| 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 | 37.8 | Very low | 48.1 | Very low | 236 Ų | 236 | 157.9 Ų | 157.9 | 100% | 1.163 | 84% | 0.839 | S | S | * | * | 0 | 154.1 | 0 | -143.5 | 63.9 | 87.6 | 0 | 0 | 108.2 | |||||
| 2 | N | 46.9 | Very low | 48.1 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -90.2 | 161.3 | -166.2 | -58.3 | -14.9 | 0 | 0 | 0 | 113.2 | ||||
| 3 | G | 42.9 | Very low | 48.5 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 158.5 | 60.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | Y | 53.4 | Low | 49.2 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | 49.6 | 109.2 | 88.9 | -99.9 | -85.5 | 0 | 0 | 0 | 114 | |||||
| 5 | G | 40.4 | Very low | 49.7 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 161.2 | 51.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P7 | G5-P7 WeakPolarHBondContact O-CD 3.42Š| ||
| 6 | S | 49.5 | Very low | 50.3 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -78.1 | 119.6 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | P | 55 | Low | 50.9 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -93 | 125.8 | 177.4 | 34.1 | -28.2 | 0 | 0 | 0 | 111.2 | G5 | G5-P7 WeakPolarHBondContact O-CD 3.42Š| ||
| 8 | Y | 48.2 | Very low | 51.2 | Low | 202 Ų | 202 | 139.7 Ų | 139.7 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | 51.6 | 95.2 | 160.5 | -80.5 | -95.2 | 0 | 0 | 0 | 118.2 | Y10 | Y8-Y10 PolarHBondContact O-N 3.2Š| ||
| 9 | L | 50.2 | Low | 51.7 | Low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -64.6 | 76.7 | 135.8 | -72.1 | 175.6 | 0 | 0 | 0 | 109.1 | M11 | L9-M11 PolarHBondContact O-N 3.42Š| ||
| 10 | Y | 48 | Very low | 52.3 | Low | 189 Ų | 189 | 141.2 Ų | 141.2 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -68.3 | 98.8 | 165.7 | -175.2 | -94.3 | 0 | 0 | 0 | 107.7 | Y8 G12 | Y8-Y10 PolarHBondContact O-N 3.2Å; Y10-G12 PolarHBondContact O-N 3.43Å | ||
| 11 | M | 56.9 | Low | 53 | Low | 172 Ų | 172 | 140.3 Ų | 140.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -58.8 | 98.7 | 173.2 | -81.2 | -103.9 | -75.5 | 0 | 0 | 108.9 | L9 A13 | L9-M11 PolarHBondContact O-N 3.42Å; M11-A13 PolarHBondContact O-N 2.87Å | ||
| 12 | G | 47.8 | Very low | 54.7 | Low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -67.1 | 77.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y10 | Y10-G12 PolarHBondContact O-N 3.43Š| ||
| 13 | A | 53.9 | Low | 56.1 | Low | 75 Ų | 75 | 137.9 Ų | 137.9 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -53.5 | 130.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | M11 V15 | M11-A13 PolarHBondContact O-N 2.87Å; A13-V15 PolarHBondContact O-N 3.38Å | ||
| 14 | P | 58.5 | Low | 58.1 | Low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -64.7 | 102.7 | -179 | 26 | -33.4 | 0 | 0 | 0 | 108.5 | S16 | P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.32Å | ||
| 15 | V | 55.7 | Low | 59.7 | Low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | -61.1 | 96.1 | 173.6 | -86.8 | 0 | 0 | 0 | 0 | 108.2 | A13 Q17 | A13-V15 PolarHBondContact O-N 3.38Å; V15-Q17 PolarHBondContact O-N 3.48Å | ||
| 16 | S | 60.3 | Low | 62.2 | Low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -72.3 | 65.6 | 175 | 60.9 | 0 | 0 | 0 | 0 | 109.2 | P14 P18 | P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.32Å; S16-P18 WeakPolarHBondContact O-CD 3.45Å | ||
| 17 | Q | 60.7 | Low | 64.4 | Low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -52.7 | 121.6 | 173.3 | -70.8 | -174.1 | -9.1 | 0 | 0 | 108 | V15 R19 | V15-Q17 PolarHBondContact O-N 3.48Å; Q17-R19 VanDerWaalsContact C-N 3.26Å; Q17-R19 PolarHBondContact O-N 3.2Å | ||
| 18 | P | 56.3 | Low | 66.4 | Low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -70 | 90 | 174 | 28.6 | -32.6 | 0 | 0 | 0 | 107.8 | S16 A20 | S16-P18 WeakPolarHBondContact O-CD 3.45Å; P18-A20 PolarHBondContact O-N 3.43Å | ||
| 19 | R | 60.3 | Low | 68.7 | Low | 232 Ų | 232 | 125.7 Ų | 125.7 | 88% | 0.875 | 69% | 0.686 | S | S | * | * | trans | -47.8 | 119.3 | 173 | -95 | -175.8 | 169.8 | 148.7 | -2.2 | 108.1 | Q17 | Q17-R19 VanDerWaalsContact C-N 3.26Å; Q17-R19 PolarHBondContact O-N 3.2Å | ||
| 20 | A | 63.8 | Low | 70.9 | Confident | 77 Ų | 77 | 119.8 Ų | 119.8 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | -49.3 | 128.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P18 L22 | P18-A20 PolarHBondContact O-N 3.43Å; A20-L22 PolarHBondContact O-N 3.3Å | ||
| 21 | P | 65.9 | Low | 73.2 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | trans | -58 | 105.2 | -175.7 | -27.8 | 35.8 | 0 | 0 | 0 | 111.4 | Q23 | P21-Q23 PolarHBondContact O-N 3.33Š| ||
| 22 | L | 73.9 | Confident | 75.1 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 82% | 0.822 | 61% | 0.605 | S | S | * | * | trans | -61.7 | 104 | 179.9 | -67.4 | 176.3 | 0 | 0 | 0 | 108.9 | A20 R24 | A20-L22 PolarHBondContact O-N 3.3Å; L22-R24 PolarHBondContact O-N 2.96Å | ||
| 23 | Q | 75.9 | Confident | 77.5 | Confident | 184 Ų | 184 | 108.4 Ų | 108.4 | 86% | 0.86 | 58% | 0.581 | S | S | * | * | trans | -56.5 | 95.4 | -178.3 | -74.4 | -83.2 | -1.1 | 0 | 0 | 110.1 | P21 T25 | P21-Q23 PolarHBondContact O-N 3.33Å; Q23-T25 PolarHBondContact O-N 3.07Å; Q23-T25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | R | 85.4 | Confident | 79.6 | Confident | 235 Ų | 235 | 107.8 Ų | 107.8 | 89% | 0.887 | 57% | 0.565 | S | S | * | * | trans | -69.6 | 109.2 | -177 | -72.1 | -173.4 | 174.7 | -175.6 | -1.7 | 110.1 | L22 | L22-R24 PolarHBondContact O-N 2.96Š| ||
| 25 | T | 86.6 | Confident | 81.4 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 57% | 0.571 | 56% | 0.561 | S | S | * | * | trans | -55.2 | 122.1 | 179.5 | -30.7 | 0 | 0 | 0 | 0 | 110.8 | Q23 W39 | Q23-T25 PolarHBondContact O-N 3.07Å; Q23-T25 VanDerWaalsContact O-N 3.11Å; T25-W39 HydrophobicContact CG2-CE3 4.11Å; T25-W39 HydrophobicContact CG2-CZ3 4.38Å | ||
| 26 | P | 93.7 | Very high | 83.3 | Confident | 79 Ų | 79 | 102.1 Ų | 102.1 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | trans | -68.1 | 141.5 | -172.8 | 25 | -33.7 | 0 | 0 | 0 | 112 | L40 | P26-L40 HydrophobicContact CB-CB 4.11Å; P26-L40 HydrophobicContact CB-CD2 4.06Å; P26-L40 HydrophobicContact CG-CB 4.25Å; P26-L40 HydrophobicContact CG-CD2 4.43Å; P26-L40 WeakPolarHBondContact O-CB 3.48Å; P26-L40 PolarHBondContact O-N 3.18Å | ||
| 27 | K | 95.6 | Very high | 85 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 152.5 | 178 | -62.3 | -173.6 | -179.1 | -175.2 | 0 | 111 | A29 L37 S38 W39 | K27-A29 PolarHBondContact O-N 3.35Å; K27-L37 HydrophobicContact CD-CD2 4.47Å; K27-S38 CarbonylContact C-O 3.58Å; K27-S38 WeakPolarHBondContact CA-O 3.4Å; K27-S38 WeakPolarHBondContact CB-O 3.22Å; K27-W39 HydrophobicContact CD-CZ3 4.35Å; K27-W39 VanDerWaalsContact CE-CZ3 3.44Å; K27-W39 HydrophobicContact CG-CE3 3.88Å; K27-W39 HydrophobicContact CG-CZ3 4Å |
| 28 | C | 96.4 | Very high | 86.7 | Confident | 10 Ų | 10 | 96.6 Ų | 96.6 | 7% | 0.068 | 51% | 0.51 | C | S | . | . | trans | -67.5 | 113.8 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | R30 C31 R32 S38 H43 | C28-R30 PolarHBondContact O-N 3.49Å; C28-C31 HydrophobicContact CB-CB 4.1Å; C28-C31 PolarHBondContact O-N 3.44Å; C28-R32 PolarHBondContact O-N 3.08Å; C28-R32 VanDerWaalsContact O-N 3.15Å; C28-S38 PolarHBondContact N-O 3.22Å; C28-H43 VanDerWaalsContact SG-CD2 3.55Å | ||
| 29 | A | 96.3 | Very high | 88.5 | Confident | 36 Ų | 36 | 97.6 Ų | 97.6 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -34.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K27 R32 N33 I60 | K27-A29 PolarHBondContact O-N 3.35Å; A29-R32 PolarHBondContact O-N 3.24Å; A29-N33 PolarHBondContact O-N 3.24Å; A29-N33 PolarHBondContact O-OD1 2.93Å; A29-I60 HydrophobicContact CB-CD1 3.72Å; A29-I60 HydrophobicContact CB-CG2 4.45Å; A29-I60 WeakPolarHBondContact O-CD1 3.25Å |
| 30 | R | 97 | Very high | 90.1 | Very high | 48 Ų | 48 | 90.5 Ų | 90.5 | 18% | 0.181 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.9 | -55.7 | 173.2 | -77.6 | 176.2 | 168.1 | -84.3 | 2.8 | 111.1 | C28 R32 N33 H34 F49 K50 C52 I61 | C28-R30 PolarHBondContact O-N 3.49Å; R30-R32 VanDerWaalsContact C-N 3.29Å; R30-R32 PolarHBondContact O-N 3.07Å; R30-N33 WeakPolarHBondContact O-CB 3.46Å; R30-N33 PolarHBondContact O-N 2.68Å; R30-N33 VanDerWaalsContact O-N 3.1Å; R30-H34 PolarHBondContact O-CD2 3.07Å; R30-F49 HydrophobicContact CB-CB 4.4Å; R30-F49 WeakPolarHBondContact CD-O 3.4Å; R30-F49 PolarHBondContact NH1-O 2.91Å; R30-K50 PolarHBondContact NE-O 3.49Å; R30-K50 PolarHBondContact NH1-O 3.44Å; R30-K50 VanDerWaalsContact NH1-O 3.08Å; R30-K50 PolarHBondContact NH2-O 3.47Å; R30-C52 PolarHBondContact NH1-O 2.8Å; R30-I61 VanDerWaalsContact NH2-CD1 3.3Å |
| 31 | C | 97.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 96.3 Ų | 96.3 | 1% | 0.014 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 179.3 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | C28 N33 H34 G35 V36 H43 F49 | C28-C31 HydrophobicContact CB-CB 4.1Å; C28-C31 PolarHBondContact O-N 3.44Å; C31-N33 VanDerWaalsContact C-N 3.25Å; C31-N33 PolarHBondContact O-N 3.45Å; C31-H34 CarbonylContact O-C 2.94Å; C31-H34 WeakPolarHBondContact O-CA 3.21Å; C31-H34 PolarHBondContact O-N 2.98Å; C31-G35 PolarHBondContact O-N 2.95Å; C31-V36 CarbonylContact C-O 3.44Å; C31-V36 HydrophobicContact CB-CB 4.16Å; C31-V36 HydrophobicContact CB-CG1 4.41Å; C31-V36 WeakPolarHBondContact CB-O 3.48Å; C31-V36 PolarHBondContact O-N 3.12Å; C31-V36 VanDerWaalsContact O-N 3.07Å; C31-V36 VanDerWaalsContact O-O 3.07Å; C31-H43 PolarHBondContact SG-NE2 3.12Å; C31-F49 HydrophobicContact CB-CD2 4.28Å |
| 32 | R | 96.8 | Very high | 92.9 | Very high | 159 Ų | 159 | 93.2 Ų | 93.2 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.2 | -35.3 | 178 | -170 | -172.2 | 67.2 | 126.3 | 5 | 112.9 | C28 A29 R30 H34 G35 V36 L37 | C28-R32 PolarHBondContact O-N 3.08Å; C28-R32 VanDerWaalsContact O-N 3.15Å; A29-R32 PolarHBondContact O-N 3.24Å; R30-R32 VanDerWaalsContact C-N 3.29Å; R30-R32 PolarHBondContact O-N 3.07Å; R32-H34 PolarHBondContact O-N 2.99Å; R32-G35 PolarHBondContact O-N 3.14Å; R32-V36 PolarHBondContact N-O 2.81Å; R32-L37 HydrophobicContact CG-CD2 4.43Å |
| 33 | N | 96.8 | Very high | 93.9 | Very high | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.134 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66 | -22.9 | 177.1 | -71 | -6.8 | 0 | 0 | 0 | 113.9 | A29 R30 C31 K56 C57 I60 | A29-N33 PolarHBondContact O-N 3.24Å; A29-N33 PolarHBondContact O-OD1 2.93Å; R30-N33 WeakPolarHBondContact O-CB 3.46Å; R30-N33 PolarHBondContact O-N 2.68Å; R30-N33 VanDerWaalsContact O-N 3.1Å; C31-N33 VanDerWaalsContact C-N 3.25Å; C31-N33 PolarHBondContact O-N 3.45Å; N33-K56 HydrophobicContact CB-CB 4.13Å; N33-K56 PolarHBondContact ND2-O 2.89Å; N33-K56 PolarHBondContact O-NZ 3.03Å; N33-C57 PolarHBondContact ND2-SG 3.25Å; N33-I60 WeakPolarHBondContact ND2-CD1 3.35Å |
| 34 | H | 97.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 86.8 Ų | 86.8 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 19.6 | 178.5 | -61 | -84.8 | 0 | 0 | 0 | 112.1 | R30 C31 R32 V36 F49 C52 C54 C57 | R30-H34 PolarHBondContact O-CD2 3.07Å; C31-H34 CarbonylContact O-C 2.94Å; C31-H34 WeakPolarHBondContact O-CA 3.21Å; C31-H34 PolarHBondContact O-N 2.98Å; R32-H34 PolarHBondContact O-N 2.99Å; H34-V36 PolarHBondContact O-N 2.82Å; H34-F49 HydrophobicContact CB-CD1 4.1Å; H34-F49 HydrophobicContact CB-CD2 4.2Å; H34-F49 HydrophobicContact CB-CE1 3.66Å; H34-F49 HydrophobicContact CB-CE2 3.78Å; H34-F49 HydrophobicContact CB-CG 4.34Å; H34-F49 HydrophobicContact CB-CZ 3.48Å; H34-F49 VanDerWaalsContact CB-CZ 3.48Å; H34-F49 AromaticContact CD2-CD1 3.42Å; H34-F49 VanDerWaalsContact CD2-CD1 3.42Å; H34-F49 WeakPolarHBondContact CD2-CD1 3.28Å; H34-F49 AromaticContact CD2-CD2 3.97Å; H34-F49 AromaticContact CD2-CE1 3.91Å; H34-F49 AromaticContact CD2-CG 3.45Å; H34-F49 VanDerWaalsContact CD2-CG 3.45Å; H34-F49 WeakPolarHBondContact CD2-CG 3.38Å; H34-F49 AromaticContact CE1-CD1 3.95Å; H34-F49 AromaticContact CG-CD1 3.57Å; H34-F49 AromaticContact CG-CE1 3.56Å; H34-F49 AromaticContact CG-CG 3.94Å; H34-F49 AromaticContact CG-CZ 3.91Å; H34-F49 AromaticContact ND1-CD1 3.9Å; H34-F49 AromaticContact ND1-CE1 3.85Å; H34-F49 AromaticContact NE2-CD1 3.71Å; H34-F49 AromaticContact NE2-CG 3.97Å; H34-C52 PolarHBondContact CE1-SG 2.75Å; H34-C52 PolarHBondContact NE2-SG 2.77Å; H34-C52 VanDerWaalsContact NE2-SG 3.44Å; H34-C54 VanDerWaalsContact CE1-SG 3.57Å; H34-C57 PolarHBondContact NE2-SG 3.44Å; H34-C57 VanDerWaalsContact NE2-SG 3.44Å |
| 35 | G | 96.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 84.5 Ų | 84.5 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -7.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C31 R32 | C31-G35 PolarHBondContact O-N 2.95Å; R32-G35 PolarHBondContact O-N 3.14Å |
| 36 | V | 96.5 | Very high | 95.7 | Very high | 57 Ų | 57 | 87.8 Ų | 87.8 | 35% | 0.345 | 44% | 0.436 | S | S | . | . | trans | -89.1 | 123.6 | -178 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | C31 R32 H34 F49 | C31-V36 CarbonylContact C-O 3.44Å; C31-V36 HydrophobicContact CB-CB 4.16Å; C31-V36 HydrophobicContact CB-CG1 4.41Å; C31-V36 WeakPolarHBondContact CB-O 3.48Å; C31-V36 PolarHBondContact O-N 3.12Å; C31-V36 VanDerWaalsContact O-N 3.07Å; C31-V36 VanDerWaalsContact O-O 3.07Å; R32-V36 PolarHBondContact N-O 2.81Å; H34-V36 PolarHBondContact O-N 2.82Å; V36-F49 HydrophobicContact CB-CE2 4.19Å; V36-F49 HydrophobicContact CG2-CE2 3.94Å; V36-F49 HydrophobicContact CG2-CZ 4.21Å | ||
| 37 | L | 95.6 | Very high | 95.8 | Very high | 119 Ų | 119 | 84.6 Ų | 84.6 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | trans | -88.5 | 126.1 | 171.2 | -64.4 | -178.7 | 0 | 0 | 0 | 110.5 | K27 R32 | K27-L37 HydrophobicContact CD-CD2 4.47Å; R32-L37 HydrophobicContact CG-CD2 4.43Å | ||
| 38 | S | 95.5 | Very high | 95.9 | Very high | 33 Ų | 33 | 89.6 Ų | 89.6 | 23% | 0.231 | 43% | 0.431 | C | S | . | . | trans | -143.7 | 147.2 | 172 | -166 | 0 | 0 | 0 | 0 | 110 | K27 C28 H43 | K27-S38 CarbonylContact C-O 3.58Å; K27-S38 WeakPolarHBondContact CA-O 3.4Å; K27-S38 WeakPolarHBondContact CB-O 3.22Å; C28-S38 PolarHBondContact N-O 3.22Å; S38-H43 PolarHBondContact OG-CE1 3.42Å; S38-H43 PolarHBondContact OG-ND1 3.44Å | ||
| 39 | W | 94.9 | Very high | 95.9 | Very high | 147 Ų | 147 | 90.9 Ų | 90.9 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -74.5 | 146.7 | 176.6 | -56 | 109 | 0 | 0 | 0 | 110.4 | T25 K27 H43 | T25-W39 HydrophobicContact CG2-CE3 4.11Å; T25-W39 HydrophobicContact CG2-CZ3 4.38Å; K27-W39 HydrophobicContact CD-CZ3 4.35Å; K27-W39 VanDerWaalsContact CE-CZ3 3.44Å; K27-W39 HydrophobicContact CG-CE3 3.88Å; K27-W39 HydrophobicContact CG-CZ3 4Å; W39-H43 WeakPolarHBondContact O-CB 3.43Å |
| 40 | L | 94.6 | Very high | 95.9 | Very high | 83 Ų | 83 | 93.8 Ų | 93.8 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -77.4 | -27.3 | -175.1 | -173.5 | 60.8 | 0 | 0 | 0 | 113.2 | P26 G42 H43 | P26-L40 HydrophobicContact CB-CB 4.11Å; P26-L40 HydrophobicContact CB-CD2 4.06Å; P26-L40 HydrophobicContact CG-CB 4.25Å; P26-L40 HydrophobicContact CG-CD2 4.43Å; P26-L40 WeakPolarHBondContact O-CB 3.48Å; P26-L40 PolarHBondContact O-N 3.18Å; L40-G42 PolarHBondContact O-N 3Å; L40-H43 PolarHBondContact O-N 3.44Å |
| 41 | K | 93.7 | Very high | 95.9 | Very high | 198 Ų | 198 | 97 Ų | 97 | 86% | 0.861 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 126.3 | 178.7 | -169 | 177.5 | -179.2 | -177.3 | 0 | 109.8 | H43 | K41-H43 PolarHBondContact O-N 3.45Š|
| 42 | G | 93.7 | Very high | 95.9 | Very high | 58 Ų | 58 | 98.4 Ų | 98.4 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -30.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116 | L40 K44 | L40-G42 PolarHBondContact O-N 3Å; G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.18Å; G42-K44 VanDerWaalsContact O-N 3.15Å |
| 43 | H | 96.1 | Very high | 96 | Very high | 28 Ų | 28 | 96.4 Ų | 96.4 | 13% | 0.13 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.1 | -167.5 | -177 | 76 | 0 | 0 | 0 | 116.3 | C28 C31 S38 W39 L40 K41 R45 Y46 C47 | C28-H43 VanDerWaalsContact SG-CD2 3.55Å; C31-H43 PolarHBondContact SG-NE2 3.12Å; S38-H43 PolarHBondContact OG-CE1 3.42Å; S38-H43 PolarHBondContact OG-ND1 3.44Å; W39-H43 WeakPolarHBondContact O-CB 3.43Å; L40-H43 PolarHBondContact O-N 3.44Å; K41-H43 PolarHBondContact O-N 3.45Å; H43-R45 PolarHBondContact O-N 3.49Å; H43-R45 VanDerWaalsContact O-N 3.11Å; H43-Y46 CarbonylContact O-C 3.52Å; H43-Y46 PolarHBondContact O-N 3.29Å; H43-Y46 VanDerWaalsContact O-N 3.14Å; H43-C47 WeakPolarHBondContact NE2-CB 3.36Å; H43-C47 PolarHBondContact NE2-SG 3.49Å; H43-C47 VanDerWaalsContact NE2-SG 3.38Å; H43-C47 WeakPolarHBondContact O-CB 3.47Å; H43-C47 PolarHBondContact O-N 3.1Å; H43-C47 VanDerWaalsContact O-N 3.13Å |
| 44 | K | 94.2 | Very high | 96 | Very high | 178 Ų | 178 | 97.1 Ų | 97.1 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -35.4 | -175 | -175.5 | 176.1 | -175.6 | -74.2 | 0 | 114.1 | G42 | G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.18Å; G42-K44 VanDerWaalsContact O-N 3.15Å |
