 | 0 | 112.1 | I433 C435 I440 R441 | I433-E437 HydrophobicContact CG2-CG 4.36Å; I433-E437 WeakPolarHBondContact O-CG 3.38Å; I433-E437 PolarHBondContact O-N 2.91Å; C435-E437 PolarHBondContact O-N 3.13Å; E437-I440 PolarHBondContact O-N 3.03Å; E437-R441 WeakPolarHBondContact O-CB 3.48Å; E437-R441 PolarHBondContact O-N 3.34Å |
| 438 | Y | 74.4 | Confident | 71.8 | Confident | 128 Ų | 128 | 88.1 Ų | 88.1 | 50% | 0.502 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 178.2 | 173.8 | -103.9 | 0 | 0 | 0 | 112.1 | R434 C435 L436 R441 L442 | R434-Y438 WeakPolarHBondContact O-CB 3.49Å; R434-Y438 PolarHBondContact O-N 3.39Å; R434-Y438 VanDerWaalsContact O-N 3.17Å; C435-Y438 CarbonylContact O-C 3.59Å; C435-Y438 WeakPolarHBondContact O-CB 3.41Å; C435-Y438 PolarHBondContact O-N 2.85Å; C435-Y438 VanDerWaalsContact O-N 3.11Å; L436-Y438 PolarHBondContact O-N 3.1Å; Y438-R441 PolarHBondContact O-N 3.46Å; Y438-L442 HydrophobicContact CD1-CD1 3.97Å; Y438-L442 HydrophobicContact CE1-CD1 3.45Å; Y438-L442 VanDerWaalsContact CE1-CD1 3.45Å; Y438-L442 HydrophobicContact CE1-CG 4.18Å; Y438-L442 HydrophobicContact CE2-CD1 4.44Å; Y438-L442 HydrophobicContact CE2-CG 4.35Å; Y438-L442 WeakPolarHBondContact O-CG 3.44Å; Y438-L442 PolarHBondContact O-N 3.36Å |
| 439 | I | 73.8 | Confident | 71.2 | Confident | 29 Ų | 29 | 87.7 Ų | 87.7 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 175.2 | -67.5 | 150.8 | 0 | 0 | 0 | 110.8 | L332 C435 L436 R441 L442 L443 | L332-I439 HydrophobicContact CD1-CD1 3.53Å; L332-I439 HydrophobicContact CD1-CG1 4.09Å; L332-I439 HydrophobicContact CD1-CG2 4.07Å; L332-I439 HydrophobicContact CD2-CG1 4.39Å; L332-I439 HydrophobicContact CD2-CG2 3.86Å; C435-I439 HydrophobicContact CB-CD1 4.38Å; C435-I439 VanDerWaalsContact O-CD1 3.23Å; C435-I439 WeakPolarHBondContact O-CD1 3.36Å; C435-I439 WeakPolarHBondContact O-CG1 3.48Å; C435-I439 PolarHBondContact O-N 2.96Å; L436-I439 HydrophobicContact CD1-CB 4.49Å; L436-I439 HydrophobicContact CD1-CD1 4.13Å; L436-I439 PolarHBondContact O-N 3.04Å; I439-R441 VanDerWaalsContact C-N 3.35Å; I439-R441 PolarHBondContact O-N 3.19Å; I439-L442 PolarHBondContact O-N 3.27Å; I439-L443 HydrophobicContact CG2-CD1 3.82Å; I439-L443 WeakPolarHBondContact O-CG 3.3Å; I439-L443 PolarHBondContact O-N 3.45Å |
| 440 | I | 76.2 | Confident | 70.8 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.8 | -69.6 | 164.6 | 0 | 0 | 0 | 110.5 | L295 L302 L436 E437 L442 L443 N444 | L295-I440 HydrophobicContact CD2-CG1 4.39Å; L302-I440 HydrophobicContact CD1-CD1 3.55Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.08Å; L436-I440 PolarHBondContact O-N 3.37Å; E437-I440 PolarHBondContact O-N 3.03Å; I440-L442 PolarHBondContact O-N 3.06Å; I440-L443 PolarHBondContact O-N 3.26Å; I440-N444 WeakPolarHBondContact O-CB 3.29Å; I440-N444 VanDerWaalsContact O-CG 3.29Å; I440-N444 PolarHBondContact O-N 3.33Å; I440-N444 PolarHBondContact O-OD1 2.99Å |
| 441 | R | 77.6 | Confident | 70.2 | Confident | 179 Ų | 179 | 87.6 Ų | 87.6 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 174.4 | 177.5 | 174.2 | -85 | 169.2 | -5.9 | 112.5 | E437 Y438 I439 L443 N445 | E437-R441 WeakPolarHBondContact O-CB 3.48Å; E437-R441 PolarHBondContact O-N 3.34Å; Y438-R441 PolarHBondContact O-N 3.46Å; I439-R441 VanDerWaalsContact C-N 3.35Å; I439-R441 PolarHBondContact O-N 3.19Å; R441-L443 VanDerWaalsContact C-N 3.35Å; R441-L443 PolarHBondContact O-N 3.41Å; R441-N445 PolarHBondContact O-N 3.29Å; R441-N445 VanDerWaalsContact O-N 3.13Å; R441-N445 PolarHBondContact O-OD1 3.37Å; R441-N445 VanDerWaalsContact O-OD1 3.09Å |
