| 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 | 38.1 | Very low | 40.4 | Very low | 241 Ų | 241 | 134.3 Ų | 134.3 | 100% | 1.187 | 83% | 0.826 | S | S | * | * | 0 | 129.4 | 0 | -62.8 | 166.2 | 178.2 | 0 | 0 | 107.4 | |||||
| 2 | S | 39.8 | Very low | 40.3 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | cis | -153.1 | 149.6 | -15.2 | -74.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | N | 34.7 | Very low | 40.8 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -50.8 | 133.1 | 179.8 | -77.3 | 9.3 | 0 | 0 | 0 | 113.6 | ||||
| 4 | T | 40.8 | Very low | 40.5 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | 76.6 | 130.9 | 92.8 | -50.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 5 | T | 39.9 | Very low | 41.2 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -167.8 | 140.4 | 128.9 | -77.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 6 | V | 44.2 | Very low | 41.2 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -91.1 | 139.5 | 174.8 | 175 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | V | 43.3 | Very low | 41 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -125 | 129.1 | 166.4 | -73.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | P | 43.1 | Very low | 40.7 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 158.9 | -176.7 | 34.4 | -35.6 | 0 | 0 | 0 | 112.6 | ||
| 9 | S | 37.9 | Very low | 40.9 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.8 | 173.7 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 10 | T | 41.4 | Very low | 40.6 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69 | 129.7 | 174.4 | 41.4 | 0 | 0 | 0 | 0 | 111 | ||
| 11 | A | 41.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 114.7 Ų | 114.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 134.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 12 | G | 38.2 | Very low | 40.6 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68 | 144.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G14 | G12-G14 PolarHBondContact O-N 3.01Š|
| 13 | P | 47.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 104.8 Ų | 104.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.6 | 171.4 | 27.5 | -32.9 | 0 | 0 | 0 | 109.3 | ||
| 14 | G | 37.3 | Very low | 40.5 | Very low | 59 Ų | 59 | 101.9 Ų | 101.9 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62 | 153.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G12 S16 | G12-G14 PolarHBondContact O-N 3.01Å; G14-S16 PolarHBondContact O-N 3.13Å |
| 15 | P | 50.4 | Low | 40.2 | Very low | 133 Ų | 133 | 99.9 Ų | 99.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136 | 179.4 | 24.5 | -33.8 | 0 | 0 | 0 | 110.6 | G17 | P15-G17 PolarHBondContact O-N 3.29Š|
| 16 | S | 41.4 | Very low | 40.4 | Very low | 115 Ų | 115 | 98 Ų | 98 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 132.1 | -176 | 39.3 | 0 | 0 | 0 | 0 | 111.7 | G14 G18 | G14-S16 PolarHBondContact O-N 3.13Å; S16-G18 PolarHBondContact O-N 3.22Å; S16-G18 VanDerWaalsContact O-N 3.16Å |
| 17 | G | 37.2 | Very low | 40 | Very low | 77 Ų | 77 | 95 Ų | 95 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P15 | P15-G17 PolarHBondContact O-N 3.29Š|
| 18 | G | 35.4 | Very low | 40.1 | Very low | 60 Ų | 60 | 93.3 Ų | 93.3 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 155.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | S16 G20 | S16-G18 PolarHBondContact O-N 3.22Å; S16-G18 VanDerWaalsContact O-N 3.16Å; G18-G20 PolarHBondContact O-N 2.88Å |
| 19 | P | 45.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 90.7 Ų | 90.7 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -63 | 96.9 | 177 | 26.8 | -34 | 0 | 0 | 0 | 109.5 | G21 | P19-G21 PolarHBondContact O-N 3.23Š| ||