| 45 | R | 94.9 | Very high | 96.1 | Very high | 187 Ų | 187 | 101.2 Ų | 101.2 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -41.1 | 178.1 | -62.7 | -169.5 | -59.9 | -115.1 | 2.9 | 112.4 | H43 C47 | H43-R45 PolarHBondContact O-N 3.49Å; H43-R45 VanDerWaalsContact O-N 3.11Å; R45-C47 VanDerWaalsContact C-N 3.28Å; R45-C47 PolarHBondContact O-N 3.34Å |
| 46 | Y | 95.9 | Very high | 96.1 | Very high | 163 Ų | 163 | 103.6 Ų | 103.6 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -92.2 | 23.8 | -173.9 | -43.8 | -77.7 | 0 | 0 | 0 | 113 | H43 R48 | H43-Y46 CarbonylContact O-C 3.52Å; H43-Y46 PolarHBondContact O-N 3.29Å; H43-Y46 VanDerWaalsContact O-N 3.14Å; Y46-R48 PolarHBondContact O-N 2.94Å |
| 47 | C | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 100.9 Ų | 100.9 | 8% | 0.081 | 48% | 0.478 | C | S | . | . | trans | -82.4 | 110.5 | -178 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | H43 R45 F49 K50 | H43-C47 WeakPolarHBondContact NE2-CB 3.36Å; H43-C47 PolarHBondContact NE2-SG 3.49Å; H43-C47 VanDerWaalsContact NE2-SG 3.38Å; H43-C47 WeakPolarHBondContact O-CB 3.47Å; H43-C47 PolarHBondContact O-N 3.1Å; H43-C47 VanDerWaalsContact O-N 3.13Å; R45-C47 VanDerWaalsContact C-N 3.28Å; R45-C47 PolarHBondContact O-N 3.34Å; C47-F49 PolarHBondContact O-N 3.19Å; C47-K50 HydrophobicContact CB-CB 4.11Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 3.15Å | ||
| 48 | R | 96.9 | Very high | 96.3 | Very high | 208 Ų | 208 | 99.5 Ų | 99.5 | 79% | 0.785 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.1 | 177.7 | -167.7 | 163 | 71.1 | -179.2 | 3.7 | 114.2 | Y46 | Y46-R48 PolarHBondContact O-N 2.94Š|
| 49 | F | 97.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 103 Ų | 103 | 16% | 0.162 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 19.1 | 175.9 | -49.3 | -77.2 | 0 | 0 | 0 | 112.9 | R30 C31 H34 V36 C47 D51 C52 | R30-F49 HydrophobicContact CB-CB 4.4Å; R30-F49 WeakPolarHBondContact CD-O 3.4Å; R30-F49 PolarHBondContact NH1-O 2.91Å; C31-F49 HydrophobicContact CB-CD2 4.28Å; H34-F49 HydrophobicContact CB-CD1 4.1Å; H34-F49 HydrophobicContact CB-CD2 4.2Å; H34-F49 HydrophobicContact CB-CE1 3.66Å; H34-F49 HydrophobicContact CB-CE2 3.78Å; H34-F49 HydrophobicContact CB-CG 4.34Å; H34-F49 HydrophobicContact CB-CZ 3.48Å; H34-F49 VanDerWaalsContact CB-CZ 3.48Å; H34-F49 AromaticContact CD2-CD1 3.42Å; H34-F49 VanDerWaalsContact CD2-CD1 3.42Å; H34-F49 WeakPolarHBondContact CD2-CD1 3.28Å; H34-F49 AromaticContact CD2-CD2 3.97Å; H34-F49 AromaticContact CD2-CE1 3.91Å; H34-F49 AromaticContact CD2-CG 3.45Å; H34-F49 VanDerWaalsContact CD2-CG 3.45Å; H34-F49 WeakPolarHBondContact CD2-CG 3.38Å; H34-F49 AromaticContact CE1-CD1 3.95Å; H34-F49 AromaticContact CG-CD1 3.57Å; H34-F49 AromaticContact CG-CE1 3.56Å; H34-F49 AromaticContact CG-CG 3.94Å; H34-F49 AromaticContact CG-CZ 3.91Å; H34-F49 AromaticContact ND1-CD1 3.9Å; H34-F49 AromaticContact ND1-CE1 3.85Å; H34-F49 AromaticContact NE2-CD1 3.71Å; H34-F49 AromaticContact NE2-CG 3.97Å; V36-F49 HydrophobicContact CB-CE2 4.19Å; V36-F49 HydrophobicContact CG2-CE2 3.94Å; V36-F49 HydrophobicContact CG2-CZ 4.21Å; C47-F49 PolarHBondContact O-N 3.19Å; F49-D51 PolarHBondContact O-N 3.08Å; F49-C52 HydrophobicContact CB-CB 4.09Å; F49-C52 WeakPolarHBondContact O-CB 3.11Å; F49-C52 PolarHBondContact O-N 2.84Å |
| 50 | K | 96.1 | Very high | 96.5 | Very high | 97 Ų | 97 | 97 Ų | 97 | 42% | 0.422 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -44.8 | -180 | 175.2 | -173.8 | 156.5 | -71.7 | 0 | 112.2 | R30 C47 | R30-K50 PolarHBondContact NE-O 3.49Å; R30-K50 PolarHBondContact NH1-O 3.44Å; R30-K50 VanDerWaalsContact NH1-O 3.08Å; R30-K50 PolarHBondContact NH2-O 3.47Å; C47-K50 HydrophobicContact CB-CB 4.11Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 3.15Å |
| 51 | D | 96.5 | Very high | 96.6 | Very high | 114 Ų | 114 | 96.5 Ų | 96.5 | 61% | 0.61 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 17 | -173.3 | -53.9 | -61.7 | 0 | 0 | 0 | 112.3 | F49 T53 | F49-D51 PolarHBondContact O-N 3.08Å; D51-T53 PolarHBondContact O-N 2.86Å |
| 52 | C | 97.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 91.2 Ų | 91.2 | 22% | 0.223 | 44% | 0.44 | C | S | . | . | trans | -68.8 | 132.8 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | R30 H34 F49 | R30-C52 PolarHBondContact NH1-O 2.8Å; H34-C52 PolarHBondContact CE1-SG 2.75Å; H34-C52 PolarHBondContact NE2-SG 2.77Å; H34-C52 VanDerWaalsContact NE2-SG 3.44Å; F49-C52 HydrophobicContact CB-CB 4.09Å; F49-C52 WeakPolarHBondContact O-CB 3.11Å; F49-C52 PolarHBondContact O-N 2.84Å | ||
| 53 | T | 97.8 | Very high | 97 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 71% | 0.712 | 44% | 0.442 | S | S | * | . | trans | -105.5 | 11.2 | -176 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | D51 I58 | D51-T53 PolarHBondContact O-N 2.86Å; T53-I58 WeakPolarHBondContact O-CD1 3.22Å | ||
| 54 | C | 98.2 | Very high | 97 | Very high | 41 Ų | 41 | 100.8 Ų | 100.8 | 28% | 0.277 | 46% | 0.461 | S | S | . | . | trans | -64.2 | 150.6 | 175.7 | 76.6 | 0 | 0 | 0 | 0 | 111.3 | H34 K56 C57 I58 | H34-C54 VanDerWaalsContact CE1-SG 3.57Å; C54-K56 VanDerWaalsContact C-N 3.33Å; C54-K56 PolarHBondContact O-N 2.98Å; C54-C57 CarbonylContact O-C 3.53Å; C54-C57 WeakPolarHBondContact O-CA 3.44Å; C54-C57 WeakPolarHBondContact O-CB 3.42Å; C54-C57 PolarHBondContact O-N 3.46Å; C54-I58 PolarHBondContact O-N 2.98Å | ||
| 55 | E | 98 | Very high | 97.2 | Very high | 148 Ų | 148 | 100.7 Ų | 100.7 | 69% | 0.692 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -46.6 | -50.5 | -176.8 | -177.5 | -173.6 | -157.2 | 0 | 0 | 113.3 | C57 I58 L59 | E55-C57 PolarHBondContact O-N 2.79Å; E55-C57 VanDerWaalsContact O-N 3.12Å; E55-I58 PolarHBondContact O-N 3.37Å; E55-L59 HydrophobicContact CG-CD1 4.28Å; E55-L59 WeakPolarHBondContact O-CG 3.35Å; E55-L59 PolarHBondContact O-N 3.5Å |
| 56 | K | 98 | Very high | 97.4 | Very high | 119 Ų | 119 | 95.8 Ų | 95.8 | 52% | 0.517 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -54.4 | -34.3 | 176.9 | -67.8 | -176.1 | -74.7 | 177 | 0 | 112.9 | N33 C54 | N33-K56 HydrophobicContact CB-CB 4.13Å; N33-K56 PolarHBondContact ND2-O 2.89Å; N33-K56 PolarHBondContact O-NZ 3.03Å; C54-K56 VanDerWaalsContact C-N 3.33Å; C54-K56 PolarHBondContact O-N 2.98Å |
| 57 | C | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -83.2 | -35.6 | 177.5 | -76.3 | 0 | 0 | 0 | 0 | 112.5 | N33 H34 C54 E55 L59 I60 I61 | N33-C57 PolarHBondContact ND2-SG 3.25Å; H34-C57 PolarHBondContact NE2-SG 3.44Å; H34-C57 VanDerWaalsContact NE2-SG 3.44Å; C54-C57 CarbonylContact O-C 3.53Å; C54-C57 WeakPolarHBondContact O-CA 3.44Å; C54-C57 WeakPolarHBondContact O-CB 3.42Å; C54-C57 PolarHBondContact O-N 3.46Å; E55-C57 PolarHBondContact O-N 2.79Å; E55-C57 VanDerWaalsContact O-N 3.12Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 2.82Å; C57-I60 WeakPolarHBondContact O-CB 3.14Å; C57-I60 PolarHBondContact O-N 3.45Å; C57-I60 VanDerWaalsContact O-N 3.08Å; C57-I61 WeakPolarHBondContact O-CG1 3.49Å; C57-I61 PolarHBondContact O-N 2.98Å; C57-I61 VanDerWaalsContact O-N 3.14Å |
| 58 | I | 98.1 | Very high | 97.5 | Very high | 90 Ų | 90 | 95.5 Ų | 95.5 | 46% | 0.462 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.6 | -46.8 | 169.9 | -65.1 | 173.8 | 0 | 0 | 0 | 110.3 | T53 C54 E55 I60 I61 E62 | T53-I58 WeakPolarHBondContact O-CD1 3.22Å; C54-I58 PolarHBondContact O-N 2.98Å; E55-I58 PolarHBondContact O-N 3.37Å; I58-I60 PolarHBondContact O-N 2.95Å; I58-I60 VanDerWaalsContact O-N 3.12Å; I58-I61 WeakPolarHBondContact O-CB 3.34Å; I58-I61 PolarHBondContact O-N 2.9Å; I58-E62 PolarHBondContact O-N 2.89Å |
| 59 | L | 97.7 | Very high | 97.6 | Very high | 105 Ų | 105 | 88.5 Ų | 88.5 | 55% | 0.55 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -20.4 | 176.9 | -67.7 | 171.8 | 0 | 0 | 0 | 114.1 | E55 C57 R63 | E55-L59 HydrophobicContact CG-CD1 4.28Å; E55-L59 WeakPolarHBondContact O-CG 3.35Å; E55-L59 PolarHBondContact O-N 3.5Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 2.82Å; L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.26Å; L59-R63 PolarHBondContact O-N 2.69Å |
| 60 | I | 96.8 | Very high | 97.6 | Very high | 21 Ų | 21 | 92.1 Ų | 92.1 | 11% | 0.108 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -81.8 | -41.9 | 170.9 | -69.2 | 176.1 | 0 | 0 | 0 | 111 | A29 N33 C57 I58 R63 Q64 | A29-I60 HydrophobicContact CB-CD1 3.72Å; A29-I60 HydrophobicContact CB-CG2 4.45Å; A29-I60 WeakPolarHBondContact O-CD1 3.25Å; N33-I60 WeakPolarHBondContact ND2-CD1 3.35Å; C57-I60 WeakPolarHBondContact O-CB 3.14Å; C57-I60 PolarHBondContact O-N 3.45Å; C57-I60 VanDerWaalsContact O-N 3.08Å; I58-I60 PolarHBondContact O-N 2.95Å; I58-I60 VanDerWaalsContact O-N 3.12Å; I60-R63 PolarHBondContact O-N 2.91Å; I60-Q64 HydrophobicContact CG2-CG 4.38Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 VanDerWaalsContact O-CG 3.29Å; I60-Q64 WeakPolarHBondContact O-CG 3.41Å; I60-Q64 PolarHBondContact O-N 3.46Å |
| 61 | I | 96.4 | Very high | 97.8 | Very high | 73 Ų | 73 | 90.8 Ų | 90.8 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 178.9 | -60.4 | 165.6 | 0 | 0 | 0 | 109.5 | R30 C57 I58 R63 Q64 R65 | R30-I61 VanDerWaalsContact NH2-CD1 3.3Å; C57-I61 WeakPolarHBondContact O-CG1 3.49Å; C57-I61 PolarHBondContact O-N 2.98Å; C57-I61 VanDerWaalsContact O-N 3.14Å; I58-I61 WeakPolarHBondContact O-CB 3.34Å; I58-I61 PolarHBondContact O-N 2.9Å; I61-R63 PolarHBondContact O-N 2.94Å; I61-Q64 WeakPolarHBondContact O-CB 3.44Å; I61-Q64 PolarHBondContact O-N 2.94Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; I61-R65 PolarHBondContact O-N 3.49Å |
| 62 | E | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 88.1 Ų | 88.1 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | -177.6 | -165.3 | 50.2 | -133.4 | 0 | 0 | 111.9 | I58 Q64 R65 V66 | I58-E62 PolarHBondContact O-N 2.89Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.17Å; E62-R65 WeakPolarHBondContact O-CB 3.5Å; E62-R65 PolarHBondContact O-N 3.35Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 WeakPolarHBondContact OE1-CD 3.29Å; E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.1Å |
| 63 | R | 97.9 | Very high | 97.8 | Very high | 170 Ų | 170 | 90.8 Ų | 90.8 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.6 | -40 | 169.6 | -176.9 | -178.9 | -59.8 | -88.4 | -3.9 | 112.2 | L59 I60 I61 M67 | L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.26Å; L59-R63 PolarHBondContact O-N 2.69Å; I60-R63 PolarHBondContact O-N 2.91Å; I61-R63 PolarHBondContact O-N 2.94Å; R63-M67 HydrophobicContact CG-CG 4.49Å; R63-M67 HydrophobicContact CG-SD 4.12Å; R63-M67 WeakPolarHBondContact O-CB 3.42Å; R63-M67 VanDerWaalsContact O-CG 3.25Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 3.5Å |
| 64 | Q | 96.9 | Very high | 97.8 | Very high | 116 Ų | 116 | 93.1 Ų | 93.1 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 176.7 | -75.9 | 175.7 | -8.2 | 0 | 0 | 111.9 | I60 I61 E62 A68 | I60-Q64 HydrophobicContact CG2-CG 4.38Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 VanDerWaalsContact O-CG 3.29Å; I60-Q64 WeakPolarHBondContact O-CG 3.41Å; I60-Q64 PolarHBondContact O-N 3.46Å; I61-Q64 WeakPolarHBondContact O-CB 3.44Å; I61-Q64 PolarHBondContact O-N 2.94Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.17Å; Q64-A68 VanDerWaalsContact O-CB 3.27Å; Q64-A68 WeakPolarHBondContact O-CB 3.19Å; Q64-A68 PolarHBondContact O-N 2.88Å |
| 65 | R | 98.1 | Very high | 97.8 | Very high | 176 Ų | 176 | 99.2 Ų | 99.2 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.9 | -51.6 | 172.6 | -178.7 | 176.6 | -179.4 | 159.6 | 2.9 | 111.7 | I61 E62 M67 A68 A69 | I61-R65 PolarHBondContact O-N 3.49Å; E62-R65 WeakPolarHBondContact O-CB 3.5Å; E62-R65 PolarHBondContact O-N 3.35Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 WeakPolarHBondContact OE1-CD 3.29Å; R65-M67 PolarHBondContact O-N 3.21Å; R65-A68 PolarHBondContact O-N 3.38Å; R65-A69 PolarHBondContact O-N 2.9Å |
| 66 | V | 98.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 97.8 Ų | 97.8 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | E62 A68 A69 Q70 | E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.1Å; V66-A68 PolarHBondContact O-N 3.2Å; V66-A69 PolarHBondContact O-N 2.94Å; V66-Q70 WeakPolarHBondContact O-CB 3.39Å; V66-Q70 PolarHBondContact O-N 3.08Å |
| 67 | M | 98.2 | Very high | 97.7 | Very high | 108 Ų | 108 | 96.8 Ų | 96.8 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 176.1 | -74.3 | -178.7 | 70.3 | 0 | 0 | 112.7 | R63 R65 Q70 V71 | R63-M67 HydrophobicContact CG-CG 4.49Å; R63-M67 HydrophobicContact CG-SD 4.12Å; R63-M67 WeakPolarHBondContact O-CB 3.42Å; R63-M67 VanDerWaalsContact O-CG 3.25Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 3.5Å; R65-M67 PolarHBondContact O-N 3.21Å; M67-Q70 PolarHBondContact O-N 3.13Å; M67-V71 WeakPolarHBondContact O-CB 3.32Å; M67-V71 VanDerWaalsContact O-CG2 3.29Å; M67-V71 WeakPolarHBondContact O-CG2 3.37Å; M67-V71 PolarHBondContact O-N 3.28Å |
| 68 | A | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 99 Ų | 99 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q64 R65 V66 V71 A72 | Q64-A68 VanDerWaalsContact O-CB 3.27Å; Q64-A68 WeakPolarHBondContact O-CB 3.19Å; Q64-A68 PolarHBondContact O-N 2.88Å; R65-A68 PolarHBondContact O-N 3.38Å; V66-A68 PolarHBondContact O-N 3.2Å; A68-V71 PolarHBondContact O-N 3.38Å; A68-A72 WeakPolarHBondContact O-CB 3.07Å; A68-A72 PolarHBondContact O-N 3.18Å |
| 69 | A | 98.1 | Very high | 97.2 | Very high | 61 Ų | 61 | 99 Ų | 99 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R65 V66 V71 A72 L73 | R65-A69 PolarHBondContact O-N 2.9Å; V66-A69 PolarHBondContact O-N 2.94Å; A69-V71 PolarHBondContact O-N 3.2Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 2.8Å |
| 70 | Q | 98.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 177.7 | -166.6 | -176.9 | 31.5 | 0 | 0 | 112.7 | V66 M67 R74 | V66-Q70 WeakPolarHBondContact O-CB 3.39Å; V66-Q70 PolarHBondContact O-N 3.08Å; M67-Q70 PolarHBondContact O-N 3.13Å; Q70-R74 PolarHBondContact O-N 3.41Å; Q70-R74 VanDerWaalsContact O-N 3.08Å |
| 71 | V | 98.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 100.1 Ų | 100.1 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 174.7 | 169 | 0 | 0 | 0 | 0 | 111.4 | M67 A68 A69 R75 | M67-V71 WeakPolarHBondContact O-CB 3.32Å; M67-V71 VanDerWaalsContact O-CG2 3.29Å; M67-V71 WeakPolarHBondContact O-CG2 3.37Å; M67-V71 PolarHBondContact O-N 3.28Å; A68-V71 PolarHBondContact O-N 3.38Å; A69-V71 PolarHBondContact O-N 3.2Å; V71-R75 WeakPolarHBondContact O-CB 3.3Å; V71-R75 VanDerWaalsContact O-CG 3.26Å; V71-R75 WeakPolarHBondContact O-CG 3.49Å; V71-R75 PolarHBondContact O-N 3.05Å |
| 72 | A | 97.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A68 A69 R74 R75 Q76 | A68-A72 WeakPolarHBondContact O-CB 3.07Å; A68-A72 PolarHBondContact O-N 3.18Å; A69-A72 PolarHBondContact O-N 2.85Å; A72-R74 PolarHBondContact O-N 2.86Å; A72-R75 WeakPolarHBondContact O-CB 3.39Å; A72-R75 PolarHBondContact O-N 3.11Å; A72-R75 VanDerWaalsContact O-N 3.09Å; A72-Q76 PolarHBondContact O-N 3Å |
| 73 | L | 97.9 | Very high | 94.4 | Very high | 89 Ų | 89 | 102.4 Ų | 102.4 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 176.7 | 179.2 | 61.9 | 0 | 0 | 0 | 112 | A69 R75 Q76 Q77 | A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 2.8Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.86Å; L73-Q76 WeakPolarHBondContact O-CB 3.43Å; L73-Q76 PolarHBondContact O-N 2.91Å; L73-Q77 HydrophobicContact CD1-CG 4.48Å; L73-Q77 WeakPolarHBondContact O-CG 3.45Å; L73-Q77 PolarHBondContact O-N 3.38Å |
| 74 | R | 97.8 | Very high | 93.1 | Very high | 165 Ų | 165 | 99 Ų | 99 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -32.6 | 177.1 | -169 | -177.1 | -61 | 168.8 | 2.6 | 112.6 | Q70 A72 A78 | Q70-R74 PolarHBondContact O-N 3.41Å; Q70-R74 VanDerWaalsContact O-N 3.08Å; A72-R74 PolarHBondContact O-N 2.86Å; R74-A78 WeakPolarHBondContact O-CB 3.4Å; R74-A78 PolarHBondContact O-N 2.8Å |
| 75 | R | 97.4 | Very high | 91.7 | Very high | 169 Ų | 169 | 99.9 Ų | 99.9 | 64% | 0.638 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.5 | -40 | 173.8 | -75.7 | 171.2 | 176.2 | -164.8 | -2.8 | 111.5 | V71 A72 L73 A78 N79 | V71-R75 WeakPolarHBondContact O-CB 3.3Å; V71-R75 VanDerWaalsContact O-CG 3.26Å; V71-R75 WeakPolarHBondContact O-CG 3.49Å; V71-R75 PolarHBondContact O-N 3.05Å; A72-R75 WeakPolarHBondContact O-CB 3.39Å; A72-R75 PolarHBondContact O-N 3.11Å; A72-R75 VanDerWaalsContact O-N 3.09Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.86Å; R75-A78 PolarHBondContact O-N 2.92Å; R75-N79 PolarHBondContact O-N 3.05Å; R75-N79 PolarHBondContact O-ND2 3.25Å |
| 76 | Q | 96.6 | Very high | 90.2 | Very high | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.3 | -49.6 | 172 | -177.4 | 177.4 | -13.4 | 0 | 0 | 110.4 | A72 L73 A78 N79 E80 | A72-Q76 PolarHBondContact O-N 3Å; L73-Q76 WeakPolarHBondContact O-CB 3.43Å; L73-Q76 PolarHBondContact O-N 2.91Å; Q76-A78 VanDerWaalsContact C-N 3.27Å; Q76-A78 PolarHBondContact O-N 3.22Å; Q76-N79 PolarHBondContact O-N 3.09Å; Q76-E80 WeakPolarHBondContact O-CG 3.27Å; Q76-E80 PolarHBondContact O-N 2.79Å |