| 442 | L | 71 | Confident | 69.8 | Low | 87 Ų | 87 | 85.3 Ų | 85.3 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 176 | -78.9 | 177.4 | 0 | 0 | 0 | 112.4 | Y438 I439 I440 R446 | Y438-L442 HydrophobicContact CD1-CD1 3.97Å; Y438-L442 HydrophobicContact CE1-CD1 3.45Å; Y438-L442 VanDerWaalsContact CE1-CD1 3.45Å; Y438-L442 HydrophobicContact CE1-CG 4.18Å; Y438-L442 HydrophobicContact CE2-CD1 4.44Å; Y438-L442 HydrophobicContact CE2-CG 4.35Å; Y438-L442 WeakPolarHBondContact O-CG 3.44Å; Y438-L442 PolarHBondContact O-N 3.36Å; I439-L442 PolarHBondContact O-N 3.27Å; I440-L442 PolarHBondContact O-N 3.06Å; L442-R446 PolarHBondContact O-N 3.39Å |
| 443 | L | 72.2 | Confident | 69.3 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 13% | 0.131 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.8 | -47.4 | -179.9 | -70.4 | 165.7 | 0 | 0 | 0 | 110.8 | L295 I439 I440 R441 N445 R446 F447 | L295-L443 HydrophobicContact CD1-CB 4.33Å; L295-L443 HydrophobicContact CD2-CB 3.92Å; L295-L443 HydrophobicContact CD2-CD1 3.61Å; L295-L443 HydrophobicContact CD2-CG 4.4Å; L295-L443 HydrophobicContact CG-CB 4.31Å; L295-L443 HydrophobicContact CG-CD1 3.92Å; I439-L443 HydrophobicContact CG2-CD1 3.82Å; I439-L443 WeakPolarHBondContact O-CG 3.3Å; I439-L443 PolarHBondContact O-N 3.45Å; I440-L443 PolarHBondContact O-N 3.26Å; R441-L443 VanDerWaalsContact C-N 3.35Å; R441-L443 PolarHBondContact O-N 3.41Å; L443-N445 PolarHBondContact O-N 3.32Å; L443-R446 WeakPolarHBondContact O-CA 3.48Å; L443-R446 VanDerWaalsContact O-CB 3.29Å; L443-R446 WeakPolarHBondContact O-CB 3.37Å; L443-R446 PolarHBondContact O-N 3.27Å; L443-F447 VanDerWaalsContact O-CD2 3.22Å; L443-F447 WeakPolarHBondContact O-CD2 3.45Å; L443-F447 PolarHBondContact O-N 2.66Å |
| 444 | N | 72.8 | Confident | 68.9 | Low | 77 Ų | 77 | 95 Ų | 95 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 177.3 | -70.7 | 0.9 | 0 | 0 | 0 | 112.2 | I440 R446 F447 E448 | I440-N444 WeakPolarHBondContact O-CB 3.29Å; I440-N444 VanDerWaalsContact O-CG 3.29Å; I440-N444 PolarHBondContact O-N 3.33Å; I440-N444 PolarHBondContact O-OD1 2.99Å; N444-R446 PolarHBondContact O-N 3.1Å; N444-F447 WeakPolarHBondContact O-CB 3.38Å; N444-F447 PolarHBondContact O-N 3.09Å; N444-E448 PolarHBondContact O-N 3.39Å; N444-E448 VanDerWaalsContact O-N 3.1Å |
| 445 | N | 72.9 | Confident | 67.7 | Low | 91 Ų | 91 | 96.5 Ų | 96.5 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56.7 | -34.8 | 176 | -69.2 | 11.1 | 0 | 0 | 0 | 112.3 | R441 L443 F447 E449 | R441-N445 PolarHBondContact O-N 3.29Å; R441-N445 VanDerWaalsContact O-N 3.13Å; R441-N445 PolarHBondContact O-OD1 3.37Å; R441-N445 VanDerWaalsContact O-OD1 3.09Å; L443-N445 PolarHBondContact O-N 3.32Å; N445-F447 VanDerWaalsContact C-N 3.31Å; N445-F447 PolarHBondContact O-N 3.46Å; N445-E449 PolarHBondContact O-N 3.24Å; N445-E449 VanDerWaalsContact O-N 3.13Å |
| 446 | R | 64.3 | Low | 67 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 27% | 0.272 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.5 | -22.8 | 177.8 | -159.6 | -177.8 | -172 | -145.1 | -2 | 113 | V285 D286 L442 L443 N444 K450 | V285-R446 PolarHBondContact O-NH1 3.38Å; D286-R446 IonicContact OD1-CZ 2.86Å; D286-R446 IonicContact OD1-NH2 3.41Å; D286-R446 PolarHBondContact OD1-NH2 3.15Å; L442-R446 PolarHBondContact O-N 3.39Å; L443-R446 WeakPolarHBondContact O-CA 3.48Å; L443-R446 VanDerWaalsContact O-CB 3.29Å; L443-R446 WeakPolarHBondContact O-CB 3.37Å; L443-R446 PolarHBondContact O-N 3.27Å; N444-R446 PolarHBondContact O-N 3.1Å; R446-K450 WeakPolarHBondContact O-CG 3.38Å |