| 20 | G | 34.6 | Very low | 41.7 | Very low | 70 Ų | 70 | 86.9 Ų | 86.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -59.7 | 129 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G18 G22 | G18-G20 PolarHBondContact O-N 2.88Å; G20-G22 VanDerWaalsContact C-N 3.34Å; G20-G22 PolarHBondContact O-N 2.83Å | ||
| 21 | G | 42.9 | Very low | 43.6 | Very low | 82 Ų | 82 | 82 Ų | 82 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -62.5 | 93.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P19 G23 | P19-G21 PolarHBondContact O-N 3.23Å; G21-G23 PolarHBondContact O-N 2.77Å | ||
| 22 | G | 34.8 | Very low | 45.8 | Very low | 77 Ų | 77 | 80.9 Ų | 80.9 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | -61.1 | 100.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G20 | G20-G22 VanDerWaalsContact C-N 3.34Å; G20-G22 PolarHBondContact O-N 2.83Å | ||
| 23 | G | 33.9 | Very low | 48.3 | Very low | 68 Ų | 68 | 77.8 Ų | 77.8 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | -58.1 | 151.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | G21 G25 | G21-G23 PolarHBondContact O-N 2.77Å; G23-G25 VanDerWaalsContact C-N 3.25Å; G23-G25 PolarHBondContact O-N 3.01Å | ||
| 24 | G | 40 | Very low | 50.4 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 94% | 0.938 | 64% | 0.642 | S | S | * | * | trans | -63.7 | 79.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G26 | G24-G26 PolarHBondContact O-N 3Š| ||
| 25 | G | 33.7 | Very low | 53 | Low | 70 Ų | 70 | 69.7 Ų | 69.7 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | trans | -73.4 | 116.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G23 G27 | G23-G25 VanDerWaalsContact C-N 3.25Å; G23-G25 PolarHBondContact O-N 3.01Å; G25-G27 PolarHBondContact O-N 2.8Å | ||
| 26 | G | 44.8 | Very low | 55 | Low | 87 Ų | 87 | 63.3 Ų | 63.3 | 90% | 0.897 | 58% | 0.577 | S | S | * | * | trans | -69.3 | 72.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G24 | G24-G26 PolarHBondContact O-N 3Š| ||
| 27 | G | 36.1 | Very low | 57.3 | Low | 65 Ų | 65 | 59.1 Ų | 59.1 | 67% | 0.67 | 55% | 0.546 | S | S | * | . | trans | -72.4 | 123.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G25 G29 | G25-G27 PolarHBondContact O-N 2.8Å; G27-G29 PolarHBondContact O-N 3.18Å | ||
| 28 | G | 45.5 | Very low | 59.9 | Low | 92 Ų | 92 | 58 Ų | 58 | 95% | 0.948 | 52% | 0.522 | S | S | * | . | trans | -74 | 47.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 29 | G | 49.3 | Very low | 62.6 | Low | 63 Ų | 63 | 55.2 Ų | 55.2 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | trans | -84 | 112.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | G27 T31 | G27-G29 PolarHBondContact O-N 3.18Å; G29-T31 PolarHBondContact O-N 3.48Å | ||
| 30 | G | 64.9 | Low | 64.6 | Low | 43 Ų | 43 | 48.7 Ų | 48.7 | 44% | 0.443 | 45% | 0.451 | S | S | . | . | trans | -65.8 | 124.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E32 | G30-E32 PolarHBondContact O-N 2.87Š| ||
| 31 | T | 81.5 | Confident | 67.1 | Low | 38 Ų | 38 | 47.4 Ų | 47.4 | 23% | 0.233 | 43% | 0.43 | C | S | . | . | trans | -77.5 | 112.4 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | G29 V33 A88 P108 | G29-T31 PolarHBondContact O-N 3.48Å; T31-V33 PolarHBondContact O-N 3.46Å; T31-A88 WeakPolarHBondContact O-CB 3.49Å; T31-P108 HydrophobicContact CG2-CB 4.36Å; T31-P108 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 32 | E | 87.9 | Confident | 69.2 | Low | 74 Ų | 74 | 47.9 Ų | 47.9 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -58.2 | -26.2 | 175.1 | -68.9 | 165.7 | -161.9 | 0 | 0 | 113.4 | G30 K81 F82 P85 | G30-E32 PolarHBondContact O-N 2.87Å; E32-K81 HydrophobicContact CB-CG 4.41Å; E32-K81 WeakPolarHBondContact OE2-CE 3.46Å; E32-K81 IonicContact OE2-NZ 2.9Å; E32-K81 PolarHBondContact OE2-NZ 2.88Å; E32-F82 PolarHBondContact O-N 2.82Å; E32-P85 HydrophobicContact CG-CB 4.36Å |