| 77 | Q | 96.3 | Very high | 88.5 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.3 | -36 | 175.8 | -72.5 | 173.5 | -27 | 0 | 0 | 113.6 | L73 E80 S81 | L73-Q77 HydrophobicContact CD1-CG 4.48Å; L73-Q77 WeakPolarHBondContact O-CG 3.45Å; L73-Q77 PolarHBondContact O-N 3.38Å; Q77-E80 WeakPolarHBondContact CA-OE1 3.24Å; Q77-E80 WeakPolarHBondContact CG-OE1 3.42Å; Q77-S81 VanDerWaalsContact O-CB 3.27Å; Q77-S81 WeakPolarHBondContact O-CB 3.29Å; Q77-S81 PolarHBondContact O-N 2.94Å; Q77-S81 PolarHBondContact O-OG 3.47Å |
| 78 | A | 93.4 | Very high | 86.7 | Confident | 47 Ų | 47 | 95.8 Ų | 95.8 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R74 R75 Q76 S81 L82 | R74-A78 WeakPolarHBondContact O-CB 3.4Å; R74-A78 PolarHBondContact O-N 2.8Å; R75-A78 PolarHBondContact O-N 2.92Å; Q76-A78 VanDerWaalsContact C-N 3.27Å; Q76-A78 PolarHBondContact O-N 3.22Å; A78-S81 PolarHBondContact O-OG 3.24Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 3.03Å |
| 79 | N | 92.1 | Very high | 84.9 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -47.7 | 179.4 | -72.8 | -75.7 | 0 | 0 | 0 | 111.9 | R75 Q76 S81 L82 E83 | R75-N79 PolarHBondContact O-N 3.05Å; R75-N79 PolarHBondContact O-ND2 3.25Å; Q76-N79 PolarHBondContact O-N 3.09Å; N79-S81 PolarHBondContact O-N 3.37Å; N79-L82 CarbonylContact O-C 3.58Å; N79-L82 WeakPolarHBondContact O-CA 3.26Å; N79-L82 WeakPolarHBondContact O-CB 3.26Å; N79-L82 PolarHBondContact O-N 2.88Å; N79-E83 WeakPolarHBondContact O-CG 3.49Å; N79-E83 PolarHBondContact O-N 2.94Å |
| 80 | E | 90.2 | Very high | 82.9 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 178.2 | 75.5 | -162.9 | -177.6 | 0 | 0 | 111.5 | Q76 Q77 L82 E83 S84 | Q76-E80 WeakPolarHBondContact O-CG 3.27Å; Q76-E80 PolarHBondContact O-N 2.79Å; Q77-E80 WeakPolarHBondContact CA-OE1 3.24Å; Q77-E80 WeakPolarHBondContact CG-OE1 3.42Å; E80-L82 PolarHBondContact O-N 2.96Å; E80-E83 PolarHBondContact O-N 3.49Å; E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.23Å; E80-S84 PolarHBondContact O-N 3.14Å; E80-S84 PolarHBondContact O-OG 3.15Å; E80-S84 VanDerWaalsContact O-OG 3.08Å |
| 81 | S | 86.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 101 Ų | 101 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 171.8 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | Q77 A78 N79 S84 L85 | Q77-S81 VanDerWaalsContact O-CB 3.27Å; Q77-S81 WeakPolarHBondContact O-CB 3.29Å; Q77-S81 PolarHBondContact O-N 2.94Å; Q77-S81 PolarHBondContact O-OG 3.47Å; A78-S81 PolarHBondContact O-OG 3.24Å; N79-S81 PolarHBondContact O-N 3.37Å; S81-S84 PolarHBondContact O-OG 3.35Å; S81-S84 VanDerWaalsContact O-OG 3.04Å; S81-L85 WeakPolarHBondContact O-CD1 3.43Å; S81-L85 VanDerWaalsContact O-CG 3.27Å; S81-L85 WeakPolarHBondContact O-CG 3.18Å |
| 82 | L | 78.3 | Confident | 78.9 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.2 | -40.8 | 174.8 | -69.4 | 169.8 | 0 | 0 | 0 | 111.7 | A78 N79 E80 S84 L85 I86 | A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 3.03Å; N79-L82 CarbonylContact O-C 3.58Å; N79-L82 WeakPolarHBondContact O-CA 3.26Å; N79-L82 WeakPolarHBondContact O-CB 3.26Å; N79-L82 PolarHBondContact O-N 2.88Å; E80-L82 PolarHBondContact O-N 2.96Å; L82-S84 VanDerWaalsContact C-N 3.31Å; L82-S84 PolarHBondContact O-N 3.11Å; L82-L85 WeakPolarHBondContact O-CB 3.43Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 3Å |
| 83 | E | 75.8 | Confident | 76.4 | Confident | 105 Ų | 105 | 106.6 Ų | 106.6 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.4 | -31.1 | 177.8 | -69 | 174.5 | 141.7 | 0 | 0 | 112.6 | N79 E80 L85 I86 | N79-E83 WeakPolarHBondContact O-CG 3.49Å; N79-E83 PolarHBondContact O-N 2.94Å; E80-E83 PolarHBondContact O-N 3.49Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-I86 PolarHBondContact O-N 3.34Å |
| 84 | S | 70.3 | Confident | 74.2 | Confident | 97 Ų | 97 | 108.2 Ų | 108.2 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -15 | 171.3 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | E80 S81 L82 | E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.23Å; E80-S84 PolarHBondContact O-N 3.14Å; E80-S84 PolarHBondContact O-OG 3.15Å; E80-S84 VanDerWaalsContact O-OG 3.08Å; S81-S84 PolarHBondContact O-OG 3.35Å; S81-S84 VanDerWaalsContact O-OG 3.04Å; L82-S84 VanDerWaalsContact C-N 3.31Å; L82-S84 PolarHBondContact O-N 3.11Å |
| 85 | L | 67.6 | Low | 71.9 | Confident | 135 Ų | 135 | 104 Ų | 104 | 71% | 0.707 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -8 | 173.8 | -72.2 | 169.3 | 0 | 0 | 0 | 113.2 | S81 L82 E83 P87 | S81-L85 WeakPolarHBondContact O-CD1 3.43Å; S81-L85 VanDerWaalsContact O-CG 3.27Å; S81-L85 WeakPolarHBondContact O-CG 3.18Å; L82-L85 WeakPolarHBondContact O-CB 3.43Å; L82-L85 PolarHBondContact O-N 3.37Å; E83-L85 VanDerWaalsContact C-N 3.29Å; L85-P87 WeakPolarHBondContact O-CD 3.26Å |
| 86 | I | 67.2 | Low | 69.4 | Low | 85 Ų | 85 | 103.3 Ų | 103.3 | 44% | 0.436 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -91.8 | 115 | 173.3 | -65.6 | 166.4 | 0 | 0 | 0 | 108.5 | L82 E83 | L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 3Å; E83-I86 PolarHBondContact O-N 3.34Å |
| 87 | P | 63.1 | Low | 66.7 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | trans | -61.8 | 140 | 178.4 | -24 | 35.4 | 0 | 0 | 0 | 112.5 | L85 S89 L90 | L85-P87 WeakPolarHBondContact O-CD 3.26Å; P87-S89 PolarHBondContact O-N 2.97Å; P87-L90 PolarHBondContact O-N 2.94Å; P87-L90 VanDerWaalsContact O-N 3.11Å | ||
| 88 | E | 59.3 | Low | 64.1 | Low | 118 Ų | 118 | 105.1 Ų | 105.1 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -56.1 | -26.2 | -177.7 | -153.9 | 58.9 | -134.5 | 0 | 0 | 113.6 | L90 R91 | E88-L90 PolarHBondContact O-N 3.39Å; E88-L90 VanDerWaalsContact O-N 3.11Å; E88-R91 VanDerWaalsContact CD-NE 3.32Å; E88-R91 PolarHBondContact O-N 3Å; E88-R91 IonicContact OE1-CZ 3.69Å; E88-R91 IonicContact OE1-NE 2.85Å; E88-R91 PolarHBondContact OE1-NE 2.9Å; E88-R91 IonicContact OE1-NH2 3.83Å; E88-R91 IonicContact OE2-CZ 2.66Å; E88-R91 VanDerWaalsContact OE2-CZ 3.3Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 PolarHBondContact OE2-NE 3.1Å; E88-R91 IonicContact OE2-NH2 3.3Å; E88-R91 PolarHBondContact OE2-NH2 3.32Å |
| 89 | S | 59.5 | Low | 61.6 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -60.2 | -16.9 | 178 | 51.5 | 0 | 0 | 0 | 0 | 115 | P87 | P87-S89 PolarHBondContact O-N 2.97Š|
| 90 | L | 57.4 | Low | 58.9 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -96.4 | -7 | 174.7 | -68 | 176.9 | 0 | 0 | 0 | 114 | P87 E88 | P87-L90 PolarHBondContact O-N 2.94Å; P87-L90 VanDerWaalsContact O-N 3.11Å; E88-L90 PolarHBondContact O-N 3.39Å; E88-L90 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 60.4 | Low | 56.4 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 47% | 0.472 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -85.7 | -6.9 | 177.2 | -71.6 | -163.9 | -93 | -126.5 | -11.5 | 114 | E88 | E88-R91 VanDerWaalsContact CD-NE 3.32Å; E88-R91 PolarHBondContact O-N 3Å; E88-R91 IonicContact OE1-CZ 3.69Å; E88-R91 IonicContact OE1-NE 2.85Å; E88-R91 PolarHBondContact OE1-NE 2.9Å; E88-R91 IonicContact OE1-NH2 3.83Å; E88-R91 IonicContact OE2-CZ 2.66Å; E88-R91 VanDerWaalsContact OE2-CZ 3.3Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 PolarHBondContact OE2-NE 3.1Å; E88-R91 IonicContact OE2-NH2 3.3Å; E88-R91 PolarHBondContact OE2-NH2 3.32Å |
| 92 | V | 50.9 | Low | 53.9 | Low | 114 Ų | 114 | 109.2 Ų | 109.2 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | trans | -123.4 | 69.9 | -178.1 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 93 | L | 47.3 | Very low | 52 | Low | 131 Ų | 131 | 112.3 Ų | 112.3 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | trans | -131.1 | 95.2 | 165.6 | -95.1 | 169.6 | 0 | 0 | 0 | 110.2 | G95 | L93-G95 PolarHBondContact O-N 2.99Š| ||
| 94 | P | 50.3 | Low | 50.1 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -70 | 114.1 | 174 | -16.4 | 31.1 | 0 | 0 | 0 | 111.1 | ||||
| 95 | G | 51.1 | Low | 48.5 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | 68.5 | 82.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | L93 | L93-G95 PolarHBondContact O-N 2.99Š| ||
| 96 | I | 43.8 | Very low | 47.1 | Very low | 156 Ų | 156 | 113 Ų | 113 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | -115.3 | 102.8 | 145.8 | -60.2 | 178.7 | 0 | 0 | 0 | 106.9 | ||||
| 97 | G | 39.6 | Very low | 45.4 | Very low | 67 Ų | 67 | 112.9 Ų | 112.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -79.5 | 121.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | S99 | G97-S99 PolarHBondContact O-N 2.85Å; G97-S99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | M | 42.1 | Very low | 44 | Very low | 186 Ų | 186 | 113.7 Ų | 113.7 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -85.4 | 59.3 | 170.5 | -165 | 64.4 | 73.2 | 0 | 0 | 110.6 | ||||
| 99 | S | 41.5 | Very low | 43.3 | Very low | 111 Ų | 111 | 114 Ų | 114 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -92.9 | 99.2 | 171.5 | -66.3 | 0 | 0 | 0 | 0 | 108.8 | G97 A101 | G97-S99 PolarHBondContact O-N 2.85Å; G97-S99 VanDerWaalsContact O-N 3.09Å; S99-A101 PolarHBondContact O-N 3.3Å | ||
| 100 | G | 35.8 | Very low | 42.4 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -60.7 | 129.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 101 | A | 36.9 | Very low | 41.4 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -76.5 | 139.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S99 | S99-A101 PolarHBondContact O-N 3.3Š| ||
| 102 | G | 34.4 | Very low | 40 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -140.7 | 118.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 103 | D | 38.3 | Very low | 39 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -61.6 | 152.8 | -163.9 | -172.4 | 21.7 | 0 | 0 | 0 | 114.7 | ||||
| 104 | G | 34.9 | Very low | 38.3 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 177.3 | 29.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 105 | S | 38 | Very low | 37.5 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | trans | 50.8 | 121.6 | 158.8 | -81.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 106 | Q | 36.9 | Very low | 36.6 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 69.5 | 126.3 | 138.5 | -59.7 | 176.7 | 67.8 | 0 | 0 | 121.3 | ||||
| 107 | G | 30.9 | Very low | 35.8 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 158.8 | 100.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 108 | A | 35.5 | Very low | 35.4 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 154 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 109 | P | 44.4 | Very low | 34.7 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 151.5 | -165.1 | 35.8 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 110 | P | 40.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 149.3 | 153.4 | 35.5 | -29.3 | 0 | 0 | 0 | 111.3 | ||
| 111 | A | 36 | Very low | 33.8 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -111.8 | 168 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 112 | R | 30.2 | Very low | 33.4 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | 82.9 | 156.8 | -172.5 | -54.8 | 170.2 | 169.7 | -176.5 | -5.6 | 114.7 | ||||
| 113 | S | 31.3 | Very low | 33 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | cis | -179.5 | 148.6 | -35.4 | -87.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 114 | E | 32.5 | Very low | 32.6 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | 76.4 | 142.8 | 161.3 | -29.4 | -155.7 | 139.5 | 0 | 0 | 119.4 | ||||
| 115 | E | 32.4 | Very low | 33 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | 73 | 141.7 | 158.6 | -120 | 179.7 | 95.6 | 0 | 0 | 124.2 | ||||
| 116 | L | 31.7 | Very low | 32.9 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 71% | 0.712 | 82% | 0.824 | S | S | * | * | trans | 56.1 | 148.8 | 165.7 | -101.4 | 63 | 0 | 0 | 0 | 119.3 | ||||
| 117 | E | 28.2 | Very low | 32.7 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | cis | -149.7 | 157.7 | -8.3 | -158.7 | 173.6 | 154.5 | 0 | 0 | 109.7 | ||||
| 118 | L | 31.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -94.2 | 123.5 | -178.9 | -60.9 | 97.3 | 0 | 0 | 0 | 113.1 | ||||
| 119 | R | 28.1 | Very low | 32.1 | Very low | 234 Ų | 234 | 154.3 Ų | 154.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -154.5 | 82.6 | 156.3 | -160.8 | 174.5 | 179.8 | -176.6 | -0.8 | 115.7 | ||||
| 120 | W | 27.1 | Very low | 31.4 | Very low | 261 Ų | 261 | 154.5 Ų | 154.5 | 99% | 0.989 | 82% | 0.818 | S | S | * | * | trans | -134.2 | 99.6 | 158 | -76.4 | 95.1 | 0 | 0 | 0 | 110.8 | ||||
| 121 | S | 30.4 | Very low | 30.9 | Very low | 124 Ų | 124 | 152 Ų | 152 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -152.3 | 129.4 | 165.7 | -76.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 122 | G | 28.1 | Very low | 30.6 | Very low | 85 Ų | 85 | 154.8 Ų | 154.8 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | -82.3 | 166.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 123 | A | 26.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -136.4 | 127.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 124 | E | 30.4 | Very low | 30.5 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -96.7 | 169.9 | 164.8 | -103.9 | -75.8 | 109.3 | 0 | 0 | 107.8 | ||||
| 125 | P | 43.1 | Very low | 30.4 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 61% | 0.61 | 81% | 0.81 | S | S | * | * | -111.4 | 178.8 | -101.3 | 41.6 | -35.4 | 0 | 0 | 0 | 113.4 | |||||
| 126 | P | 35.7 | Very low | 30.1 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -113.7 | 151.8 | 159.1 | 36.5 | -27.1 | 0 | 0 | 0 | 113.2 | ||||
| 127 | Q | 31.8 | Very low | 30 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -103.3 | 157.1 | 171 | -62.9 | -179 | 7.5 | 0 | 0 | 111.5 | ||||
| 128 | T | 27.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 127.6 | 134.9 | 136.9 | 65.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 129 | R | 27 | Very low | 29.6 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 73.1 | 93.2 | 146.1 | -73.5 | -179.1 | 80.4 | 161.2 | 5.4 | 123.1 | ||||
| 130 | T | 29.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | 63.8 | 125.3 | 117.7 | 54.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 131 | G | 29.3 | Very low | 29.7 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 107.5 | 142.8 | 159 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 132 | V | 30.8 | Very low | 29.5 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | cis | -142.4 | 177 | -2.3 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 133 | I | 32.2 | Very low | 29.6 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -89.8 | 146.1 | -167.3 | -59.1 | 154.5 | 0 | 0 | 0 | 113.5 | V135 | I133-V135 HydrophobicContact CG2-CG2 4.2Š| ||
| 134 | N | 27.7 | Very low | 29.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 169.2 | 130.5 | 141.8 | -83.3 | -13.5 | 0 | 0 | 0 | 107.6 | ||||
| 135 | V | 30.5 | Very low | 29.7 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | cis | 69.5 | 122 | 36.6 | -174 | 0 | 0 | 0 | 0 | 111.8 | I133 | I133-V135 HydrophobicContact CG2-CG2 4.2Š| ||
| 136 | W | 26.2 | Very low | 29.1 | Very low | 231 Ų | 231 | 135.7 Ų | 135.7 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | cis | -171.6 | 160.6 | -12 | 173.1 | 10 | 0 | 0 | 0 | 106 | ||||
| 137 | V | 29.8 | Very low | 29 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | 142.4 | 164 | 144.5 | 171.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 138 | T | 25.7 | Very low | 29.1 | Very low | 104 Ų | 104 | 132 Ų | 132 | 64% | 0.638 | 75% | 0.745 | S | S | * | * | trans | -80.1 | -170.7 | -169.2 | 54.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 139 | E | 24.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | cis | -164.7 | -173.5 | 13.8 | -147 | 149 | 132.5 | 0 | 0 | 111.8 | ||||
| 140 | A | 27.5 | Very low | 29.4 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | 71 | 149.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 141 | A | 29.7 | Very low | 29.5 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -163.1 | -167.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 142 | D | 26.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 80.8 | 139.9 | 163.7 | -49.4 | 159.1 | 0 | 0 | 0 | 117.2 | ||||
| 143 | D | 28.7 | Very low | 29.8 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | cis | -162.9 | 163.1 | -17.3 | -178 | -143.1 | 0 | 0 | 0 | 110.7 | ||||
| 144 | G | 29 | Very low | 29.8 | Very low | 57 Ų | 57 | 127.3 Ų | 127.3 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | 78.1 | 109.4 | 161 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 145 | Q | 31.4 | Very low | 29.9 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | cis | 74.5 | 134 | 35.1 | -159.7 | 166.8 | -8.1 | 0 | 0 | 113.2 | ||||