| 447 | F | 63.2 | Low | 66.3 | Low | 63 Ų | 63 | 109.4 Ų | 109.4 | 28% | 0.276 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -80.8 | -45.2 | 171.7 | -76.6 | -82.1 | 0 | 0 | 0 | 111.7 | T288 L292 L295 L443 N444 N445 E449 K450 A451 | T288-F447 HydrophobicContact CG2-CE1 3.69Å; T288-F447 HydrophobicContact CG2-CZ 4.28Å; L292-F447 HydrophobicContact CD2-CE1 4.29Å; L292-F447 HydrophobicContact CD2-CZ 3.87Å; L292-F447 HydrophobicContact CG-CE1 4.48Å; L292-F447 HydrophobicContact CG-CZ 4.07Å; L295-F447 HydrophobicContact CD1-CE2 3.73Å; L295-F447 HydrophobicContact CD1-CZ 4.41Å; L443-F447 VanDerWaalsContact O-CD2 3.22Å; L443-F447 WeakPolarHBondContact O-CD2 3.45Å; L443-F447 PolarHBondContact O-N 2.66Å; N444-F447 WeakPolarHBondContact O-CB 3.38Å; N444-F447 PolarHBondContact O-N 3.09Å; N445-F447 VanDerWaalsContact C-N 3.31Å; N445-F447 PolarHBondContact O-N 3.46Å; F447-E449 PolarHBondContact O-N 3.18Å; F447-K450 WeakPolarHBondContact O-CB 3.37Å; F447-K450 PolarHBondContact O-N 3.26Å; F447-A451 PolarHBondContact O-N 2.89Å |
| 448 | E | 65.3 | Low | 65 | Low | 121 Ų | 121 | 111.7 Ų | 111.7 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -43.9 | 177.5 | -70.7 | -177.4 | -171.7 | 0 | 0 | 112.3 | N444 K450 A451 I452 | N444-E448 PolarHBondContact O-N 3.39Å; N444-E448 VanDerWaalsContact O-N 3.1Å; E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.04Å; E448-A451 WeakPolarHBondContact O-CB 3.44Å; E448-A451 PolarHBondContact O-N 3.35Å; E448-I452 WeakPolarHBondContact O-CG1 3.5Å; E448-I452 PolarHBondContact O-N 3.2Å |
| 449 | E | 55.4 | Low | 64 | Low | 92 Ų | 92 | 113.1 Ų | 113.1 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 178 | -160.7 | -158.6 | 142.8 | 0 | 0 | 112.2 | N445 F447 K453 | N445-E449 PolarHBondContact O-N 3.24Å; N445-E449 VanDerWaalsContact O-N 3.13Å; F447-E449 PolarHBondContact O-N 3.18Å; E449-K453 HydrophobicContact CG-CD 4.48Å; E449-K453 WeakPolarHBondContact O-CB 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.49Å; E449-K453 PolarHBondContact O-N 3.37Å; E449-K453 WeakPolarHBondContact OE1-CE 3.44Å; E449-K453 IonicContact OE1-NZ 2.79Å; E449-K453 PolarHBondContact OE1-NZ 3.28Å |
| 450 | K | 62.1 | Low | 63 | Low | 87 Ų | 87 | 117.6 Ų | 117.6 | 38% | 0.378 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -31.7 | 174.2 | -77.4 | 178.8 | 174.5 | -179.4 | 0 | 112.3 | T288 R446 F447 E448 | T288-K450 PolarHBondContact OG1-NZ 3.04Å; R446-K450 WeakPolarHBondContact O-CG 3.38Å; F447-K450 WeakPolarHBondContact O-CB 3.37Å; F447-K450 PolarHBondContact O-N 3.26Å; E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.04Å |
| 451 | A | 58.3 | Low | 61.6 | Low | 61 Ų | 61 | 121.2 Ų | 121.2 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.8 | -46.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | F447 E448 K453 K454 R455 | F447-A451 PolarHBondContact O-N 2.89Å; E448-A451 WeakPolarHBondContact O-CB 3.44Å; E448-A451 PolarHBondContact O-N 3.35Å; A451-K453 VanDerWaalsContact C-N 3.3Å; A451-K453 PolarHBondContact O-N 3.33Å; A451-K454 PolarHBondContact O-N 3.46Å; A451-R455 PolarHBondContact O-N 3.39Å |
| 452 | I | 63.2 | Low | 60.3 | Low | 118 Ų | 118 | 122 Ų | 122 | 61% | 0.605 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.4 | -43.9 | 177.7 | -66.5 | 165.9 | 0 | 0 | 0 | 110.5 | E448 K454 R455 | E448-I452 WeakPolarHBondContact O-CG1 3.5Å; E448-I452 PolarHBondContact O-N 3.2Å; I452-K454 PolarHBondContact O-N 3.13Å; I452-K454 VanDerWaalsContact O-N 3.1Å; I452-R455 PolarHBondContact O-N 3.04Å |
| 453 | K | 65.7 | Low | 59.1 | Low | 154 Ų | 154 | 128.1 Ų | 128.1 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -6.7 | 177 | -75.3 | 175.2 | 173.6 | 175.2 | 0 | 115.1 | E449 A451 | E449-K453 HydrophobicContact CG-CD 4.48Å; E449-K453 WeakPolarHBondContact O-CB 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.49Å; E449-K453 PolarHBondContact O-N 3.37Å; E449-K453 WeakPolarHBondContact OE1-CE 3.44Å; E449-K453 IonicContact OE1-NZ 2.79Å; E449-K453 PolarHBondContact OE1-NZ 3.28Å; A451-K453 VanDerWaalsContact C-N 3.3Å; A451-K453 PolarHBondContact O-N 3.33Å |