| 33 | V | 90.3 | Very high | 71.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.8 | -178.9 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | T31 V80 K81 Y109 G112 I114 | T31-V33 PolarHBondContact O-N 3.46Å; V33-V80 WeakPolarHBondContact CA-O 2.74Å; V33-K81 HydrophobicContact CG2-CB 4.04Å; V33-K81 HydrophobicContact CG2-CD 4.43Å; V33-K81 HydrophobicContact CG2-CG 4.11Å; V33-Y109 HydrophobicContact CG1-CD1 4.2Å; V33-Y109 PolarHBondContact O-N 3.06Å; V33-G112 VanDerWaalsContact CG2-O 3.28Å; V33-G112 WeakPolarHBondContact CG2-O 3.45Å; V33-I114 HydrophobicContact CG1-CG1 4.31Å |
| 34 | I | 91.7 | Very high | 74.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.1 | 167.6 | 60.4 | 163.3 | 0 | 0 | 0 | 111.6 | V36 F52 F79 V80 F82 A88 A91 V106 | I34-V36 HydrophobicContact CD1-CG2 3.75Å; I34-V36 HydrophobicContact CG1-CG2 4.28Å; I34-F52 HydrophobicContact CD1-CD1 3.93Å; I34-F52 HydrophobicContact CD1-CE1 3.63Å; I34-F52 HydrophobicContact CD1-CZ 4.07Å; I34-F79 WeakPolarHBondContact O-CA 3.32Å; I34-V80 HydrophobicContact CD1-CB 4.11Å; I34-V80 HydrophobicContact CD1-CG2 4.2Å; I34-V80 HydrophobicContact CG1-CB 3.73Å; I34-V80 HydrophobicContact CG1-CG2 4.17Å; I34-V80 PolarHBondContact N-O 2.87Å; I34-V80 PolarHBondContact O-N 3.3Å; I34-F82 HydrophobicContact CD1-CE2 3.7Å; I34-F82 HydrophobicContact CD1-CZ 4.28Å; I34-F82 HydrophobicContact CG1-CE2 3.9Å; I34-F82 HydrophobicContact CG2-CE2 4.41Å; I34-A88 HydrophobicContact CG2-CB 3.77Å; I34-A91 HydrophobicContact CD1-CB 3.78Å; I34-V106 HydrophobicContact CB-CG1 4Å; I34-V106 HydrophobicContact CD1-CG1 3.77Å; I34-V106 HydrophobicContact CG1-CG1 4.47Å; I34-V106 HydrophobicContact CG2-CG1 4.19Å |
| 35 | Q | 91.4 | Very high | 76.7 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.1 | 166.5 | -179.9 | -174.9 | -12.2 | 0 | 0 | 109.1 | T37 V77 F79 V106 V107 Y109 | Q35-T37 HydrophobicContact CG-CG2 3.93Å; Q35-T37 VanDerWaalsContact NE2-CG2 3.26Å; Q35-V77 HydrophobicContact CG-CG1 4.08Å; Q35-F79 HydrophobicContact CB-CD1 4.01Å; Q35-F79 HydrophobicContact CB-CE1 3.67Å; Q35-F79 HydrophobicContact CB-CZ 4.4Å; Q35-F79 HydrophobicContact CG-CD1 4.23Å; Q35-F79 HydrophobicContact CG-CE1 3.58Å; Q35-F79 HydrophobicContact CG-CZ 3.8Å; Q35-V106 WeakPolarHBondContact O-CA 3.33Å; Q35-V107 PolarHBondContact N-O 3.09Å; Q35-V107 PolarHBondContact O-N 2.78Å; Q35-Y109 HydrophobicContact CB-CD2 4.46Å |
| 36 | V | 92.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.1 | 178.5 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | I34 V39 M48 F52 V77 C78 V80 L104 I105 V106 | I34-V36 HydrophobicContact CD1-CG2 3.75Å; I34-V36 HydrophobicContact CG1-CG2 4.28Å; V36-V39 HydrophobicContact CB-CG2 4.36Å; V36-V39 HydrophobicContact CG1-CG2 3.9Å; V36-M48 HydrophobicContact CB-CE 4.35Å; V36-M48 HydrophobicContact CG1-CE 3.99Å; V36-F52 HydrophobicContact CB-CZ 4.46Å; V36-F52 HydrophobicContact CG1-CE2 4.44Å; V36-F52 HydrophobicContact CG1-CZ 4.15Å; V36-F52 HydrophobicContact CG2-CE1 4.37Å; V36-F52 HydrophobicContact CG2-CE2 3.8Å; V36-F52 HydrophobicContact CG2-CZ 3.51Å; V36-V77 CarbonylContact O-C 3.52Å; V36-V77 WeakPolarHBondContact O-CA 3.47Å; V36-C78 HydrophobicContact CB-CB 4.23Å; V36-C78 PolarHBondContact N-O 3.45Å; V36-C78 PolarHBondContact O-N 3.38Å; V36-V80 HydrophobicContact CG2-CG2 4.41Å; V36-L104 HydrophobicContact CG1-CB 4.22Å; V36-L104 HydrophobicContact CG1-CD1 4.41Å; V36-L104 HydrophobicContact CG1-CD2 4.07Å; V36-L104 HydrophobicContact CG1-CG 4.47Å; V36-I105 CarbonylContact C-O 3.37Å; V36-I105 WeakPolarHBondContact CA-O 3.09Å; V36-V106 HydrophobicContact CG1-CG2 4.24Å; V36-V106 HydrophobicContact CG2-CG1 4.49Å; V36-V106 HydrophobicContact CG2-CG2 4.32Å |