| 146 | D | 30.8 | Very low | 29.9 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | cis | -130.9 | -149.3 | 13.3 | -137.6 | -22.3 | 0 | 0 | 0 | 112.7 | ||||
| 147 | E | 33.8 | Very low | 30.1 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | cis | -155.3 | 163.5 | 11.8 | -137.4 | -87.7 | 89.5 | 0 | 0 | 112.2 | ||||
| 148 | A | 33.3 | Very low | 30.4 | Very low | 64 Ų | 64 | 116 Ų | 116 | 53% | 0.529 | 74% | 0.74 | S | S | . | * | trans | 63 | 121.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 149 | S | 32.3 | Very low | 31 | Very low | 130 Ų | 130 | 118.6 Ų | 118.6 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 78 | 134.2 | 137.7 | -154.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 150 | G | 28.4 | Very low | 31.3 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | 172.1 | 144.3 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 151 | G | 31.8 | Very low | 31.6 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 178.6 | 102.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 152 | E | 35.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 124.1 Ų | 124.1 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -70.8 | 167.6 | 164.9 | 62.7 | -160 | 88.6 | 0 | 0 | 112.1 | ||||
| 153 | N | 30.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | cis | -155.9 | -173.3 | 25.4 | 63.7 | 78.8 | 0 | 0 | 0 | 114.5 | ||||
| 154 | T | 31 | Very low | 33.8 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | -22 | 159.2 | 162.6 | 51 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 155 | G | 30 | Very low | 34 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | cis | 158.8 | -172.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 156 | S | 32 | Very low | 33.9 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | 69 | 137.1 | -177.2 | -160 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 157 | S | 29.8 | Very low | 34.5 | Very low | 97 Ų | 97 | 120.4 Ų | 120.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | 141.9 | 130.7 | -17.6 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 158 | S | 36.7 | Very low | 35.7 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 67.2 | 147.5 | 158.8 | -63.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 159 | E | 37.3 | Very low | 35.5 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | cis | -172.7 | 159.2 | -16.4 | -119.8 | 167.2 | 94.1 | 0 | 0 | 111.1 | ||||
| 160 | K | 31.4 | Very low | 35.5 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 79.5 | 108.5 | 143.5 | -150.2 | 161.9 | -169.4 | 163.7 | 0 | 122.9 | ||||
| 161 | E | 33.7 | Very low | 35.9 | Very low | 168 Ų | 168 | 123 Ų | 123 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 38.3 | 157.8 | 112.8 | -64.8 | -78.9 | 89.1 | 0 | 0 | 122.4 | |||||
| 162 | P | 46 | Very low | 36.1 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | cis | -142 | -168.3 | -14.7 | 36.6 | -13.5 | 0 | 0 | 0 | 116.7 | ||||
| 163 | D | 30.7 | Very low | 36.9 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -46.1 | 169 | 167.2 | -109.4 | -80 | 0 | 0 | 0 | 117.8 | ||||
| 164 | P | 53.6 | Low | 36.9 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -157 | 158.1 | 55.6 | 43.5 | -20.7 | 0 | 0 | 0 | 123.2 | |||||
| 165 | A | 33.1 | Very low | 36.9 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 88.5 | 127 | 132.1 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 166 | S | 30 | Very low | 36.9 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 97.5 | 109.3 | 136 | -66.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 167 | S | 44.1 | Very low | 36.8 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -20.1 | 172.9 | 152.1 | -50.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 168 | P | 57.8 | Low | 37.2 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | cis | -124.3 | -152 | 3.3 | 35.9 | -13.1 | 0 | 0 | 0 | 112.1 | ||||
| 169 | E | 29.6 | Very low | 37.2 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | cis | -161.7 | 177.8 | 3.9 | -154.2 | 154.3 | 103 | 0 | 0 | 112.3 | ||||
| 170 | G | 32.3 | Very low | 36.8 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 110.9 | 122.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 171 | S | 37.1 | Very low | 38 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -104.9 | 139.4 | -170.4 | -68.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 172 | K | 36.9 | Very low | 38.6 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | 20.9 | 164 | 127.3 | -73.3 | -178.4 | 179.6 | 177.2 | 0 | 121.5 | |||||
| 173 | P | 51.5 | Low | 37.7 | Very low | 99 Ų | 99 | 133 Ų | 133 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -145.6 | -160.7 | -31.9 | 41.7 | -21.6 | 0 | 0 | 0 | 114.4 | ||||
| 174 | N | 29.6 | Very low | 37.8 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 76.2 | 136 | 163.1 | -60.6 | -9.8 | 0 | 0 | 0 | 117.3 | ||||
| 175 | S | 31.9 | Very low | 36.7 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | cis | 99.9 | 111.2 | 27.2 | -172.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 176 | C | 30 | Very low | 37.2 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | trans | -148.1 | 135.5 | 165.8 | -85.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 177 | Y | 29.1 | Very low | 37.5 | Very low | 222 Ų | 222 | 133 Ų | 133 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | trans | -133.7 | 143.4 | 168.3 | -175.3 | -81.4 | 0 | 0 | 0 | 107.3 | P179 | Y177-P179 WeakPolarHBondContact O-CD 3.38Š| ||
| 178 | T | 38.1 | Very low | 37.6 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -77.6 | 138.7 | -166.9 | -40.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 179 | P | 36.7 | Very low | 36.1 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -134.1 | -178.2 | 136.6 | 34.1 | -18.8 | 0 | 0 | 0 | 113.5 | Y177 | Y177-P179 WeakPolarHBondContact O-CD 3.38Š| ||
| 180 | E | 28.8 | Very low | 36.2 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -119.9 | -157.7 | -166.6 | -156.9 | -148.9 | 128.4 | 0 | 0 | 112.3 | ||||
| 181 | P | 56.7 | Low | 36.1 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | -91.3 | -173 | -109.4 | 43.8 | -35.2 | 0 | 0 | 0 | 115.9 | |||||
| 182 | P | 46.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -148.4 | 160.2 | 132.5 | 37.4 | -20.9 | 0 | 0 | 0 | 118.8 | ||||
| 183 | E | 28.2 | Very low | 35.5 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 71.5 | 148.8 | 146.5 | -76.4 | -177.7 | 89.4 | 0 | 0 | 122.9 | ||||
| 184 | A | 32.4 | Very low | 34.5 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | cis | -164.6 | 157.4 | -8.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 185 | A | 30.5 | Very low | 34.6 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 70.3 | 164.6 | 147 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 186 | P | 44.3 | Very low | 35.1 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -137.4 | 157.2 | -15.2 | 22.2 | 2.2 | 0 | 0 | 0 | 119.1 | ||||
| 187 | Q | 34.8 | Very low | 35.1 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 69.6 | 161.6 | 143.8 | -64.1 | -89.8 | -57.8 | 0 | 0 | 121.5 | ||||
| 188 | P | 46.5 | Very low | 35.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | cis | -142.6 | -174.2 | -40.6 | 41.2 | -23.2 | 0 | 0 | 0 | 116.7 | ||||
| 189 | D | 27.2 | Very low | 34.6 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 76.3 | 147.4 | 155.9 | -132.5 | -156.8 | 0 | 0 | 0 | 119.4 | ||||
| 190 | D | 30.2 | Very low | 34.3 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | cis | -147.8 | 166.4 | 6.3 | -170.3 | 12.8 | 0 | 0 | 0 | 112.9 | ||||
| 191 | S | 31.2 | Very low | 34.4 | Very low | 67 Ų | 67 | 129 Ų | 129 | 47% | 0.469 | 77% | 0.772 | S | S | . | * | trans | 2.8 | 160 | 154.2 | -67 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 192 | R | 31.6 | Very low | 33.3 | Very low | 222 Ų | 222 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | cis | -170.9 | 168.3 | -27.5 | -119 | 174.9 | -71.7 | -171.9 | -2.8 | 109.8 | ||||
| 193 | Y | 29.9 | Very low | 32.8 | Very low | 223 Ų | 223 | 135.7 Ų | 135.7 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -76.8 | 155 | -178.3 | -65.8 | -100.7 | 0 | 0 | 0 | 115.5 | ||||
| 194 | S | 30.2 | Very low | 33.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | 177.3 | 157.2 | 112.9 | -78 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 195 | L | 33 | Very low | 33.1 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 159.5 | 173.6 | -169.5 | 78.7 | 0 | 0 | 0 | 110.4 | ||||
| 196 | P | 41.2 | Very low | 33 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -136.2 | 175.3 | 130.1 | 38 | -27.1 | 0 | 0 | 0 | 115 | ||||
| 197 | K | 29.6 | Very low | 32.4 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -143.6 | 138.5 | -163 | 158.4 | -169.1 | 174.4 | -177.3 | 0 | 110.7 | ||||
| 198 | A | 31.6 | Very low | 31.9 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 173.7 | 147.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 199 | G | 26.8 | Very low | 30.9 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | 83.2 | 143.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 200 | G | 28.9 | Very low | 31.7 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | cis | 152.7 | 141.2 | -14.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 201 | A | 31.9 | Very low | 31.7 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 80.4 | 139.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 202 | D | 32.9 | Very low | 31.4 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | trans | -68.6 | 166.9 | -173.1 | -47.8 | -122.9 | 0 | 0 | 0 | 116.7 | ||||
| 203 | K | 35.1 | Very low | 31.4 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | -175.9 | 133.8 | 116.4 | -102.1 | 163.7 | -176 | 176.9 | 0 | 115.9 | |||||
| 204 | D | 35.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 151.8 | 162.9 | -70.6 | -106.5 | 0 | 0 | 0 | 113.9 | ||||
| 205 | A | 32.1 | Very low | 31.9 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -153.1 | 161.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 206 | K | 29.5 | Very low | 31.8 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -136.2 | 161.3 | -161.4 | 173.6 | 179.9 | 172.6 | -176.6 | 0 | 112.6 | ||||
| 207 | A | 30.1 | Very low | 31.3 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | trans | 81.4 | 155.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 208 | E | 24.4 | Very low | 31.5 | Very low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | cis | -144.9 | 175.4 | 7.3 | -163.6 | 135.9 | 68.1 | 0 | 0 | 111.8 | ||||
| 209 | S | 26.4 | Very low | 31.8 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -139.6 | 147.3 | 179.3 | -166.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 210 | P | 44 | Very low | 32.6 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | -156.5 | 164 | 90.4 | 40.9 | -21.4 | 0 | 0 | 0 | 118.9 | |||||
| 211 | Q | 29.3 | Very low | 33.2 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 66% | 0.659 | 80% | 0.798 | S | S | * | * | trans | 54.7 | 118.5 | 148.8 | -105.6 | 67.1 | -14.3 | 0 | 0 | 122.7 | ||||
| 212 | R | 26.7 | Very low | 34 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | -162.2 | 164.5 | 101.9 | -92.1 | -60.5 | -172.1 | 176.9 | 3 | 109.8 | |||||
| 213 | H | 31.5 | Very low | 34.4 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -100 | 168.5 | -163 | -86.7 | -86.4 | 0 | 0 | 0 | 115 | ||||
| 214 | P | 43.5 | Very low | 35.3 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -103.7 | -179.3 | -151.5 | 40.4 | -38.3 | 0 | 0 | 0 | 116.2 | ||||
| 215 | S | 26.1 | Very low | 35.8 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -150.5 | 147.8 | 156.3 | -79.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 216 | A | 31.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -74.3 | 152.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 217 | S | 30.9 | Very low | 37.7 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -129.6 | 136.5 | 163.6 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 218 | G | 33.4 | Very low | 38.7 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 164.8 | 35.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 219 | E | 38.3 | Very low | 39.6 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -108 | 126.8 | 175.3 | -79.6 | -72.1 | 161.2 | 0 | 0 | 110.7 | N221 | E219-N221 PolarHBondContact O-N 3.3Å; E219-N221 VanDerWaalsContact O-N 3.07Å | ||
| 220 | P | 43.5 | Very low | 40.5 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | trans | -80.6 | 89.7 | -174.8 | 32 | -34.7 | 0 | 0 | 0 | 112.2 | L222 | P220-L222 PolarHBondContact O-N 2.94Å; P220-L222 VanDerWaalsContact O-N 3.11Å | ||
| 221 | N | 40.3 | Very low | 40.6 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | trans | -69.9 | 101.6 | 169.5 | -82.8 | -72.7 | 0 | 0 | 0 | 111.1 | E219 L223 | E219-N221 PolarHBondContact O-N 3.3Å; E219-N221 VanDerWaalsContact O-N 3.07Å; N221-L223 PolarHBondContact O-N 2.99Å | ||
| 222 | L | 48.7 | Very low | 41.1 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -79 | 101.8 | 166 | -66.6 | -179.3 | 0 | 0 | 0 | 109.8 | P220 | P220-L222 PolarHBondContact O-N 2.94Å; P220-L222 VanDerWaalsContact O-N 3.11Å | ||
| 223 | L | 42.4 | Very low | 42 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | -69 | 127.1 | 169.3 | -77.1 | 160.2 | 0 | 0 | 0 | 109.9 | N221 | N221-L223 PolarHBondContact O-N 2.99Š| ||
| 224 | I | 53.3 | Low | 42.8 | Very low | 140 Ų | 140 | 116 Ų | 116 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | trans | -109.6 | 112.3 | 164.8 | -60.9 | 177.1 | 0 | 0 | 0 | 106.3 | ||||
| 225 | E | 45.8 | Very low | 42.8 | Very low | 174 Ų | 174 | 117.1 Ų | 117.1 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -89.3 | 127.4 | -177.2 | -162.7 | 163.7 | 121.1 | 0 | 0 | 110.5 | ||||
| 226 | G | 50.6 | Low | 43.6 | Very low | 41 Ų | 41 | 115.3 Ų | 115.3 | 42% | 0.423 | 71% | 0.705 | S | S | . | * | trans | -129.9 | 156.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S228 G229 | G226-S228 PolarHBondContact O-N 2.94Å; G226-G229 PolarHBondContact O-N 3.3Å | ||
| 227 | L | 51.9 | Low | 44.4 | Very low | 190 Ų | 190 | 115.8 Ų | 115.8 | 100% | 0.995 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 11.1 | -169.5 | -69 | 162.7 | 0 | 0 | 0 | 116 | ||
| 228 | S | 51 | Low | 45.1 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 24 | 172.7 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | G226 | G226-S228 PolarHBondContact O-N 2.94Š|
| 229 | G | 43 | Very low | 45.9 | Very low | 50 Ų | 50 | 121.3 Ų | 121.3 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | trans | 104.9 | 160.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | G226 | G226-G229 PolarHBondContact O-N 3.3Š| ||
| 230 | S | 44.1 | Very low | 46.5 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | trans | -86.9 | 120.9 | -175.9 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 231 | I | 46.2 | Very low | 47.7 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 67% | 0.667 | 69% | 0.686 | S | S | * | * | trans | -100.6 | 104.6 | 172.8 | 38.1 | 169.1 | 0 | 0 | 0 | 110.5 | L233 | I231-L233 PolarHBondContact O-N 2.86Š| ||
| 232 | S | 40.1 | Very low | 49.6 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | -71.1 | 90.5 | 172.7 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | P234 | S232-P234 VanDerWaalsContact O-CD 3.23Å; S232-P234 WeakPolarHBondContact O-CD 3.46Å | ||
| 233 | L | 46 | Very low | 51.2 | Low | 121 Ų | 121 | 115.3 Ų | 115.3 | 63% | 0.634 | 66% | 0.655 | S | S | * | * | trans | -81.7 | 112.5 | 173.3 | -65.2 | 179.9 | 0 | 0 | 0 | 110 | I231 L235 | I231-L233 PolarHBondContact O-N 2.86Å; L233-L235 PolarHBondContact O-N 3.38Å | ||
| 234 | P | 48.3 | Very low | 53.2 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | trans | -70.3 | 100.2 | 175.1 | 28.4 | -33.9 | 0 | 0 | 0 | 109.7 | S232 S236 | S232-P234 VanDerWaalsContact O-CD 3.23Å; S232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-S236 PolarHBondContact O-N 3.03Å | ||
| 235 | L | 42.5 | Very low | 54.7 | Low | 137 Ų | 137 | 107.7 Ų | 107.7 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | trans | -70.3 | 12.9 | -173.6 | -77.2 | 167.1 | 0 | 0 | 0 | 114.8 | L233 L237 | L233-L235 PolarHBondContact O-N 3.38Å; L235-L237 PolarHBondContact O-N 3.5Å | ||
| 236 | S | 44.3 | Very low | 56.7 | Low | 86 Ų | 86 | 101.2 Ų | 101.2 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | trans | -71.3 | 32.2 | 171 | -35.5 | 0 | 0 | 0 | 0 | 113.5 | P234 R238 | P234-S236 PolarHBondContact O-N 3.03Å; S236-R238 PolarHBondContact O-N 2.92Å | ||
| 237 | L | 48.2 | Very low | 58.4 | Low | 119 Ų | 119 | 99.3 Ų | 99.3 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | trans | -74.5 | 73.4 | 167.6 | -74.5 | 178.8 | 0 | 0 | 0 | 109.9 | L235 A239 | L235-L237 PolarHBondContact O-N 3.5Å; L237-A239 PolarHBondContact O-N 2.96Å | ||