| 454 | K | 65.5 | Low | 58 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -6 | 175.7 | -79.1 | -173.5 | 173.6 | -172.7 | 0 | 114.6 | A451 I452 P456 | A451-K454 PolarHBondContact O-N 3.46Å; I452-K454 PolarHBondContact O-N 3.13Å; I452-K454 VanDerWaalsContact O-N 3.1Å; K454-P456 WeakPolarHBondContact O-CD 3.33Å |
| 455 | R | 50.4 | Low | 56.9 | Low | 213 Ų | 213 | 138.1 Ų | 138.1 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | trans | -66.6 | 121.2 | 173.8 | -78.7 | -172.4 | 171.3 | 178.6 | -2.2 | 109.8 | A451 I452 | A451-R455 PolarHBondContact O-N 3.39Å; I452-R455 PolarHBondContact O-N 3.04Å | ||
| 456 | P | 56.1 | Low | 55.7 | Low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | -64.7 | 141.9 | 170.4 | 28.6 | -33.5 | 0 | 0 | 0 | 109.2 | K454 H458 | K454-P456 WeakPolarHBondContact O-CD 3.33Å; P456-H458 PolarHBondContact O-N 3.12Å; P456-H458 VanDerWaalsContact O-N 3.14Å | ||
| 457 | R | 57.4 | Low | 55.3 | Low | 236 Ų | 236 | 143.6 Ų | 143.6 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | trans | -71 | 108.7 | 173 | -69 | -177.8 | 178.1 | -176.6 | -2.4 | 108.5 | M459 | R457-M459 PolarHBondContact O-N 2.8Š| ||
| 458 | H | 47.2 | Very low | 54.6 | Low | 165 Ų | 165 | 150.9 Ų | 150.9 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | -62.2 | 118.9 | 166.3 | -165.2 | -93.1 | 0 | 0 | 0 | 108 | P456 D460 | P456-H458 PolarHBondContact O-N 3.12Å; P456-H458 VanDerWaalsContact O-N 3.14Å; H458-D460 IonicContact CE1-OD1 2.89Å; H458-D460 PolarHBondContact CE1-OD1 3.47Å; H458-D460 IonicContact ND1-OD1 2.71Å; H458-D460 PolarHBondContact ND1-OD1 3.32Å | ||
| 459 | M | 53.9 | Low | 54.1 | Low | 158 Ų | 158 | 154.7 Ų | 154.7 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | -94.6 | 112 | 174.9 | -84.2 | -70.8 | -148.7 | 0 | 0 | 108.3 | R457 C461 | R457-M459 PolarHBondContact O-N 2.8Å; M459-C461 PolarHBondContact O-N 3.25Å | ||
| 460 | D | 52.3 | Low | 53.5 | Low | 123 Ų | 123 | 155.4 Ų | 155.4 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | -74.9 | 90.3 | 179.9 | -65.8 | -18.9 | 0 | 0 | 0 | 110.6 | H458 K462 | H458-D460 IonicContact CE1-OD1 2.89Å; H458-D460 PolarHBondContact CE1-OD1 3.47Å; H458-D460 IonicContact ND1-OD1 2.71Å; H458-D460 PolarHBondContact ND1-OD1 3.32Å; D460-K462 VanDerWaalsContact C-N 3.25Å; D460-K462 PolarHBondContact O-N 3.42Å | ||
| 461 | C | 47.7 | Very low | 52.7 | Low | 122 Ų | 122 | 156.5 Ų | 156.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 80.5 | 173 | -72 | 0 | 0 | 0 | 0 | 111.3 | M459 R463 | M459-C461 PolarHBondContact O-N 3.25Å; C461-R463 PolarHBondContact O-N 3.47Å | ||
| 462 | K | 50.6 | Low | 52.1 | Low | 196 Ų | 196 | 161.9 Ų | 161.9 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 126.6 | 173.3 | -78.2 | -171.7 | 175.7 | -179.7 | 0 | 110.4 | D460 | D460-K462 VanDerWaalsContact C-N 3.25Å; D460-K462 PolarHBondContact O-N 3.42Å | ||
| 463 | R | 44.3 | Very low | 51.3 | Low | 216 Ų | 216 | 162.7 Ų | 162.7 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -95.9 | 96.3 | -161.6 | -173 | -173.6 | -160.8 | 168.5 | 7.5 | 111.2 | C461 K465 | C461-R463 PolarHBondContact O-N 3.47Å; R463-K465 PolarHBondContact O-N 3.48Å | ||
| 464 | T | 49.3 | Very low | 50.6 | Low | 140 Ų | 140 | 161.6 Ų | 161.6 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -71.5 | 106.8 | 172.8 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 465 | K | 49.1 | Very low | 49.7 | Very low | 172 Ų | 172 | 163.7 Ų | 163.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -98 | 117.2 | 162.7 | -70.9 | -175.5 | 177.3 | -177.5 | 0 | 108.5 | R463 | R463-K465 PolarHBondContact O-N 3.48Š|
| 466 | L | 48 | Very low | 49.6 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 138.3 | 163 | -83.6 | 168.3 | 0 | 0 | 0 | 109.8 | ||
| 467 | S | 56.2 | Low | 49.2 | Very low | 102 Ų | 102 | 158.8 Ų | 158.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 138 | -166.4 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 468 | K | 49.2 | Very low | 49 | Very low | 215 Ų | 215 | 155.1 Ų | 155.1 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 125.7 | 151.5 | -70.1 | -176.4 | 175.9 | -177.3 | 0 | 108.7 | ||
| 469 | K | 53.6 | Low | 49.1 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -118.2 | 142.7 | 159.2 | -98.4 | -172.7 | 174.3 | -177.7 | 0 | 108.3 | ||||
| 470 | S | 42.8 | Very low | 49 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -149.5 | 168.2 | 174.1 | 59.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 471 | S | 45.8 | Very low | 48.8 | Very low | 110 Ų | 110 | 153.5 Ų | 153.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 72.4 | 149.5 | -172.6 | 90.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 472 | K | 46.4 | Very low | 49 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | -160.9 | 153.1 | 6 | -136.4 | 163.7 | -175.8 | -179.2 | 0 | 111.5 | ||||
| 473 | L | 46.9 | Very low | 48.9 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 48.8 | 118.4 | 150 | -73.4 | 159.2 | 0 | 0 | 0 | 121.2 | ||||
| 474 | N | 50.7 | Low | 49 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | -174.2 | 133.2 | 101.6 | -92.6 | -42.2 | 0 | 0 | 0 | 109.5 | |||||
| 475 | R | 45.5 | Very low | 49 | Very low | 224 Ų | 224 | 152.8 Ų | 152.8 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | 53.3 | 123.3 | 95.5 | -88.6 | -179.5 | 170.1 | 176.3 | -3.3 | 112.8 | |||||
| 476 | T | 49.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | -124.1 | -156.6 | 6.9 | 47.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 477 | D | 47.9 | Very low | 48.8 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | cis | -157.6 | 167 | 6.5 | -149.5 | 9.2 | 0 | 0 | 0 | 114.3 | ||||
| 478 | K | 53.2 | Low | 48.2 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 48 | 120.7 | 153 | -75.2 | 172.9 | -174.2 | 116.3 | 0 | 124.3 | ||||
| 479 | H | 48.8 | Very low | 48.1 | Very low | 158 Ų | 158 | 143 Ų | 143 | 73% | 0.731 | 73% | 0.733 | S | S | * | * | trans | 87.2 | 111.8 | 131.8 | -93.2 | -83.1 | 0 | 0 | 0 | 123 | ||||
| 480 | T | 51.7 | Low | 47.8 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | trans | 57.7 | 146.5 | 135.9 | 48.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 481 | D | 48.5 | Very low | 48 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | cis | -170.5 | 179.7 | -25.4 | -150 | -40.7 | 0 | 0 | 0 | 106.5 | ||||
| 482 | I | 51.7 | Low | 47.8 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | 69.5 | 148.7 | 171 | -53.4 | 165 | 0 | 0 | 0 | 114.3 | ||||
| 483 | Q | 49.1 | Very low | 47.8 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | cis | -169.9 | 155.2 | -45 | -151.7 | -177.4 | 77.5 | 0 | 0 | 106.9 | ||||
| 484 | R | 45.6 | Very low | 47.6 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 78.5 | 126.8 | 158.2 | -60.3 | -170.6 | -173 | -138.1 | -6.8 | 121.9 | ||||
| 485 | Q | 49 | Very low | 47.2 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | 72.9 | 108.1 | 132.5 | -66.1 | -77.8 | -24.4 | 0 | 0 | 120.4 | ||||
| 486 | P | 45.3 | Very low | 47 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | trans | -96.1 | 146.3 | 152 | 36.6 | -29.4 | 0 | 0 | 0 | 111.6 | ||||