| 238 | R | 45 | Very low | 60.1 | Low | 216 Ų | 216 | 93.6 Ų | 93.6 | 82% | 0.815 | 53% | 0.534 | S | S | * | . | trans | -48.4 | 127.7 | 155.9 | -69.3 | -78 | -173.6 | 152.5 | 0.5 | 107.3 | S236 N240 R241 | S236-R238 PolarHBondContact O-N 2.92Å; R238-N240 PolarHBondContact O-N 3.29Å; R238-R241 PolarHBondContact O-N 3.29Å | ||
| 239 | A | 50.9 | Low | 61.7 | Low | 101 Ų | 101 | 94.4 Ų | 94.4 | 84% | 0.835 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 24 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L237 | L237-A239 PolarHBondContact O-N 2.96Š|
| 240 | N | 50 | Low | 63.9 | Low | 153 Ų | 153 | 96.1 Ų | 96.1 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 23.7 | -178.4 | -65.3 | -67.2 | 0 | 0 | 0 | 111.6 | R238 | R238-N240 PolarHBondContact O-N 3.29Š|
| 241 | R | 68.5 | Low | 65.9 | Low | 134 Ų | 134 | 93 Ų | 93 | 51% | 0.506 | 49% | 0.494 | S | S | . | . | trans | -74.8 | 122.5 | 170.8 | -160.3 | -179.7 | -154.9 | 129.3 | 8.8 | 108 | R238 E245 | R238-R241 PolarHBondContact O-N 3.29Å; R241-E245 HydrophobicContact CG-CB 4.24Å | ||
| 242 | P | 80.5 | Confident | 67.6 | Low | 75 Ų | 75 | 91.9 Ų | 91.9 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | trans | -60.7 | 137 | -175.9 | 22.2 | -32.1 | 0 | 0 | 0 | 110.6 | L244 E245 | P242-L244 PolarHBondContact O-N 3.37Å; P242-E245 HydrophobicContact CG-CB 4.44Å; P242-E245 HydrophobicContact CG-CG 3.86Å; P242-E245 PolarHBondContact O-N 2.89Å | ||
| 243 | P | 82.5 | Confident | 69.7 | Low | 44 Ų | 44 | 92.4 Ų | 92.4 | 29% | 0.286 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.8 | -31.3 | -172 | -29.8 | 35.6 | 0 | 0 | 0 | 114.4 | E245 V246 L247 L263 L270 | P243-E245 VanDerWaalsContact C-N 3.3Å; P243-E245 PolarHBondContact O-N 3.47Å; P243-V246 WeakPolarHBondContact O-CA 3.48Å; P243-V246 WeakPolarHBondContact O-CB 3.47Å; P243-V246 PolarHBondContact O-N 3.01Å; P243-L247 PolarHBondContact O-N 3.08Å; P243-L263 HydrophobicContact CB-CD1 3.74Å; P243-L263 HydrophobicContact CB-CD2 3.92Å; P243-L263 HydrophobicContact CB-CG 4.5Å; P243-L270 HydrophobicContact CB-CB 4.24Å; P243-L270 HydrophobicContact CB-CD1 4.24Å |
| 244 | L | 83.7 | Confident | 71.5 | Confident | 29 Ų | 29 | 89.1 Ų | 89.1 | 15% | 0.152 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -56.4 | -39 | 175 | 178.9 | 62 | 0 | 0 | 0 | 113.4 | P242 V246 L247 K248 L259 E260 L263 | P242-L244 PolarHBondContact O-N 3.37Å; L244-V246 VanDerWaalsContact C-N 3.28Å; L244-V246 PolarHBondContact O-N 3.25Å; L244-L247 PolarHBondContact O-N 3.36Å; L244-K248 HydrophobicContact CD1-CG 4.47Å; L244-K248 HydrophobicContact CG-CD 4.3Å; L244-K248 WeakPolarHBondContact O-CB 3.39Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.45Å; L244-K248 PolarHBondContact O-N 3.43Å; L244-L259 HydrophobicContact CD1-CB 3.85Å; L244-E260 HydrophobicContact CD1-CG 3.58Å; L244-E260 HydrophobicContact CD2-CG 3.57Å; L244-E260 HydrophobicContact CG-CG 4.21Å; L244-L263 HydrophobicContact CB-CD2 3.92Å |
| 245 | E | 85.3 | Confident | 73.4 | Confident | 76 Ų | 76 | 92.8 Ų | 92.8 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.2 | -25.7 | 178.4 | -67.5 | -59.3 | 124 | 0 | 0 | 112 | R241 P242 P243 K248 K249 | R241-E245 HydrophobicContact CG-CB 4.24Å; P242-E245 HydrophobicContact CG-CB 4.44Å; P242-E245 HydrophobicContact CG-CG 3.86Å; P242-E245 PolarHBondContact O-N 2.89Å; P243-E245 VanDerWaalsContact C-N 3.3Å; P243-E245 PolarHBondContact O-N 3.47Å; E245-K248 WeakPolarHBondContact OE1-CD 3.33Å; E245-K248 WeakPolarHBondContact OE1-CE 3.3Å; E245-K248 IonicContact OE1-NZ 2.81Å; E245-K248 PolarHBondContact OE1-NZ 3.46Å; E245-K249 PolarHBondContact O-N 3.34Å |
| 246 | V | 88.6 | Confident | 75.4 | Confident | 39 Ų | 39 | 89.2 Ų | 89.2 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -74.3 | -45.7 | 171.7 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | P243 L244 K248 K249 I250 L270 | P243-V246 WeakPolarHBondContact O-CA 3.48Å; P243-V246 WeakPolarHBondContact O-CB 3.47Å; P243-V246 PolarHBondContact O-N 3.01Å; L244-V246 VanDerWaalsContact C-N 3.28Å; L244-V246 PolarHBondContact O-N 3.25Å; V246-K248 PolarHBondContact O-N 2.89Å; V246-K249 PolarHBondContact O-N 3.46Å; V246-K249 VanDerWaalsContact O-N 3.12Å; V246-I250 HydrophobicContact CG1-CD1 3.79Å; V246-I250 HydrophobicContact CG1-CG1 4.4Å; V246-I250 WeakPolarHBondContact O-CG1 3.39Å; V246-I250 PolarHBondContact O-N 3.36Å; V246-L270 HydrophobicContact CB-CD1 4.08Å; V246-L270 HydrophobicContact CB-CD2 4.13Å; V246-L270 HydrophobicContact CG1-CD1 4.19Å; V246-L270 HydrophobicContact CG1-CD2 3.87Å; V246-L270 HydrophobicContact CG2-CD2 4.45Å |
| 247 | L | 86.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 174.5 | -70 | 177 | 0 | 0 | 0 | 112.6 | P243 L244 K249 I250 F251 L259 L263 L270 A273 I274 L277 | P243-L247 PolarHBondContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 3.36Å; L247-K249 PolarHBondContact O-N 3.29Å; L247-I250 PolarHBondContact O-N 2.87Å; L247-F251 HydrophobicContact CD2-CD2 4.28Å; L247-F251 HydrophobicContact CD2-CE2 4.23Å; L247-F251 PolarHBondContact O-N 3.07Å; L247-L259 HydrophobicContact CB-CB 4.35Å; L247-L259 HydrophobicContact CB-CD1 4.3Å; L247-L259 HydrophobicContact CB-CD2 4.37Å; L247-L263 HydrophobicContact CD1-CB 3.95Å; L247-L263 HydrophobicContact CD1-CD1 4.21Å; L247-L263 HydrophobicContact CD1-CD2 4.39Å; L247-L263 HydrophobicContact CD1-CG 4.41Å; L247-L270 HydrophobicContact CD2-CD1 3.73Å; L247-L270 HydrophobicContact CG-CD1 3.75Å; L247-A273 HydrophobicContact CD1-CB 3.94Å; L247-A273 HydrophobicContact CD2-CB 4.24Å; L247-I274 HydrophobicContact CD2-CG1 3.78Å; L247-L277 HydrophobicContact CD2-CD1 3.89Å |
| 248 | K | 87.1 | Confident | 79.5 | Confident | 71 Ų | 71 | 86.5 Ų | 86.5 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.5 | -36.2 | 174.7 | -76.3 | 169.1 | -178.7 | 171.3 | 0 | 112.4 | L244 E245 V246 L259 | L244-K248 HydrophobicContact CD1-CG 4.47Å; L244-K248 HydrophobicContact CG-CD 4.3Å; L244-K248 WeakPolarHBondContact O-CB 3.39Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.45Å; L244-K248 PolarHBondContact O-N 3.43Å; E245-K248 WeakPolarHBondContact OE1-CD 3.33Å; E245-K248 WeakPolarHBondContact OE1-CE 3.3Å; E245-K248 IonicContact OE1-NZ 2.81Å; E245-K248 PolarHBondContact OE1-NZ 3.46Å; V246-K248 PolarHBondContact O-N 2.89Å; K248-L259 HydrophobicContact CB-CD1 4.44Å; K248-L259 HydrophobicContact CG-CD1 3.95Å |
| 249 | K | 84.9 | Confident | 81.5 | Confident | 148 Ų | 148 | 76.3 Ų | 76.3 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -80.4 | -31.9 | -179.9 | -168.2 | 172 | -178.5 | -178.7 | 0 | 113.3 | E245 V246 L247 | E245-K249 PolarHBondContact O-N 3.34Å; V246-K249 PolarHBondContact O-N 3.46Å; V246-K249 VanDerWaalsContact O-N 3.12Å; L247-K249 PolarHBondContact O-N 3.29Å |
| 250 | I | 88.2 | Confident | 83.3 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.3 | -37.8 | 175.3 | -64.2 | 170.5 | 0 | 0 | 0 | 111 | V246 L247 P252 I274 | V246-I250 HydrophobicContact CG1-CD1 3.79Å; V246-I250 HydrophobicContact CG1-CG1 4.4Å; V246-I250 WeakPolarHBondContact O-CG1 3.39Å; V246-I250 PolarHBondContact O-N 3.36Å; L247-I250 PolarHBondContact O-N 2.87Å; I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.47Å; I250-I274 HydrophobicContact CD1-CD1 3.86Å; I250-I274 HydrophobicContact CD1-CG1 4.42Å |
| 251 | F | 86.3 | Confident | 85.2 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | trans | -120.8 | 61 | -174.4 | -60 | -74.6 | 0 | 0 | 0 | 112.7 | L247 T253 H254 L259 I274 L277 L278 | L247-F251 HydrophobicContact CD2-CD2 4.28Å; L247-F251 HydrophobicContact CD2-CE2 4.23Å; L247-F251 PolarHBondContact O-N 3.07Å; F251-T253 PolarHBondContact O-N 3.02Å; F251-H254 HydrophobicContact CB-CB 4.2Å; F251-H254 PolarHBondContact O-N 2.81Å; F251-L259 HydrophobicContact CB-CD2 4.22Å; F251-I274 HydrophobicContact CE2-CG1 4.14Å; F251-I274 HydrophobicContact CE2-CG2 4.47Å; F251-I274 HydrophobicContact CZ-CG2 4.3Å; F251-L277 HydrophobicContact CD2-CB 4.36Å; F251-L277 HydrophobicContact CD2-CD1 3.62Å; F251-L277 HydrophobicContact CD2-CG 4.49Å; F251-L277 HydrophobicContact CE1-CB 4.15Å; F251-L277 HydrophobicContact CE2-CB 3.82Å; F251-L277 HydrophobicContact CE2-CD1 3.64Å; F251-L277 HydrophobicContact CE2-CG 4.33Å; F251-L277 HydrophobicContact CG-CD1 4.33Å; F251-L277 HydrophobicContact CZ-CB 3.7Å; F251-L277 HydrophobicContact CZ-CD1 4.4Å; F251-L278 HydrophobicContact CE1-CD2 4.01Å; F251-L278 HydrophobicContact CZ-CD2 4.12Å; F251-L278 HydrophobicContact CZ-CG 4.2Å | ||
| 252 | P | 83 | Confident | 86.1 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 69% | 0.688 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.9 | -175.9 | 28.3 | -37.1 | 0 | 0 | 0 | 114.4 | I250 | I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.47Å |
| 253 | T | 82.9 | Confident | 86.7 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -9.2 | 174.7 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | F251 R281 | F251-T253 PolarHBondContact O-N 3.02Å; T253-R281 PolarHBondContact OG1-NH1 3.25Å |
| 254 | H | 84.1 | Confident | 87 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -98.4 | 136.2 | -178.8 | -78.2 | -100.5 | 0 | 0 | 0 | 111.5 | F251 L259 R281 | F251-H254 HydrophobicContact CB-CB 4.2Å; F251-H254 PolarHBondContact O-N 2.81Å; H254-L259 HydrophobicContact CB-CD1 4.46Å; H254-L259 HydrophobicContact CB-CD2 3.79Å; H254-L259 HydrophobicContact CB-CG 4.16Å; H254-R281 WeakPolarHBondContact NE2-CD 3.46Å; H254-R281 PolarHBondContact NE2-NH1 2.92Å |
| 255 | K | 88.7 | Confident | 87.1 | Confident | 162 Ų | 162 | 74.7 Ų | 74.7 | 70% | 0.704 | 40% | 0.395 | S | S | * | . | trans | -67.4 | 135.6 | -178.3 | -67.4 | 178.1 | 179 | 174.8 | 0 | 110.5 | V258 L259 | K255-V258 HydrophobicContact CB-CG2 4.35Å; K255-V258 WeakPolarHBondContact O-CB 3.18Å; K255-V258 PolarHBondContact O-N 3.47Å; K255-L259 PolarHBondContact O-N 2.89Å | ||
| 256 | P | 85.4 | Confident | 87.2 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 40% | 0.403 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -52.2 | -40.6 | -174.9 | 5.5 | -16.4 | 0 | 0 | 0 | 115.7 | V258 L259 E260 | P256-V258 PolarHBondContact O-N 2.99Å; P256-V258 VanDerWaalsContact O-N 3.16Å; P256-L259 WeakPolarHBondContact O-CB 3.5Å; P256-L259 PolarHBondContact O-N 2.87Å; P256-L259 VanDerWaalsContact O-N 3.1Å; P256-E260 WeakPolarHBondContact O-CG 3.46Å; P256-E260 PolarHBondContact O-N 3.46Å |
| 257 | P | 88.4 | Confident | 87 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.7 | -25.7 | 175.8 | -27.8 | 36.4 | 0 | 0 | 0 | 115.1 | L261 | P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 PolarHBondContact O-N 3.16Å |
| 258 | V | 88.6 | Confident | 86.9 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 38% | 0.376 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75.7 | -42.3 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | K255 P256 E260 L261 I262 | K255-V258 HydrophobicContact CB-CG2 4.35Å; K255-V258 WeakPolarHBondContact O-CB 3.18Å; K255-V258 PolarHBondContact O-N 3.47Å; P256-V258 PolarHBondContact O-N 2.99Å; P256-V258 VanDerWaalsContact O-N 3.16Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-L261 PolarHBondContact O-N 3.12Å; V258-I262 HydrophobicContact CG1-CD1 3.95Å; V258-I262 WeakPolarHBondContact O-CG1 3.42Å; V258-I262 PolarHBondContact O-N 3.34Å |
| 259 | L | 87.7 | Confident | 87 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 174.7 | -56.7 | 177.9 | 0 | 0 | 0 | 111.1 | L244 L247 K248 F251 H254 K255 P256 L263 L277 | L244-L259 HydrophobicContact CD1-CB 3.85Å; L247-L259 HydrophobicContact CB-CB 4.35Å; L247-L259 HydrophobicContact CB-CD1 4.3Å; L247-L259 HydrophobicContact CB-CD2 4.37Å; K248-L259 HydrophobicContact CB-CD1 4.44Å; K248-L259 HydrophobicContact CG-CD1 3.95Å; F251-L259 HydrophobicContact CB-CD2 4.22Å; H254-L259 HydrophobicContact CB-CD1 4.46Å; H254-L259 HydrophobicContact CB-CD2 3.79Å; H254-L259 HydrophobicContact CB-CG 4.16Å; K255-L259 PolarHBondContact O-N 2.89Å; P256-L259 WeakPolarHBondContact O-CB 3.5Å; P256-L259 PolarHBondContact O-N 2.87Å; P256-L259 VanDerWaalsContact O-N 3.1Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 PolarHBondContact O-N 3.02Å; L259-L277 HydrophobicContact CD2-CD1 3.49Å; L259-L277 VanDerWaalsContact CD2-CD1 3.49Å; L259-L277 HydrophobicContact CD2-CD2 3.87Å; L259-L277 HydrophobicContact CD2-CG 4.35Å |
| 260 | E | 88.3 | Confident | 87.2 | Confident | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 173.1 | -73.3 | 171.1 | -156.1 | 0 | 0 | 112.5 | L244 P256 V258 R264 | L244-E260 HydrophobicContact CD1-CG 3.58Å; L244-E260 HydrophobicContact CD2-CG 3.57Å; L244-E260 HydrophobicContact CG-CG 4.21Å; P256-E260 WeakPolarHBondContact O-CG 3.46Å; P256-E260 PolarHBondContact O-N 3.46Å; V258-E260 VanDerWaalsContact C-N 3.34Å; E260-R264 WeakPolarHBondContact O-CB 3.45Å; E260-R264 PolarHBondContact O-N 2.94Å |
| 261 | L | 89.6 | Confident | 87.3 | Confident | 103 Ų | 103 | 72 Ų | 72 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 179.4 | -176.4 | 64.9 | 0 | 0 | 0 | 111.8 | P257 V258 R264 G265 | P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 PolarHBondContact O-N 3.16Å; V258-L261 PolarHBondContact O-N 3.12Å; L261-R264 PolarHBondContact O-N 3.48Å; L261-G265 PolarHBondContact O-N 3.37Å |
| 262 | I | 88.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.159 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 178 | -68.6 | 167.7 | 0 | 0 | 0 | 110.2 | V258 R264 G265 C266 A273 V276 L277 | V258-I262 HydrophobicContact CG1-CD1 3.95Å; V258-I262 WeakPolarHBondContact O-CG1 3.42Å; V258-I262 PolarHBondContact O-N 3.34Å; I262-R264 VanDerWaalsContact C-N 3.28Å; I262-R264 PolarHBondContact O-N 2.89Å; I262-G265 CarbonylContact O-C 3.58Å; I262-G265 WeakPolarHBondContact O-CA 3.42Å; I262-G265 PolarHBondContact O-N 3.05Å; I262-C266 PolarHBondContact O-N 3.33Å; I262-C266 PolarHBondContact O-SG 2.93Å; I262-C266 VanDerWaalsContact O-SG 3.38Å; I262-A273 HydrophobicContact CG2-CB 4.02Å; I262-V276 HydrophobicContact CD1-CG1 4.3Å; I262-V276 HydrophobicContact CG1-CG1 4.29Å; I262-V276 HydrophobicContact CG2-CB 3.99Å; I262-V276 HydrophobicContact CG2-CG1 3.81Å; I262-L277 HydrophobicContact CD1-CD2 3.55Å; I262-L277 HydrophobicContact CD1-CG 3.81Å; I262-L277 HydrophobicContact CG2-CG 4.46Å |
| 263 | L | 91.7 | Very high | 87.8 | Confident | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59 | -38.7 | 177.1 | -177.8 | 65.2 | 0 | 0 | 0 | 112.4 | P243 L244 L247 L259 C266 G267 G268 D269 A273 | P243-L263 HydrophobicContact CB-CD1 3.74Å; P243-L263 HydrophobicContact CB-CD2 3.92Å; P243-L263 HydrophobicContact CB-CG 4.5Å; L244-L263 HydrophobicContact CB-CD2 3.92Å; L247-L263 HydrophobicContact CD1-CB 3.95Å; L247-L263 HydrophobicContact CD1-CD1 4.21Å; L247-L263 HydrophobicContact CD1-CD2 4.39Å; L247-L263 HydrophobicContact CD1-CG 4.41Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 PolarHBondContact O-N 3.02Å; L263-C266 CarbonylContact O-C 3.49Å; L263-C266 PolarHBondContact O-N 3.11Å; L263-G267 PolarHBondContact O-N 3.07Å; L263-G268 PolarHBondContact O-N 2.95Å; L263-D269 WeakPolarHBondContact CD1-O 3.26Å; L263-A273 HydrophobicContact CD1-CB 4.29Å |
| 264 | R | 89.1 | Confident | 88.2 | Confident | 190 Ų | 190 | 64.1 Ų | 64.1 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.3 | -33.9 | 175.1 | -166.5 | 176.8 | 76.5 | -143.3 | 5.5 | 112.2 | E260 L261 I262 G267 | E260-R264 WeakPolarHBondContact O-CB 3.45Å; E260-R264 PolarHBondContact O-N 2.94Å; L261-R264 PolarHBondContact O-N 3.48Å; I262-R264 VanDerWaalsContact C-N 3.28Å; I262-R264 PolarHBondContact O-N 2.89Å; R264-G267 PolarHBondContact O-N 3.12Å |
| 265 | G | 86.8 | Confident | 88.4 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 71% | 0.711 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66 | -39 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L261 I262 G267 | L261-G265 PolarHBondContact O-N 3.37Å; I262-G265 CarbonylContact O-C 3.58Å; I262-G265 WeakPolarHBondContact O-CA 3.42Å; I262-G265 PolarHBondContact O-N 3.05Å; G265-G267 PolarHBondContact O-N 3.26Å |
| 266 | C | 87.1 | Confident | 88.3 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 12 | 174.9 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | I262 L263 G268 D269 A273 | I262-C266 PolarHBondContact O-N 3.33Å; I262-C266 PolarHBondContact O-SG 2.93Å; I262-C266 VanDerWaalsContact O-SG 3.38Å; L263-C266 CarbonylContact O-C 3.49Å; L263-C266 PolarHBondContact O-N 3.11Å; C266-G268 PolarHBondContact O-N 2.87Å; C266-G268 VanDerWaalsContact O-N 3.12Å; C266-D269 WeakPolarHBondContact O-CB 3.49Å; C266-D269 PolarHBondContact O-N 2.89Å; C266-A273 HydrophobicContact CB-CB 4.31Å |
| 267 | G | 83.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 17.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L263 R264 G265 | L263-G267 PolarHBondContact O-N 3.07Å; R264-G267 PolarHBondContact O-N 3.12Å; G265-G267 PolarHBondContact O-N 3.26Å |
| 268 | G | 83.9 | Confident | 88.4 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -2.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L263 C266 L270 | L263-G268 PolarHBondContact O-N 2.95Å; C266-G268 PolarHBondContact O-N 2.87Å; C266-G268 VanDerWaalsContact O-N 3.12Å; G268-L270 PolarHBondContact O-N 3.21Å |
| 269 | D | 89.9 | Confident | 88.2 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | trans | -68.2 | 130.4 | 171.9 | 177.8 | 32.6 | 0 | 0 | 0 | 111.4 | L263 C266 V271 G272 A273 | L263-D269 WeakPolarHBondContact CD1-O 3.26Å; C266-D269 WeakPolarHBondContact O-CB 3.49Å; C266-D269 PolarHBondContact O-N 2.89Å; D269-V271 PolarHBondContact OD1-N 2.86Å; D269-G272 PolarHBondContact OD2-N 3.41Å; D269-A273 VanDerWaalsContact O-CB 3.26Å; D269-A273 WeakPolarHBondContact O-CB 3.45Å | ||
| 270 | L | 89.3 | Confident | 87.4 | Confident | 47 Ų | 47 | 66 Ų | 66 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -76.9 | -35.1 | 176.7 | -179.8 | 60.2 | 0 | 0 | 0 | 111.9 | P243 V246 L247 G268 I274 | P243-L270 HydrophobicContact CB-CB 4.24Å; P243-L270 HydrophobicContact CB-CD1 4.24Å; V246-L270 HydrophobicContact CB-CD1 4.08Å; V246-L270 HydrophobicContact CB-CD2 4.13Å; V246-L270 HydrophobicContact CG1-CD1 4.19Å; V246-L270 HydrophobicContact CG1-CD2 3.87Å; V246-L270 HydrophobicContact CG2-CD2 4.45Å; L247-L270 HydrophobicContact CD2-CD1 3.73Å; L247-L270 HydrophobicContact CG-CD1 3.75Å; G268-L270 PolarHBondContact O-N 3.21Å; L270-I274 HydrophobicContact CD1-CD1 4Å; L270-I274 HydrophobicContact CD1-CG1 4.34Å; L270-I274 HydrophobicContact CG-CD1 3.9Å; L270-I274 WeakPolarHBondContact O-CD1 3.27Å; L270-I274 VanDerWaalsContact O-CG1 3.24Å; L270-I274 WeakPolarHBondContact O-CG1 3.49Å; L270-I274 PolarHBondContact O-N 3.09Å |
| 271 | V | 90.8 | Very high | 86.5 | Confident | 85 Ų | 85 | 68 Ų | 68 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.7 | -54.2 | -172.7 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | D269 A273 I274 E275 | D269-V271 PolarHBondContact OD1-N 2.86Å; V271-A273 PolarHBondContact O-N 3.37Å; V271-I274 WeakPolarHBondContact O-CB 3.48Å; V271-I274 PolarHBondContact O-N 3.03Å; V271-E275 PolarHBondContact O-N 3Å |
| 272 | G | 87.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 70 Ų | 70 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.3 | -33.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | D269 E275 V276 | D269-G272 PolarHBondContact OD2-N 3.41Å; G272-E275 PolarHBondContact O-N 3.22Å; G272-V276 WeakPolarHBondContact O-CB 3.43Å; G272-V276 VanDerWaalsContact O-CG2 3.3Å; G272-V276 WeakPolarHBondContact O-CG2 3.3Å; G272-V276 PolarHBondContact O-N 3.06Å |
| 273 | A | 91.9 | Very high | 83 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L247 I262 L263 C266 D269 V271 L277 | L247-A273 HydrophobicContact CD1-CB 3.94Å; L247-A273 HydrophobicContact CD2-CB 4.24Å; I262-A273 HydrophobicContact CG2-CB 4.02Å; L263-A273 HydrophobicContact CD1-CB 4.29Å; C266-A273 HydrophobicContact CB-CB 4.31Å; D269-A273 VanDerWaalsContact O-CB 3.26Å; D269-A273 WeakPolarHBondContact O-CB 3.45Å; V271-A273 PolarHBondContact O-N 3.37Å; A273-L277 WeakPolarHBondContact O-CB 3.41Å; A273-L277 WeakPolarHBondContact O-CD1 3.49Å; A273-L277 WeakPolarHBondContact O-CG 3.27Å; A273-L277 PolarHBondContact O-N 3.45Å; A273-L277 VanDerWaalsContact O-N 3.09Å |
| 274 | I | 90.4 | Very high | 80.8 | Confident | 41 Ų | 41 | 81 Ų | 81 | 21% | 0.21 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.4 | -45 | 172.6 | -69.6 | 163.4 | 0 | 0 | 0 | 110.4 | L247 I250 F251 L270 V271 V276 L277 L278 | L247-I274 HydrophobicContact CD2-CG1 3.78Å; I250-I274 HydrophobicContact CD1-CD1 3.86Å; I250-I274 HydrophobicContact CD1-CG1 4.42Å; F251-I274 HydrophobicContact CE2-CG1 4.14Å; F251-I274 HydrophobicContact CE2-CG2 4.47Å; F251-I274 HydrophobicContact CZ-CG2 4.3Å; L270-I274 HydrophobicContact CD1-CD1 4Å; L270-I274 HydrophobicContact CD1-CG1 4.34Å; L270-I274 HydrophobicContact CG-CD1 3.9Å; L270-I274 WeakPolarHBondContact O-CD1 3.27Å; L270-I274 VanDerWaalsContact O-CG1 3.24Å; L270-I274 WeakPolarHBondContact O-CG1 3.49Å; L270-I274 PolarHBondContact O-N 3.09Å; V271-I274 WeakPolarHBondContact O-CB 3.48Å; V271-I274 PolarHBondContact O-N 3.03Å; I274-V276 PolarHBondContact O-N 2.99Å; I274-L277 PolarHBondContact O-N 3.17Å; I274-L278 HydrophobicContact CG2-CD1 3.81Å; I274-L278 HydrophobicContact CG2-CG 4.28Å; I274-L278 WeakPolarHBondContact O-CG 3.47Å; I274-L278 PolarHBondContact O-N 3.32Å |
| 275 | E | 89.6 | Confident | 78.4 | Confident | 119 Ų | 119 | 75.8 Ų | 75.8 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 178.9 | -70.9 | 177.6 | 178.4 | 0 | 0 | 112.2 | V271 G272 L278 S279 | V271-E275 PolarHBondContact O-N 3Å; G272-E275 PolarHBondContact O-N 3.22Å; E275-L278 PolarHBondContact O-N 2.66Å; E275-S279 VanDerWaalsContact O-CB 3.26Å; E275-S279 WeakPolarHBondContact O-CB 3.48Å; E275-S279 PolarHBondContact O-N 3.34Å; E275-S279 PolarHBondContact O-OG 2.9Å |
| 276 | V | 86.7 | Confident | 76.3 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 42% | 0.418 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | I262 G272 I274 S279 S280 | I262-V276 HydrophobicContact CD1-CG1 4.3Å; I262-V276 HydrophobicContact CG1-CG1 4.29Å; I262-V276 HydrophobicContact CG2-CB 3.99Å; I262-V276 HydrophobicContact CG2-CG1 3.81Å; G272-V276 WeakPolarHBondContact O-CB 3.43Å; G272-V276 VanDerWaalsContact O-CG2 3.3Å; G272-V276 WeakPolarHBondContact O-CG2 3.3Å; G272-V276 PolarHBondContact O-N 3.06Å; I274-V276 PolarHBondContact O-N 2.99Å; V276-S279 PolarHBondContact O-N 2.75Å; V276-S280 PolarHBondContact O-N 2.83Å; V276-S280 PolarHBondContact O-OG 2.74Å |
| 277 | L | 88.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.8 | -82 | 161.4 | 0 | 0 | 0 | 112.7 | L247 F251 L259 I262 A273 I274 S280 | L247-L277 HydrophobicContact CD2-CD1 3.89Å; F251-L277 HydrophobicContact CD2-CB 4.36Å; F251-L277 HydrophobicContact CD2-CD1 3.62Å; F251-L277 HydrophobicContact CD2-CG 4.49Å; F251-L277 HydrophobicContact CE1-CB 4.15Å; F251-L277 HydrophobicContact CE2-CB 3.82Å; F251-L277 HydrophobicContact CE2-CD1 3.64Å; F251-L277 HydrophobicContact CE2-CG 4.33Å; F251-L277 HydrophobicContact CG-CD1 4.33Å; F251-L277 HydrophobicContact CZ-CB 3.7Å; F251-L277 HydrophobicContact CZ-CD1 4.4Å; L259-L277 HydrophobicContact CD2-CD1 3.49Å; L259-L277 VanDerWaalsContact CD2-CD1 3.49Å; L259-L277 HydrophobicContact CD2-CD2 3.87Å; L259-L277 HydrophobicContact CD2-CG 4.35Å; I262-L277 HydrophobicContact CD1-CD2 3.55Å; I262-L277 HydrophobicContact CD1-CG 3.81Å; I262-L277 HydrophobicContact CG2-CG 4.46Å; A273-L277 WeakPolarHBondContact O-CB 3.41Å; A273-L277 WeakPolarHBondContact O-CD1 3.49Å; A273-L277 WeakPolarHBondContact O-CG 3.27Å; A273-L277 PolarHBondContact O-N 3.45Å; A273-L277 VanDerWaalsContact O-N 3.09Å; I274-L277 PolarHBondContact O-N 3.17Å; L277-S280 PolarHBondContact O-N 3.02Å; L277-S280 PolarHBondContact O-OG 3.28Å |
| 278 | L | 87.1 | Confident | 72.2 | Confident | 105 Ų | 105 | 85.8 Ų | 85.8 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 174.5 | -66.9 | 173.2 | 0 | 0 | 0 | 111.4 | F251 I274 E275 S280 R281 | F251-L278 HydrophobicContact CE1-CD2 4.01Å; F251-L278 HydrophobicContact CZ-CD2 4.12Å; F251-L278 HydrophobicContact CZ-CG 4.2Å; I274-L278 HydrophobicContact CG2-CD1 3.81Å; I274-L278 HydrophobicContact CG2-CG 4.28Å; I274-L278 WeakPolarHBondContact O-CG 3.47Å; I274-L278 PolarHBondContact O-N 3.32Å; E275-L278 PolarHBondContact O-N 2.66Å; L278-S280 PolarHBondContact O-N 3.25Å; L278-R281 PolarHBondContact O-N 3.2Å |
| 279 | S | 83.7 | Confident | 70.4 | Confident | 98 Ų | 98 | 88.6 Ų | 88.6 | 69% | 0.685 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -27.8 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | E275 V276 R281 | E275-S279 VanDerWaalsContact O-CB 3.26Å; E275-S279 WeakPolarHBondContact O-CB 3.48Å; E275-S279 PolarHBondContact O-N 3.34Å; E275-S279 PolarHBondContact O-OG 2.9Å; V276-S279 PolarHBondContact O-N 2.75Å; S279-R281 VanDerWaalsContact C-N 3.31Å |
| 280 | S | 72.1 | Confident | 67.8 | Low | 73 Ų | 73 | 93 Ų | 93 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.1 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | V276 L277 L278 | V276-S280 PolarHBondContact O-N 2.83Å; V276-S280 PolarHBondContact O-OG 2.74Å; L277-S280 PolarHBondContact O-N 3.02Å; L277-S280 PolarHBondContact O-OG 3.28Å; L278-S280 PolarHBondContact O-N 3.25Å |
| 281 | R | 69.8 | Low | 65.1 | Low | 132 Ų | 132 | 94.5 Ų | 94.5 | 50% | 0.498 | 57% | 0.566 | S | S | . | * | trans | -117.3 | 64.6 | -170.1 | -166.1 | 171.9 | 178.5 | 139.9 | 1.6 | 112.7 | T253 H254 L278 S279 | T253-R281 PolarHBondContact OG1-NH1 3.25Å; H254-R281 WeakPolarHBondContact NE2-CD 3.46Å; H254-R281 PolarHBondContact NE2-NH1 2.92Å; L278-R281 PolarHBondContact O-N 3.2Å; S279-R281 VanDerWaalsContact C-N 3.31Å | ||
| 282 | N | 47.4 | Very low | 62.4 | Low | 145 Ų | 145 | 98.7 Ų | 98.7 | 78% | 0.775 | 58% | 0.58 | S | S | * | * | trans | -66.7 | 131.6 | 159 | -83.6 | -36.6 | 0 | 0 | 0 | 109.8 | D284 | N282-D284 PolarHBondContact O-N 3.21Š| ||
| 283 | P | 56.6 | Low | 60.4 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | -92 | 73.4 | -172 | 36.7 | -36.4 | 0 | 0 | 0 | 113 | ||||
| 284 | D | 45.8 | Very low | 57.7 | Low | 163 Ų | 163 | 111.7 Ų | 111.7 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | trans | -124.6 | 120.3 | 170.6 | -89.9 | -56.4 | 0 | 0 | 0 | 111.2 | N282 | N282-D284 PolarHBondContact O-N 3.21Š| ||
| 285 | G | 38 | Very low | 55.7 | Low | 82 Ų | 82 | 115.4 Ų | 115.4 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | trans | 157.5 | 73.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 286 | S | 44 | Very low | 53.1 | Low | 122 Ų | 122 | 115.8 Ų | 115.8 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | trans | -77.5 | 146.2 | -172.3 | -178.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 287 | A | 36 | Very low | 50.7 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -157.5 | 116.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 288 | H | 47.7 | Very low | 48 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | trans | -107.5 | 158.5 | 165.6 | -123.1 | -73.1 | 0 | 0 | 0 | 109.1 | ||||
| 289 | P | 47.3 | Very low | 45.4 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | -146.3 | 172.5 | 122.2 | 30.1 | -10.7 | 0 | 0 | 0 | 115.4 | |||||
| 290 | H | 34.1 | Very low | 43.1 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | 70.7 | 142.9 | 172.2 | -54.7 | -79.7 | 0 | 0 | 0 | 118.4 | ||||
| 291 | A | 32.4 | Very low | 41.2 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -169.9 | 140.3 | -21.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 292 | E | 33.8 | Very low | 39.3 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | 60.7 | 163.7 | 161.2 | -55.5 | -51.6 | 96.2 | 0 | 0 | 120.2 | ||||
| 293 | P | 45.8 | Very low | 39.3 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | -133.4 | 178.9 | -60.5 | 39.4 | -23.7 | 0 | 0 | 0 | 114.2 | |||||
| 294 | H | 35.8 | Very low | 38 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -78.9 | 175.4 | 178.4 | -55.8 | -90.2 | 0 | 0 | 0 | 114.1 | ||||
| 295 | P | 48.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | -145.5 | 139.3 | 86.3 | 38.9 | -22.2 | 0 | 0 | 0 | 117.9 | |||||
| 296 | V | 35.5 | Very low | 37 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 31.5 | 139.9 | 148.4 | -48.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 297 | S | 35.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -165.3 | 152 | 133.5 | -77.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 298 | D | 32.6 | Very low | 36.8 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -78.3 | 169.5 | -167 | -59.8 | -99.5 | 0 | 0 | 0 | 117.3 | ||||
| 299 | G | 31.8 | Very low | 36.1 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 164.5 | 66.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 300 | L | 34.3 | Very low | 35.3 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 44.9 | 97.4 | 143.9 | -55.2 | 177.8 | 0 | 0 | 0 | 122.8 | ||||
| 301 | V | 32.2 | Very low | 35.3 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | 33.1 | 106.2 | 118.4 | -173.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 302 | L | 31.6 | Very low | 35.3 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 50.4 | 173.8 | 130.5 | -91.7 | 94.2 | 0 | 0 | 0 | 122.2 | ||||
| 303 | P | 45.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 139 Ų | 139 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | cis | -135.1 | -176.5 | -3.2 | 44 | -27.3 | 0 | 0 | 0 | 117.2 | ||||
| 304 | Q | 30.8 | Very low | 34.6 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | 48.9 | 129.3 | 144.1 | -111.1 | 77.1 | -10.6 | 0 | 0 | 126.1 | ||||
| 305 | N | 31.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | 46 | 133.9 | 132.1 | -67.6 | -1 | 0 | 0 | 0 | 123.9 | ||||
| 306 | G | 30.4 | Very low | 33.7 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 152.4 | 108.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 307 | H | 37.9 | Very low | 33.8 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 150.3 | 171.2 | -69.6 | -111 | 0 | 0 | 0 | 112.9 | ||||
| 308 | L | 37.4 | Very low | 34.5 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 160.4 | 139.3 | 114.5 | -85 | 162.1 | 0 | 0 | 0 | 114.2 | |||||
| 309 | F | 33.2 | Very low | 34.6 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 60.3 | 149.8 | 156.1 | -72.9 | -57 | 0 | 0 | 0 | 120.2 | ||||
| 310 | E | 30.2 | Very low | 34.7 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | cis | -151.7 | 131.4 | -14.5 | -164.5 | 168.7 | 113.4 | 0 | 0 | 112 | ||||
| 311 | H | 35.1 | Very low | 34.6 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | 37 | 121.7 | 153.4 | -67.7 | -142.6 | 0 | 0 | 0 | 122.6 | ||||
| 312 | A | 32.6 | Very low | 34.7 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -172.3 | 147.1 | 107 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 313 | L | 35.2 | Very low | 34.9 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | trans | 67.3 | 129.7 | 167.4 | -48 | -178.4 | 0 | 0 | 0 | 119.3 | ||||
| 314 | G | 30 | Very low | 35 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 139.4 | 104.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 315 | S | 32.2 | Very low | 35.4 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 29.6 | 125 | 153.3 | -56.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 316 | Y | 31.8 | Very low | 35.8 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | trans | -88 | 140.9 | 166.7 | -75 | -101.9 | 0 | 0 | 0 | 112.9 | ||||
| 317 | H | 37.9 | Very low | 36.2 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | trans | -130.2 | 134.8 | 158.2 | -92.9 | -95.6 | 0 | 0 | 0 | 109.6 | ||||
| 318 | P | 50.5 | Low | 36.2 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 144.5 | 177.3 | 33.5 | -33.6 | 0 | 0 | 0 | 112 | ||
| 319 | V | 34.9 | Very low | 36.2 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 146 | 174.5 | 179 | 0 | 0 | 0 | 0 | 110.6 | ||
| 320 | S | 32.3 | Very low | 36.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 145.4 | -165.7 | -50.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 321 | S | 32.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.7 | 165.8 | -55 | 0 | 0 | 0 | 0 | 112.8 | A323 | S321-A323 PolarHBondContact O-N 2.99Š|
| 322 | S | 34.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -81.5 | 91.5 | 166.8 | -169.9 | 0 | 0 | 0 | 0 | 110.6 | K324 | S322-K324 PolarHBondContact O-N 2.76Š| ||
| 323 | A | 36.8 | Very low | 39.3 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | trans | -92.9 | 87.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S321 W325 | S321-A323 PolarHBondContact O-N 2.99Å; A323-W325 PolarHBondContact O-N 3.3Å | ||
| 324 | K | 46.7 | Very low | 40 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -71.8 | 111.9 | 166.1 | -68.6 | 172.9 | -178.6 | 170.8 | 0 | 109.3 | S322 | S322-K324 PolarHBondContact O-N 2.76Š| ||
| 325 | W | 39.8 | Very low | 40.9 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -124.8 | 122.8 | 160.9 | 60.5 | -80.3 | 0 | 0 | 0 | 110 | A323 | A323-W325 PolarHBondContact O-N 3.3Š| ||
| 326 | S | 38.8 | Very low | 41.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -84.7 | 156.5 | -176.1 | -61 | 0 | 0 | 0 | 0 | 111.7 | G328 | S326-G328 PolarHBondContact O-N 3.02Š| ||
| 327 | V | 39.6 | Very low | 42.7 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -63.6 | 131 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | ||
| 328 | G | 37.9 | Very low | 43.2 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 116.1 | 89.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | S326 | S326-G328 PolarHBondContact O-N 3.02Š| ||
| 329 | S | 37.4 | Very low | 42.8 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -166.1 | 119.6 | 136.9 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 330 | A | 48.4 | Very low | 42.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -74.9 | 153.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 331 | F | 48.3 | Very low | 42.9 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | 60.2 | 80.1 | 177.3 | -56.8 | -82 | 0 | 0 | 0 | 116 | ||||
| 332 | R | 52.6 | Low | 43 | Very low | 222 Ų | 222 | 136.7 Ų | 136.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -127.8 | 139.2 | 150.5 | -70.8 | -63.8 | -178.3 | 177.7 | -1.4 | 110.4 | ||||