| 487 | N | 47.7 | Very low | 46.8 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -173.8 | 165.5 | 154.7 | -106.1 | -39.7 | 0 | 0 | 0 | 111.9 | ||||
| 488 | T | 44.9 | Very low | 46.5 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 65.3 | 147 | 172.4 | 63.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 489 | S | 46.4 | Very low | 46 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 54% | 0.538 | 74% | 0.74 | S | S | . | * | cis | 179.5 | 165 | -39.3 | 42.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 490 | F | 46.6 | Very low | 46.1 | Very low | 186 Ų | 186 | 140 Ų | 140 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | 70.8 | 153.3 | 163.6 | -57.7 | -52 | 0 | 0 | 0 | 116.2 | ||||
| 491 | L | 46.3 | Very low | 45.8 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | cis | -146.8 | -174.7 | -2.7 | -123.1 | 163.4 | 0 | 0 | 0 | 110.7 | ||||
| 492 | T | 43.1 | Very low | 45.6 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | trans | -60.8 | 178.1 | -176.7 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 493 | T | 45.1 | Very low | 46.2 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | cis | -173.1 | 156.8 | 41 | -23.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 494 | N | 43.2 | Very low | 45.9 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 55.6 | 122 | 159.3 | -56.8 | -24.4 | 0 | 0 | 0 | 118.6 | ||||
| 495 | L | 43.4 | Very low | 46.1 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | cis | 68.2 | 100 | 34.3 | -160.1 | 91.4 | 0 | 0 | 0 | 114.9 | ||||
| 496 | W | 41 | Very low | 45.8 | Very low | 224 Ų | 224 | 138.9 Ų | 138.9 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -157.6 | 120.7 | 147.2 | -104.1 | 91.8 | 0 | 0 | 0 | 109.1 | L498 | W496-L498 HydrophobicContact CE3-CD1 4.37Å; W496-L498 HydrophobicContact CE3-CG 4.32Å; W496-L498 HydrophobicContact CZ3-CG 4.48Å | ||
| 497 | C | 43.6 | Very low | 45.8 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -103.9 | 139.7 | 167.2 | -66.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 498 | L | 41.8 | Very low | 45.6 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -131.5 | 91.2 | -179.9 | -113.8 | 165.2 | 0 | 0 | 0 | 110.8 | W496 | W496-L498 HydrophobicContact CE3-CD1 4.37Å; W496-L498 HydrophobicContact CE3-CG 4.32Å; W496-L498 HydrophobicContact CZ3-CG 4.48Å | ||
| 499 | T | 44.4 | Very low | 45.4 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 127.4 | 164.8 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 500 | T | 50.7 | Low | 45.3 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 147.2 | 171.1 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 501 | P | 45.2 | Very low | 45 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 159.5 | -163 | 34.6 | -37.2 | 0 | 0 | 0 | 114.4 | ||
| 502 | V | 44.7 | Very low | 44.8 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 126.5 | 166.9 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | Y504 | V502-Y504 PolarHBondContact O-N 3.05Š|
| 503 | P | 63.4 | Low | 44.8 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.1 | 169.6 | 30.4 | -31.6 | 0 | 0 | 0 | 110.5 | ||
| 504 | Y | 43.2 | Very low | 44.7 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 131.8 | 164.6 | -92.5 | -111.8 | 0 | 0 | 0 | 110 | V502 | V502-Y504 PolarHBondContact O-N 3.05Š|
| 505 | Y | 48.5 | Very low | 44.6 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -133.8 | 77 | 161 | -105.9 | -78.6 | 0 | 0 | 0 | 110.3 | A507 | Y505-A507 PolarHBondContact O-N 3.1Š| ||