| 333 | V | 47.1 | Very low | 42.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -75.9 | 144.5 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | L337 | V333-L337 HydrophobicContact CG1-CD1 4.48Š| ||
| 334 | P | 49.9 | Very low | 43.2 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | trans | -55.3 | 147.7 | 174.1 | -27.2 | 36.1 | 0 | 0 | 0 | 113.5 | S336 | P334-S336 PolarHBondContact O-N 3.04Š| ||
| 335 | E | 47.8 | Very low | 42.7 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -67.3 | 4.1 | -173.1 | -157.2 | 60.3 | -119.2 | 0 | 0 | 114.4 | L337 R338 | E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 3.49Å; E335-R338 VanDerWaalsContact CD-NH1 3.26Å; E335-R338 WeakPolarHBondContact OE1-CD 3.4Å; E335-R338 WeakPolarHBondContact OE1-CG 3.34Å; E335-R338 IonicContact OE1-CZ 3.63Å; E335-R338 IonicContact OE1-NE 3.18Å; E335-R338 IonicContact OE1-NH1 2.68Å; E335-R338 PolarHBondContact OE1-NH1 2.93Å; E335-R338 IonicContact OE2-NH1 3.07Å; E335-R338 PolarHBondContact OE2-NH1 3.43Å |
| 336 | S | 52.7 | Low | 42.5 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -81.8 | 0.2 | -179.7 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | P334 | P334-S336 PolarHBondContact O-N 3.04Š|
| 337 | L | 49.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -122.9 | 17.3 | 179.8 | -69.1 | 177.1 | 0 | 0 | 0 | 114.4 | V333 E335 F339 | V333-L337 HydrophobicContact CG1-CD1 4.48Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 3.49Å; L337-F339 PolarHBondContact O-N 3.08Å |
| 338 | R | 47.9 | Very low | 42.5 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | trans | -81 | 113.4 | 163.2 | -88.4 | -157.2 | 172.1 | 99.2 | -6.8 | 110.4 | E335 G340 | E335-R338 VanDerWaalsContact CD-NH1 3.26Å; E335-R338 WeakPolarHBondContact OE1-CD 3.4Å; E335-R338 WeakPolarHBondContact OE1-CG 3.34Å; E335-R338 IonicContact OE1-CZ 3.63Å; E335-R338 IonicContact OE1-NE 3.18Å; E335-R338 IonicContact OE1-NH1 2.68Å; E335-R338 PolarHBondContact OE1-NH1 2.93Å; E335-R338 IonicContact OE2-NH1 3.07Å; E335-R338 PolarHBondContact OE2-NH1 3.43Å; R338-G340 PolarHBondContact O-N 3.49Å | ||
| 339 | F | 42.9 | Very low | 42.2 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.8 | 156.7 | -73.7 | -91.4 | 0 | 0 | 0 | 108.7 | L337 S341 | L337-F339 PolarHBondContact O-N 3.08Å; F339-S341 PolarHBondContact O-N 3.48Å |
| 340 | G | 34.3 | Very low | 42.6 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R338 | R338-G340 PolarHBondContact O-N 3.49Š|
| 341 | S | 35.5 | Very low | 42.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 127 | 161.5 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | F339 | F339-S341 PolarHBondContact O-N 3.48Š|
| 342 | D | 33.5 | Very low | 41.8 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 148.6 | 177.6 | -97.8 | -82 | 0 | 0 | 0 | 112.6 | ||
| 343 | S | 32.2 | Very low | 41 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -140.7 | 105.2 | 160.3 | -76.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 344 | A | 43.6 | Very low | 40.4 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -71.7 | 137.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 345 | S | 36 | Very low | 40 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -179.6 | 135.3 | 135.6 | -83 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 346 | G | 36.6 | Very low | 39.3 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 114 | 106 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 347 | A | 34.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 64.5 | 92.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 348 | L | 43.9 | Very low | 38 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | 52.6 | 105.1 | 127.6 | -56.7 | 177.9 | 0 | 0 | 0 | 120.3 | |||||
| 349 | G | 32.5 | Very low | 37.6 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -164.2 | 115.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 350 | V | 44.4 | Very low | 37.4 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -122.8 | 126.5 | -174.8 | 169.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 351 | P | 44.7 | Very low | 37.8 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | -147.1 | 151.5 | 104.5 | 36.2 | -19 | 0 | 0 | 0 | 117.3 | |||||
| 352 | L | 35.3 | Very low | 38.1 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | 44 | 113.9 | 153 | -86.4 | 61.1 | 0 | 0 | 0 | 120 | ||||
| 353 | Q | 35.8 | Very low | 38.6 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -99.5 | 141.6 | 161.7 | -65.7 | 177.5 | -2.1 | 0 | 0 | 111.4 | ||||
| 354 | H | 34.9 | Very low | 39.1 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -112.4 | 136.9 | 146.3 | -87 | -84.4 | 0 | 0 | 0 | 107.8 | S356 | H354-S356 PolarHBondContact O-N 3.04Š| ||
| 355 | P | 41.4 | Very low | 39 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 118.8 | -169.7 | 30 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 356 | S | 32.8 | Very low | 39.6 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 117.9 | 168.6 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | H354 | H354-S356 PolarHBondContact O-N 3.04Š|
| 357 | F | 35.2 | Very low | 39.8 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.3 | 176 | -100.7 | -101 | 0 | 0 | 0 | 112.1 | ||
| 358 | P | 40.3 | Very low | 40.4 | Very low | 118 Ų | 118 | 153 Ų | 153 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 137.8 | 175.3 | 29.9 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 359 | Q | 38.3 | Very low | 40 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 134.1 | 172.5 | -72.3 | -72.5 | -38.7 | 0 | 0 | 110.4 | ||
| 360 | P | 40.5 | Very low | 40.2 | Very low | 103 Ų | 103 | 151.3 Ų | 151.3 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.6 | 175.8 | 30.5 | -34.6 | 0 | 0 | 0 | 112 | ||
| 361 | A | 40.8 | Very low | 40 | Very low | 96 Ų | 96 | 153 Ų | 153 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 362 | R | 41.8 | Very low | 39.9 | Very low | 215 Ų | 215 | 153.8 Ų | 153.8 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 118.6 | 176.9 | -68.2 | -69.5 | 176.6 | 100.8 | -0.9 | 110.4 | ||
| 363 | Y | 45 | Very low | 40.2 | Very low | 208 Ų | 208 | 156.9 Ų | 156.9 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 152.1 | 166.9 | -75.6 | -94.6 | 0 | 0 | 0 | 111.5 | L365 | Y363-L365 PolarHBondContact O-N 2.82Š|
| 364 | P | 41.8 | Very low | 40.1 | Very low | 123 Ų | 123 | 153.1 Ų | 153.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65 | 126.3 | 177.5 | 27.2 | -34.4 | 0 | 0 | 0 | 111 | M366 | P364-M366 PolarHBondContact O-N 3.2Š|
| 365 | L | 42.4 | Very low | 40.6 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 118.2 | 173.9 | -65.7 | 172.5 | 0 | 0 | 0 | 109.4 | Y363 L367 | Y363-L365 PolarHBondContact O-N 2.82Å; L365-L367 PolarHBondContact O-N 2.93Å |
| 366 | M | 48.5 | Very low | 40.6 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.7 | 165.9 | -61.9 | -154.7 | -54.4 | 0 | 0 | 109.3 | P364 R368 | P364-M366 PolarHBondContact O-N 3.2Å; M366-R368 PolarHBondContact O-N 3.28Å; M366-R368 VanDerWaalsContact O-N 3.07Å |
| 367 | L | 41.8 | Very low | 41.2 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | -70 | 106.6 | 179.1 | -80 | 80.8 | 0 | 0 | 0 | 110 | L365 S369 | L365-L367 PolarHBondContact O-N 2.93Å; L367-S369 PolarHBondContact O-N 3.09Å | ||
| 368 | R | 46.6 | Very low | 42 | Very low | 230 Ų | 230 | 147.1 Ų | 147.1 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -75.9 | 104.3 | 169.4 | -170 | 176.8 | -176.4 | 179.8 | 1.5 | 109.3 | M366 S370 | M366-R368 PolarHBondContact O-N 3.28Å; M366-R368 VanDerWaalsContact O-N 3.07Å; R368-S370 PolarHBondContact O-N 3.31Å; R368-S370 PolarHBondContact O-OG 3.05Å; R368-S370 VanDerWaalsContact O-OG 3.06Å | ||
| 369 | S | 34.2 | Very low | 42 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -48.4 | 106.6 | -177.7 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | L367 L371 | L367-S369 PolarHBondContact O-N 3.09Å; S369-L371 PolarHBondContact O-N 3.28Å | ||
| 370 | S | 38.2 | Very low | 42.9 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -99.5 | 79.6 | -177.6 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | R368 T372 | R368-S370 PolarHBondContact O-N 3.31Å; R368-S370 PolarHBondContact O-OG 3.05Å; R368-S370 VanDerWaalsContact O-OG 3.06Å; S370-T372 PolarHBondContact O-N 2.93Å | ||
| 371 | L | 40.1 | Very low | 43.3 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -63.8 | 113.4 | 176.6 | -76.1 | 169.3 | 0 | 0 | 0 | 110.4 | S369 R373 | S369-L371 PolarHBondContact O-N 3.28Å; L371-R373 PolarHBondContact O-N 3.47Å | ||
| 372 | T | 42.1 | Very low | 44.1 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -76.2 | 112.6 | 179.2 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | S370 S374 | S370-T372 PolarHBondContact O-N 2.93Å; T372-S374 PolarHBondContact O-N 3.09Å | ||
| 373 | R | 40.8 | Very low | 44.9 | Very low | 227 Ų | 227 | 142.5 Ų | 142.5 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -59.2 | 101.4 | 179.9 | -172.1 | -176.7 | -170.4 | -163.1 | 4 | 112.5 | L371 | L371-R373 PolarHBondContact O-N 3.47Š| ||
| 374 | S | 35.1 | Very low | 46.2 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -84 | 120.6 | 166.5 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | T372 S376 | T372-S374 PolarHBondContact O-N 3.09Å; S374-S376 PolarHBondContact O-N 3.39Å | ||
| 375 | Q | 45 | Very low | 47.6 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | -83.2 | 109.9 | 172.2 | -86.4 | -169.4 | 24.1 | 0 | 0 | 111.2 | ||||
| 376 | S | 41.9 | Very low | 49 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -173.2 | 113 | 153 | 51.9 | 0 | 0 | 0 | 0 | 109.4 | S374 | S374-S376 PolarHBondContact O-N 3.39Š| ||
| 377 | G | 45.2 | Very low | 49.9 | Very low | 61 Ų | 61 | 132.2 Ų | 132.2 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 110.5 | 146.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F379 | G377-F379 PolarHBondContact O-N 3.17Š|
| 378 | P | 51 | Low | 51.3 | Low | 134 Ų | 134 | 129.2 Ų | 129.2 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | trans | -81.6 | 98.2 | 178.3 | 32.6 | -32.6 | 0 | 0 | 0 | 110.8 | ||||
| 379 | F | 40.9 | Very low | 52.7 | Low | 171 Ų | 171 | 122.3 Ų | 122.3 | 75% | 0.75 | 68% | 0.675 | S | S | * | * | trans | -77.9 | 130 | 169.1 | -88.8 | -89.2 | 0 | 0 | 0 | 110.7 | G377 | G377-F379 PolarHBondContact O-N 3.17Š| ||
| 380 | V | 57.5 | Low | 54.6 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | trans | -75.5 | 148.1 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | N382 D383 | V380-N382 HydrophobicContact CG2-CB 4.33Å; V380-N382 PolarHBondContact O-N 2.98Å; V380-N382 VanDerWaalsContact O-N 3.1Å; V380-D383 VanDerWaalsContact CG2-OD2 3.3Å; V380-D383 WeakPolarHBondContact CG2-OD2 3.35Å; V380-D383 PolarHBondContact O-N 3.31Å | ||
| 381 | H | 49.4 | Very low | 56.3 | Low | 158 Ų | 158 | 118 Ų | 118 | 73% | 0.731 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.8 | -26.4 | -176.9 | -158.1 | 100.6 | 0 | 0 | 0 | 112.8 | D383 V384 T385 | H381-D383 PolarHBondContact O-N 3.37Å; H381-V384 PolarHBondContact O-N 3.42Å; H381-T385 PolarHBondContact O-N 3.34Å; H381-T385 PolarHBondContact O-OG1 3.08Å |
| 382 | N | 55.8 | Low | 57.8 | Low | 105 Ų | 105 | 114.9 Ų | 114.9 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -41.7 | -176 | -157.1 | -50.6 | 0 | 0 | 0 | 112.9 | V380 V384 T385 L386 | V380-N382 HydrophobicContact CG2-CB 4.33Å; V380-N382 PolarHBondContact O-N 2.98Å; V380-N382 VanDerWaalsContact O-N 3.1Å; N382-V384 VanDerWaalsContact C-N 3.28Å; N382-V384 PolarHBondContact O-N 2.9Å; N382-T385 WeakPolarHBondContact CA-OG1 3.3Å; N382-T385 PolarHBondContact O-N 2.77Å; N382-T385 VanDerWaalsContact O-N 3.14Å; N382-T385 PolarHBondContact O-OG1 2.95Å; N382-L386 PolarHBondContact O-N 3.29Å |
| 383 | D | 59.8 | Low | 59.4 | Low | 67 Ų | 67 | 114 Ų | 114 | 36% | 0.358 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61 | -38.3 | -179.2 | -64 | -50.6 | 0 | 0 | 0 | 111.9 | V380 H381 L386 W387 | V380-D383 VanDerWaalsContact CG2-OD2 3.3Å; V380-D383 WeakPolarHBondContact CG2-OD2 3.35Å; V380-D383 PolarHBondContact O-N 3.31Å; H381-D383 PolarHBondContact O-N 3.37Å; D383-L386 PolarHBondContact O-N 2.68Å; D383-W387 WeakPolarHBondContact O-CB 3.36Å; D383-W387 PolarHBondContact O-N 3.18Å |
| 384 | V | 72.9 | Confident | 60.8 | Low | 89 Ų | 89 | 109 Ų | 109 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -39.9 | 178.5 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | H381 N382 N388 | H381-V384 PolarHBondContact O-N 3.42Å; N382-V384 VanDerWaalsContact C-N 3.28Å; N382-V384 PolarHBondContact O-N 2.9Å; V384-N388 WeakPolarHBondContact O-CB 3.19Å; V384-N388 PolarHBondContact O-N 2.92Å; V384-N388 VanDerWaalsContact O-N 3.08Å; V384-N388 PolarHBondContact O-ND2 3.41Å |
| 385 | T | 70.4 | Confident | 62.5 | Low | 69 Ų | 69 | 109.1 Ų | 109.1 | 42% | 0.423 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.1 | -40.8 | 173.3 | 39.3 | 0 | 0 | 0 | 0 | 112 | H381 N382 N388 T389 | H381-T385 PolarHBondContact O-N 3.34Å; H381-T385 PolarHBondContact O-OG1 3.08Å; N382-T385 WeakPolarHBondContact CA-OG1 3.3Å; N382-T385 PolarHBondContact O-N 2.77Å; N382-T385 VanDerWaalsContact O-N 3.14Å; N382-T385 PolarHBondContact O-OG1 2.95Å; T385-N388 PolarHBondContact O-N 3.5Å; T385-T389 PolarHBondContact O-N 2.98Å; T385-T389 PolarHBondContact O-OG1 3.18Å |
| 386 | L | 71.3 | Confident | 63.8 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.6 | -42.6 | 178.8 | -149.3 | 83 | 0 | 0 | 0 | 112.1 | N382 D383 N388 T389 V390 | N382-L386 PolarHBondContact O-N 3.29Å; D383-L386 PolarHBondContact O-N 2.68Å; L386-N388 VanDerWaalsContact C-N 3.35Å; L386-N388 PolarHBondContact O-N 3.08Å; L386-T389 PolarHBondContact O-N 2.93Å; L386-T389 PolarHBondContact O-OG1 2.94Å; L386-V390 WeakPolarHBondContact O-CB 3.23Å; L386-V390 VanDerWaalsContact O-CG2 3.3Å; L386-V390 WeakPolarHBondContact O-CG2 3.48Å; L386-V390 PolarHBondContact O-N 3.41Å |
| 387 | W | 68.3 | Low | 65.3 | Low | 193 Ų | 193 | 109.9 Ų | 109.9 | 73% | 0.731 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -35.7 | 174.5 | -90.3 | 99.9 | 0 | 0 | 0 | 112.7 | D383 A391 | D383-W387 WeakPolarHBondContact O-CB 3.36Å; D383-W387 PolarHBondContact O-N 3.18Å; W387-A391 WeakPolarHBondContact O-CB 3.44Å; W387-A391 PolarHBondContact O-N 2.98Å |
| 388 | N | 71.2 | Confident | 66.3 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.7 | -40.9 | 175.3 | -83.9 | -76.8 | 0 | 0 | 0 | 112.1 | V384 T385 L386 L392 | V384-N388 WeakPolarHBondContact O-CB 3.19Å; V384-N388 PolarHBondContact O-N 2.92Å; V384-N388 VanDerWaalsContact O-N 3.08Å; V384-N388 PolarHBondContact O-ND2 3.41Å; T385-N388 PolarHBondContact O-N 3.5Å; L386-N388 VanDerWaalsContact C-N 3.35Å; L386-N388 PolarHBondContact O-N 3.08Å; N388-L392 VanDerWaalsContact O-CB 3.23Å; N388-L392 WeakPolarHBondContact O-CB 3.45Å; N388-L392 PolarHBondContact O-N 3Å |
| 389 | T | 74.9 | Confident | 66.7 | Low | 86 Ų | 86 | 114.3 Ų | 114.3 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -42.7 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | T385 L386 L392 Q393 | T385-T389 PolarHBondContact O-N 2.98Å; T385-T389 PolarHBondContact O-OG1 3.18Å; L386-T389 PolarHBondContact O-N 2.93Å; L386-T389 PolarHBondContact O-OG1 2.94Å; T389-L392 PolarHBondContact O-N 3.33Å; T389-Q393 VanDerWaalsContact O-CB 3.24Å; T389-Q393 WeakPolarHBondContact O-CB 3.3Å; T389-Q393 PolarHBondContact O-N 3.41Å |
| 390 | V | 73.7 | Confident | 67.7 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -44.2 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L386 Q393 Q394 | L386-V390 WeakPolarHBondContact O-CB 3.23Å; L386-V390 VanDerWaalsContact O-CG2 3.3Å; L386-V390 WeakPolarHBondContact O-CG2 3.48Å; L386-V390 PolarHBondContact O-N 3.41Å; V390-Q393 PolarHBondContact O-N 2.85Å; V390-Q394 WeakPolarHBondContact O-CB 3.44Å; V390-Q394 PolarHBondContact O-N 3.49Å |
| 391 | A | 74.1 | Confident | 67.5 | Low | 51 Ų | 51 | 108.1 Ų | 108.1 | 42% | 0.421 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.5 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W387 Q395 | W387-A391 WeakPolarHBondContact O-CB 3.44Å; W387-A391 PolarHBondContact O-N 2.98Å; A391-Q395 WeakPolarHBondContact O-CB 3.38Å; A391-Q395 PolarHBondContact O-N 3.39Å |
| 392 | L | 73.1 | Confident | 67.6 | Low | 109 Ų | 109 | 104.3 Ų | 104.3 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.3 | -42.8 | 176.1 | -169.6 | 70.5 | 0 | 0 | 0 | 111.3 | N388 T389 Q395 Y396 | N388-L392 VanDerWaalsContact O-CB 3.23Å; N388-L392 WeakPolarHBondContact O-CB 3.45Å; N388-L392 PolarHBondContact O-N 3Å; T389-L392 PolarHBondContact O-N 3.33Å; L392-Q395 PolarHBondContact O-N 2.87Å; L392-Y396 PolarHBondContact O-N 3.14Å |
| 393 | Q | 75.6 | Confident | 67.3 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -46.1 | 175.9 | -175.9 | 63.9 | 39.8 | 0 | 0 | 111.7 | T389 V390 Y396 Q397 | T389-Q393 VanDerWaalsContact O-CB 3.24Å; T389-Q393 WeakPolarHBondContact O-CB 3.3Å; T389-Q393 PolarHBondContact O-N 3.41Å; V390-Q393 PolarHBondContact O-N 2.85Å; Q393-Y396 WeakPolarHBondContact O-CB 3.45Å; Q393-Y396 PolarHBondContact O-N 2.97Å; Q393-Q397 PolarHBondContact O-N 3.37Å |