| 506 | S | 44.6 | Very low | 44.7 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -82 | 94.8 | 168.2 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 507 | A | 43.5 | Very low | 44.7 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 138.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y505 | Y505-A507 PolarHBondContact O-N 3.1Š|
| 508 | L | 44 | Very low | 44.6 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 158.2 | -173.8 | -121.5 | 72.4 | 0 | 0 | 0 | 113.7 | ||
| 509 | I | 42 | Very low | 44.4 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 144 | -177.1 | -64.9 | 159 | 0 | 0 | 0 | 110.7 | ||
| 510 | P | 43.7 | Very low | 43.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -117.6 | 123.7 | 123.7 | -8.9 | 27.8 | 0 | 0 | 0 | 112.3 | M512 | P510-M512 PolarHBondContact O-N 2.91Š| |||
| 511 | S | 39.9 | Very low | 43.3 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -90.6 | 85.3 | -177.8 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | Y513 | S511-Y513 PolarHBondContact O-N 3.2Š| ||
| 512 | M | 42.5 | Very low | 43.1 | Very low | 168 Ų | 168 | 143 Ų | 143 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -75.9 | 79.3 | 169.8 | -67.8 | -63.9 | -71.9 | 0 | 0 | 110.1 | P510 E514 | P510-M512 PolarHBondContact O-N 2.91Å; M512-E514 PolarHBondContact O-N 3.29Å | ||
| 513 | Y | 42.1 | Very low | 42.9 | Very low | 215 Ų | 215 | 145.5 Ų | 145.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -69.1 | 106.2 | 159.7 | -109.8 | -98.4 | 0 | 0 | 0 | 107.8 | S511 | S511-Y513 PolarHBondContact O-N 3.2Š| ||
| 514 | E | 43.5 | Very low | 42.2 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -118 | 99.3 | 167.8 | -167.2 | 172.8 | -134.8 | 0 | 0 | 107.6 | M512 | M512-E514 PolarHBondContact O-N 3.29Š| ||
| 515 | E | 40.9 | Very low | 42.4 | Very low | 134 Ų | 134 | 143 Ų | 143 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | -65.1 | 136.5 | 178.5 | -74 | -166.4 | 155.6 | 0 | 0 | 111.3 | T517 | E515-T517 VanDerWaalsContact CB-OG1 3.24Å; E515-T517 WeakPolarHBondContact CB-OG1 3.49Å; E515-T517 PolarHBondContact O-N 3.01Å; E515-T517 PolarHBondContact OE2-OG1 3.33Å | ||
| 516 | P | 46.4 | Very low | 42.6 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -76.3 | 79.2 | 152.2 | 33.2 | -30.8 | 0 | 0 | 0 | 108.5 | V518 | P516-V518 PolarHBondContact O-N 3.2Š| ||
| 517 | T | 40.1 | Very low | 43.3 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 60% | 0.595 | 76% | 0.762 | S | S | * | * | trans | -70.7 | 44.5 | 177.8 | -37.1 | 0 | 0 | 0 | 0 | 112.3 | E515 | E515-T517 VanDerWaalsContact CB-OG1 3.24Å; E515-T517 WeakPolarHBondContact CB-OG1 3.49Å; E515-T517 PolarHBondContact O-N 3.01Å; E515-T517 PolarHBondContact OE2-OG1 3.33Å | ||
| 518 | V | 41.7 | Very low | 43.5 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -146.6 | 82.6 | -178.5 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | P516 | P516-V518 PolarHBondContact O-N 3.2Š| ||
| 519 | I | 37.1 | Very low | 43.8 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | -177.5 | 37.5 | 143.9 | -89.8 | 149.9 | 0 | 0 | 0 | 109.8 | N521 | I519-N521 VanDerWaalsContact C-N 3.33Å; I519-N521 PolarHBondContact O-N 2.9Å | ||
| 520 | S | 34.8 | Very low | 44.1 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 55.4 | 173.6 | 42.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 521 | N | 38.4 | Very low | 44 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.2 | 7.1 | -179.9 | -103 | -43 | 0 | 0 | 0 | 115.9 | I519 | I519-N521 VanDerWaalsContact C-N 3.33Å; I519-N521 PolarHBondContact O-N 2.9Å |
| 522 | M | 40.8 | Very low | 44.4 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -94 | 115 | 158.9 | -83.6 | -173.4 | 162.6 | 0 | 0 | 107.9 | I524 | M522-I524 PolarHBondContact O-N 3.32Š|
| 523 | L | 39.9 | Very low | 44.7 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -64.2 | 104.1 | 170.5 | -73.8 | 106.5 | 0 | 0 | 0 | 108.8 | ||||
| 524 | I | 49.2 | Very low | 44.9 | Very low | 157 Ų | 157 | 145 Ų | 145 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -78 | 114.9 | 155 | -61.1 | 177.2 | 0 | 0 | 0 | 105.2 | M522 S526 | M522-I524 PolarHBondContact O-N 3.32Å; I524-S526 PolarHBondContact O-N 3.16Å; I524-S526 VanDerWaalsContact O-N 3.15Å | ||
| 525 | D | 47 | Very low | 45.2 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 56% | 0.561 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 111.7 | 173.3 | -176.8 | -5.5 | 0 | 0 | 0 | 109.2 | G527 Y528 | D525-G527 PolarHBondContact O-N 3.04Å; D525-G527 PolarHBondContact OD1-N 2.99Å; D525-Y528 PolarHBondContact O-N 3.18Å | ||
| 526 | S | 53.2 | Low | 45.6 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -1.6 | -179.4 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | I524 | I524-S526 PolarHBondContact O-N 3.16Å; I524-S526 VanDerWaalsContact O-N 3.15Å |
| 527 | G | 59.2 | Low | 45.5 | Very low | 58 Ų | 58 | 158.4 Ų | 158.4 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -9.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D525 S529 | D525-G527 PolarHBondContact O-N 3.04Å; D525-G527 PolarHBondContact OD1-N 2.99Å; G527-S529 PolarHBondContact O-N 3.49Å |
| 528 | Y | 47 | Very low | 45.8 | Very low | 176 Ų | 176 | 161.6 Ų | 161.6 | 69% | 0.69 | 82% | 0.822 | S | S | * | * | trans | -83.8 | 94.7 | -173.7 | -109.3 | -91.5 | 0 | 0 | 0 | 113.9 | D525 Y530 | D525-Y528 PolarHBondContact O-N 3.18Å; Y528-Y530 HydrophobicContact CD1-CD2 4.06Å; Y528-Y530 HydrophobicContact CE1-CD2 4.39Å; Y528-Y530 PolarHBondContact O-N 3.21Å; Y528-Y530 VanDerWaalsContact O-N 3.17Å | ||
| 529 | S | 50.6 | Low | 46 | Very low | 118 Ų | 118 | 164 Ų | 164 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -67 | 105.6 | 167.6 | -61.7 | 0 | 0 | 0 | 0 | 111 | G527 | G527-S529 PolarHBondContact O-N 3.49Š| ||
| 530 | Y | 47.4 | Very low | 46.6 | Very low | 194 Ų | 194 | 164.3 Ų | 164.3 | 76% | 0.761 | 83% | 0.828 | S | S | * | * | trans | -146.1 | 38.5 | 179.9 | -125.2 | -77.6 | 0 | 0 | 0 | 114.7 | Y528 | Y528-Y530 HydrophobicContact CD1-CD2 4.06Å; Y528-Y530 HydrophobicContact CE1-CD2 4.39Å; Y528-Y530 PolarHBondContact O-N 3.21Å; Y528-Y530 VanDerWaalsContact O-N 3.17Å | ||
| 531 | F | 43.4 | Very low | 47.3 | Very low | 203 Ų | 203 | 168.4 Ų | 168.4 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -142.1 | 96.4 | 168.4 | -75.3 | -76.2 | 0 | 0 | 0 | 109.8 | ||||
| 532 | D | 48.2 | Very low | 47.9 | Very low | 172 Ų | 172 | 169.1 Ų | 169.1 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -164.1 | -13.9 | 166.7 | -107.4 | -28 | 0 | 0 | 0 | 114 | ||
| 533 | E | 47.1 | Very low | 48.4 | Very low | 183 Ų | 183 | 168.9 Ų | 168.9 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -114.7 | 160.2 | 175.5 | -64.7 | -171.9 | 161.2 | 0 | 0 | 112.6 | ||
| 534 | V | 47.7 | Very low | 49.1 | Very low | 139 Ų | 139 | 168.4 Ų | 168.4 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | 75.2 | 57.7 | -172.6 | -160.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 535 | Y | 48.6 | Very low | 49 | Very low | 231 Ų | 231 | 169.3 Ų | 169.3 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -144.2 | 65.8 | 153.8 | -106.6 | -70.9 | 0 | 0 | 0 | 111.6 | ||||
| 536 | W | 49.1 | Very low | 49.2 | Very low | 326 Ų | 326 | 175.2 Ų | 175.2 | 100% | 1.235 | 86% | 0.856 | S | S | * | * | trans | -146.1 | 0 | 163 | -90.1 | 89.6 | 0 | 0 | 0 | 108.8 |
Retrieved 536 of 536 residues in 59.2 ms
(Link to these results)