| 394 | Q | 70.6 | Confident | 66.6 | Low | 122 Ų | 122 | 114 Ų | 114 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 176.4 | -173.7 | 175 | 76.4 | 0 | 0 | 111.5 | V390 Y396 Q397 L398 | V390-Q394 WeakPolarHBondContact O-CB 3.44Å; V390-Q394 PolarHBondContact O-N 3.49Å; Q394-Y396 VanDerWaalsContact C-N 3.29Å; Q394-Y396 PolarHBondContact O-N 3.28Å; Q394-Q397 PolarHBondContact O-N 2.9Å; Q394-L398 HydrophobicContact CG-CD1 4.33Å; Q394-L398 WeakPolarHBondContact O-CG 3.3Å; Q394-L398 PolarHBondContact O-N 3.3Å |
| 395 | Q | 69.7 | Low | 65.4 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.3 | -33.3 | 173.8 | -169 | -178.3 | -108 | 0 | 0 | 112.2 | A391 L392 R399 | A391-Q395 WeakPolarHBondContact O-CB 3.38Å; A391-Q395 PolarHBondContact O-N 3.39Å; L392-Q395 PolarHBondContact O-N 2.87Å; Q395-R399 VanDerWaalsContact O-CB 3.3Å; Q395-R399 WeakPolarHBondContact O-CB 3.24Å; Q395-R399 PolarHBondContact O-N 3.34Å; Q395-R399 VanDerWaalsContact O-N 3.09Å |
| 396 | Y | 73.2 | Confident | 63.9 | Low | 176 Ų | 176 | 117.9 Ų | 117.9 | 69% | 0.69 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.4 | -43.7 | 175.8 | -144.1 | -85.5 | 0 | 0 | 0 | 111.7 | L392 Q393 Q394 R399 S400 | L392-Y396 PolarHBondContact O-N 3.14Å; Q393-Y396 WeakPolarHBondContact O-CB 3.45Å; Q393-Y396 PolarHBondContact O-N 2.97Å; Q394-Y396 VanDerWaalsContact C-N 3.29Å; Q394-Y396 PolarHBondContact O-N 3.28Å; Y396-R399 PolarHBondContact O-N 3.46Å; Y396-S400 PolarHBondContact O-N 2.74Å; Y396-S400 PolarHBondContact O-OG 3.43Å |
| 397 | Q | 71.9 | Confident | 62.9 | Low | 118 Ų | 118 | 117.7 Ų | 117.7 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -42.6 | 174.9 | -73.1 | 176.8 | -19.6 | 0 | 0 | 112.6 | Q393 Q394 R399 S400 A401 | Q393-Q397 PolarHBondContact O-N 3.37Å; Q394-Q397 PolarHBondContact O-N 2.9Å; Q397-R399 VanDerWaalsContact C-N 3.25Å; Q397-R399 PolarHBondContact O-N 3.41Å; Q397-S400 PolarHBondContact O-N 3.1Å; Q397-S400 PolarHBondContact O-OG 2.85Å; Q397-S400 VanDerWaalsContact O-OG 3.08Å; Q397-A401 WeakPolarHBondContact O-CB 3.36Å; Q397-A401 PolarHBondContact O-N 3.01Å |
| 398 | L | 66.8 | Low | 61.3 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.9 | -30.8 | 174.6 | -70.8 | 170.1 | 0 | 0 | 0 | 112.1 | Q394 A402 | Q394-L398 HydrophobicContact CG-CD1 4.33Å; Q394-L398 WeakPolarHBondContact O-CG 3.3Å; Q394-L398 PolarHBondContact O-N 3.3Å; L398-A402 PolarHBondContact O-N 3.11Å |
| 399 | R | 60 | Low | 59.6 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -80.6 | -31.4 | 178.9 | -174.8 | 152.7 | -72.9 | 169.8 | -0.2 | 113.6 | Q395 Y396 Q397 | Q395-R399 VanDerWaalsContact O-CB 3.3Å; Q395-R399 WeakPolarHBondContact O-CB 3.24Å; Q395-R399 PolarHBondContact O-N 3.34Å; Q395-R399 VanDerWaalsContact O-N 3.09Å; Y396-R399 PolarHBondContact O-N 3.46Å; Q397-R399 VanDerWaalsContact C-N 3.25Å; Q397-R399 PolarHBondContact O-N 3.41Å |
| 400 | S | 60.7 | Low | 58.3 | Low | 65 Ų | 65 | 119.8 Ų | 119.8 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.5 | -38.8 | 171 | 58.9 | 0 | 0 | 0 | 0 | 112 | Y396 Q397 A402 Q403 | Y396-S400 PolarHBondContact O-N 2.74Å; Y396-S400 PolarHBondContact O-OG 3.43Å; Q397-S400 PolarHBondContact O-N 3.1Å; Q397-S400 PolarHBondContact O-OG 2.85Å; Q397-S400 VanDerWaalsContact O-OG 3.08Å; S400-A402 PolarHBondContact O-N 3.11Å; S400-Q403 PolarHBondContact O-N 3.27Å; S400-Q403 VanDerWaalsContact O-N 3.09Å |
| 401 | A | 53.6 | Low | 56.4 | Low | 67 Ų | 67 | 120.4 Ų | 120.4 | 55% | 0.554 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -58.9 | -34.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q397 Q403 | Q397-A401 WeakPolarHBondContact O-CB 3.36Å; Q397-A401 PolarHBondContact O-N 3.01Å; A401-Q403 PolarHBondContact O-N 3.01Å |
| 402 | A | 52.9 | Low | 54.5 | Low | 78 Ų | 78 | 122.6 Ų | 122.6 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -7.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L398 S400 | L398-A402 PolarHBondContact O-N 3.11Å; S400-A402 PolarHBondContact O-N 3.11Å |
| 403 | Q | 47.7 | Very low | 53.3 | Low | 155 Ų | 155 | 123.6 Ų | 123.6 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 1.1 | -177 | -72.8 | -179.2 | -33.3 | 0 | 0 | 114.6 | S400 A401 | S400-Q403 PolarHBondContact O-N 3.27Å; S400-Q403 VanDerWaalsContact O-N 3.09Å; A401-Q403 PolarHBondContact O-N 3.01Å |
| 404 | Y | 45.9 | Very low | 51.4 | Low | 221 Ų | 221 | 123.4 Ų | 123.4 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -123.7 | 19.2 | -175.1 | -123.5 | -85.3 | 0 | 0 | 0 | 115.8 | ||
| 405 | V | 47.7 | Very low | 49.5 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | trans | -127.3 | 102.4 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 406 | S | 38.7 | Very low | 47.7 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -98.7 | 124.1 | -179.2 | -156.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 407 | P | 51.6 | Low | 45.7 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | trans | -84.2 | 158.2 | 170.2 | 34.1 | -33 | 0 | 0 | 0 | 111.9 | ||||
| 408 | F | 34.6 | Very low | 43.8 | Very low | 213 Ų | 213 | 116 Ų | 116 | 93% | 0.934 | 76% | 0.761 | S | S | * | * | trans | 64.5 | 134.7 | -168.1 | -45.2 | -81.9 | 0 | 0 | 0 | 112.6 | ||||
| 409 | G | 34.7 | Very low | 42.3 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | cis | 173.7 | -173.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 410 | P | 47.8 | Very low | 41.5 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 92% | 0.922 | 77% | 0.774 | S | S | * | * | cis | -116 | -143.8 | 3.5 | 42.4 | -27.5 | 0 | 0 | 0 | 112.2 | ||||
| 411 | A | 34.2 | Very low | 40.2 | Very low | 93 Ų | 93 | 119.3 Ų | 119.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -139.1 | 165.6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 412 | A | 34.5 | Very low | 39.3 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 73.9 | 159.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 413 | P | 46.8 | Very low | 38.3 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | cis | -121.1 | -165.7 | 4.4 | 42.9 | -29 | 0 | 0 | 0 | 115.1 | ||||
| 414 | A | 36.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -75.1 | 155.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 415 | G | 30.1 | Very low | 37.8 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -158 | 151.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 416 | A | 32 | Very low | 37.3 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | trans | -118.7 | 155.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 417 | G | 31.3 | Very low | 37.3 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 105.6 | 105.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 418 | A | 33.2 | Very low | 37.1 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 64.8 | 161 | 132.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 419 | S | 34.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 78.8 | 111.9 | 163 | -142.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 420 | V | 42.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | trans | -63.3 | 144.6 | 149.3 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 421 | F | 34 | Very low | 35.8 | Very low | 187 Ų | 187 | 124.9 Ų | 124.9 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | -178 | 169.5 | 124.2 | -113.1 | -89 | 0 | 0 | 0 | 114.1 | |||||
| 422 | R | 35.7 | Very low | 35.5 | Very low | 231 Ų | 231 | 124.8 Ų | 124.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -60.3 | 160.4 | -173.6 | -59 | 168.2 | 170.3 | -165.9 | -3.8 | 115.3 | ||||
| 423 | G | 30.4 | Very low | 35.4 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 172.1 | 93.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 424 | S | 36.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -110.2 | 140.6 | 162.8 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 425 | P | 48 | Very low | 35 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -121.9 | 172.4 | 156.7 | 36 | -24 | 0 | 0 | 0 | 112.9 | ||||
| 426 | I | 36 | Very low | 35.1 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -132.4 | 128.3 | -165.5 | -71.1 | 172.5 | 0 | 0 | 0 | 110.7 | ||||
| 427 | I | 38.3 | Very low | 35 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 30.8 | 128.1 | 138.2 | -62.6 | 174.4 | 0 | 0 | 0 | 118 | ||||
| 428 | P | 47.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -155.2 | 132.8 | 92.1 | 38.1 | -16.9 | 0 | 0 | 0 | 121.6 | |||||
| 429 | S | 29.8 | Very low | 34.6 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 39.7 | 122.3 | 122.5 | -49 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 430 | R | 30.3 | Very low | 34.2 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | -177 | 139.3 | 111.4 | -94.3 | -175.9 | 101.5 | 106.6 | -0.6 | 108.7 | |||||
| 431 | A | 29 | Very low | 33.8 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | 69.2 | 133.6 | 66.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 432 | A | 29.8 | Very low | 33.9 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | cis | -157.3 | -162.1 | 11.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 433 | E | 30.5 | Very low | 33.6 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | 90.6 | 129.4 | 162.4 | -54.5 | -111.7 | 91.8 | 0 | 0 | 119.2 | ||||
| 434 | E | 33.3 | Very low | 33.6 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -135.3 | 136.5 | 165.6 | -176.3 | -138.9 | 115.1 | 0 | 0 | 107.2 | R436 | E434-R436 PolarHBondContact OE1-N 3.09Š| ||
| 435 | P | 42.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -143.8 | 118.3 | 139.7 | 31.7 | -14 | 0 | 0 | 0 | 115.5 | ||||
| 436 | R | 31.6 | Very low | 33.1 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | 52.4 | 122.2 | 125.7 | -77.2 | -177.3 | 164.6 | 167 | -2.7 | 123.3 | E434 | E434-R436 PolarHBondContact OE1-N 3.09Š| |||
| 437 | I | 30.9 | Very low | 33 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | 89.2 | 102 | 126.3 | -63 | 170 | 0 | 0 | 0 | 120.7 | |||||
| 438 | S | 26.1 | Very low | 33.5 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | 73.9 | 169.9 | 125 | -149.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 439 | I | 28.5 | Very low | 33.2 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 81.2 | 105.9 | 176.3 | -58.4 | 176.8 | 0 | 0 | 0 | 112.5 | ||||
| 440 | Q | 27.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 61.6 | 142.2 | 93 | -84.6 | 174.4 | -87.4 | 0 | 0 | 113.4 | |||||
| 441 | E | 33.2 | Very low | 33.4 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | -160.4 | -168.4 | -5.1 | 46.5 | -160.2 | 167.8 | 0 | 0 | 108.2 | ||||
| 442 | E | 35.6 | Very low | 33.6 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | cis | -162.1 | -178.3 | 21.5 | -149.2 | -78.4 | 107.8 | 0 | 0 | 109.7 | ||||
| 443 | S | 29.4 | Very low | 33.5 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | 82.8 | 132.5 | 153.9 | -97.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 444 | C | 30.8 | Very low | 34 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | cis | 169.2 | 157.2 | -9.8 | -106.5 | 0 | 0 | 0 | 0 | 103 | ||||
| 445 | T | 35 | Very low | 34.6 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -161.4 | 148.3 | 5.5 | 6.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 446 | L | 39.6 | Very low | 34.3 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | trans | 51.9 | 134.6 | 146 | -52.8 | 167.5 | 0 | 0 | 0 | 119.1 | ||||
| 447 | G | 33.6 | Very low | 34.3 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | 120.9 | 175 | 29.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 448 | P | 48.6 | Very low | 34.4 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | cis | -142.1 | 162.7 | -12.7 | 42.2 | -24.9 | 0 | 0 | 0 | 116.6 | ||||
| 449 | K | 41.1 | Very low | 34.6 | Very low | 204 Ų | 204 | 136 Ų | 136 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | 64.2 | 159.8 | 145.8 | -71.8 | 175.3 | 178.6 | -178.2 | 0 | 120.7 | ||||
| 450 | A | 34.5 | Very low | 35 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | cis | -171.7 | 161.6 | -26.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 451 | G | 30.1 | Very low | 35.4 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 112.5 | 142.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 452 | L | 32.8 | Very low | 35.4 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | cis | -176 | 162.2 | -34.5 | -116.5 | 170.7 | 0 | 0 | 0 | 107.7 | ||||
| 453 | Y | 28.5 | Very low | 35.7 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | 83.5 | 133.9 | 157.8 | -143.7 | -113.4 | 0 | 0 | 0 | 120.5 | P455 | Y453-P455 HydrophobicContact CE1-CG 4.36Š| ||
| 454 | S | 40.7 | Very low | 35.9 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -157.9 | 135.2 | 161.1 | 170.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 455 | P | 46.5 | Very low | 36.2 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 44% | 0.442 | 75% | 0.752 | S | S | . | * | -148.1 | 150.8 | 117.7 | 38.4 | -24.2 | 0 | 0 | 0 | 115.3 | Y453 | Y453-P455 HydrophobicContact CE1-CG 4.36Š| |||
| 456 | E | 37 | Very low | 36.6 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 57.7 | -174.9 | 139.3 | -56.5 | -66.3 | 84.8 | 0 | 0 | 121 | ||||
| 457 | E | 31.1 | Very low | 36.7 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | 59.1 | 89.8 | 164.7 | 59.5 | -171 | 86.6 | 0 | 0 | 121 | ||||
| 458 | D | 32.1 | Very low | 37.2 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | -148.4 | 119.5 | 141.6 | -150.2 | -45.8 | 0 | 0 | 0 | 109 | ||||
| 459 | Y | 31.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 74% | 0.737 | 75% | 0.75 | S | S | * | * | trans | -155.9 | 129.3 | -169.8 | -178.5 | -80.7 | 0 | 0 | 0 | 111.4 | ||||
| 460 | E | 35.9 | Very low | 37.4 | Very low | 133 Ų | 133 | 139 Ų | 139 | 62% | 0.621 | 74% | 0.744 | S | S | * | * | trans | 56.8 | 133.8 | -175.3 | -113 | 78.5 | 113.1 | 0 | 0 | 114.9 | ||||
| 461 | E | 36.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | 171.5 | 131.5 | 79.2 | 171.2 | 86.3 | 127.7 | 0 | 0 | 110.4 | |||||
| 462 | R | 33.1 | Very low | 38.9 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 48.1 | 125.5 | 153 | -71.4 | 171.7 | 158.6 | 98 | -3.1 | 125.3 | ||||
| 463 | S | 40.9 | Very low | 39.4 | Very low | 91 Ų | 91 | 143 Ų | 143 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | 89.1 | 127.8 | 118.4 | -77 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 464 | D | 33.6 | Very low | 40.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 35.1 | 116.9 | 124 | -50.3 | -76.7 | 0 | 0 | 0 | 119.6 | |||||
| 465 | S | 37.4 | Very low | 40.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -170.9 | 151.1 | 96.4 | -77.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 466 | A | 44.9 | Very low | 40.2 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -92.6 | 147.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 467 | D | 40.5 | Very low | 40.3 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | trans | -133.2 | 146.2 | 153.4 | -171.7 | -145.5 | 0 | 0 | 0 | 109.6 | R469 | D467-R469 IonicContact OD1-CZ 3.82Å; D467-R469 IonicContact OD1-NE 3.02Å; D467-R469 PolarHBondContact OD1-NE 3.43Å; D467-R469 IonicContact OD1-NH2 3.38Å; D467-R469 PolarHBondContact OD1-NH2 3.39Å | ||
| 468 | S | 43.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -117.5 | 113.5 | -173.6 | -67.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 469 | R | 49.8 | Very low | 41.4 | Very low | 213 Ų | 213 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -121.2 | 89.1 | 175 | -62.9 | -166.1 | -172.6 | -141.3 | -6.4 | 112.6 | D467 | D467-R469 IonicContact OD1-CZ 3.82Å; D467-R469 IonicContact OD1-NE 3.02Å; D467-R469 PolarHBondContact OD1-NE 3.43Å; D467-R469 IonicContact OD1-NH2 3.38Å; D467-R469 PolarHBondContact OD1-NH2 3.39Å | ||
| 470 | I | 44.6 | Very low | 42 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -64.1 | 133.2 | 155.1 | -56.6 | 169.2 | 0 | 0 | 0 | 107.4 | ||||
| 471 | L | 52.8 | Low | 42.4 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -130.4 | 124 | 160.1 | -76.6 | 178.1 | 0 | 0 | 0 | 109.7 | ||||
| 472 | N | 42.9 | Very low | 42.8 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -73.5 | 147 | 168.8 | -71.6 | -32.4 | 0 | 0 | 0 | 109.9 | ||||
| 473 | A | 43.6 | Very low | 43.6 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -144.8 | 93.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 474 | S | 43.5 | Very low | 43.8 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -144.7 | 96.9 | 171.5 | -70.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 475 | T | 48.6 | Very low | 44.7 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 100% | 1.337 | 84% | 0.843 | S | S | * | * | trans | -146.8 | 0 | 166.4 | 53.4 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 475 of 475 residues in 630.3 ms
(Link to these results)