| 37 | T | 90.9 | Very high | 81.7 | Confident | 27 Ų | 27 | 43 Ų | 43 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 169.8 | 179 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | Q35 V39 V77 I105 | Q35-T37 HydrophobicContact CG-CG2 3.93Å; Q35-T37 VanDerWaalsContact NE2-CG2 3.26Å; T37-V39 PolarHBondContact O-N 2.97Å; T37-V77 HydrophobicContact CG2-CG1 4.28Å; T37-V77 HydrophobicContact CG2-CG2 4.02Å; T37-I105 PolarHBondContact N-O 2.68Å; T37-I105 PolarHBondContact O-N 2.91Å; T37-I105 VanDerWaalsContact O-N 3.14Å; T37-I105 WeakPolarHBondContact OG1-CB 3.38Å |
| 38 | N | 90.8 | Very high | 84.3 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 28.4 | -175.1 | -165.8 | 44.6 | 0 | 0 | 0 | 114.5 | A103 I105 | N38-A103 PolarHBondContact ND2-O 2.85Å; N38-I105 HydrophobicContact CB-CD1 4.17Å; N38-I105 HydrophobicContact CB-CG1 4.42Å |
| 39 | V | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 142.6 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V36 T37 A43 M48 L63 R76 C78 L104 | V36-V39 HydrophobicContact CB-CG2 4.36Å; V36-V39 HydrophobicContact CG1-CG2 3.9Å; T37-V39 PolarHBondContact O-N 2.97Å; V39-A43 HydrophobicContact CG1-CB 3.99Å; V39-M48 HydrophobicContact CB-CE 4.37Å; V39-M48 HydrophobicContact CG1-CE 3.82Å; V39-M48 HydrophobicContact CG1-CG 4.46Å; V39-M48 HydrophobicContact CG1-SD 3.82Å; V39-M48 HydrophobicContact CG2-CE 3.55Å; V39-L63 HydrophobicContact CG1-CD1 4.41Å; V39-R76 HydrophobicContact CB-CB 3.98Å; V39-R76 WeakPolarHBondContact CB-O 3.13Å; V39-R76 HydrophobicContact CG1-CB 4.31Å; V39-R76 PolarHBondContact N-O 2.54Å; V39-R76 PolarHBondContact O-N 2.87Å; V39-C78 HydrophobicContact CG2-CB 4.23Å; V39-L104 HydrophobicContact CG2-CD2 4.14Å |
| 40 | S | 89.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | trans | -59.5 | 138.5 | 177.2 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | S42 A43 D101 | S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.16Å; S40-S42 PolarHBondContact OG-N 2.8Å; S40-S42 VanDerWaalsContact OG-N 3.09Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-A43 VanDerWaalsContact O-N 3.14Å; S40-D101 WeakPolarHBondContact CB-OD1 3.35Å; S40-D101 PolarHBondContact OG-OD1 3.39Å | ||
| 41 | P | 86.6 | Confident | 89.9 | Confident | 42 Ų | 42 | 41 Ų | 41 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -7.4 | 170.2 | 31.2 | -36.5 | 0 | 0 | 0 | 113.1 | R102 | P41-R102 VanDerWaalsContact CD-NH2 3.33Š|
| 42 | S | 86.9 | Confident | 90.4 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | 2.8 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | S40 | S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.16Å; S40-S42 PolarHBondContact OG-N 2.8Å; S40-S42 VanDerWaalsContact OG-N 3.09Å |
| 43 | A | 88.7 | Confident | 90.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -86.8 | 129.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V39 S40 R76 F99 V100 | V39-A43 HydrophobicContact CG1-CB 3.99Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-A43 VanDerWaalsContact O-N 3.14Å; A43-R76 PolarHBondContact O-NH1 3.24Å; A43-F99 HydrophobicContact CB-CD1 4.1Å; A43-F99 HydrophobicContact CB-CE1 4.02Å; A43-V100 HydrophobicContact CB-CG2 4.06Å | ||
| 44 | S | 89.4 | Confident | 90.6 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | trans | -87.1 | 159.6 | 178.4 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | E46 Q47 M48 D67 | S44-E46 VanDerWaalsContact C-N 3.3Å; S44-E46 PolarHBondContact O-N 2.66Å; S44-Q47 WeakPolarHBondContact O-CB 3.36Å; S44-Q47 PolarHBondContact O-N 3.07Å; S44-Q47 VanDerWaalsContact O-N 3.17Å; S44-Q47 WeakPolarHBondContact OG-CG 3.28Å; S44-Q47 PolarHBondContact OG-N 2.81Å; S44-M48 WeakPolarHBondContact O-CG 3.44Å; S44-M48 PolarHBondContact O-N 2.89Å; S44-M48 VanDerWaalsContact O-N 3.11Å; S44-D67 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 45 | S | 88.6 | Confident | 90.5 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -40.1 | 172.5 | 49.4 | 0 | 0 | 0 | 0 | 113 | M48 R49 D67 | S45-M48 PolarHBondContact O-N 2.87Å; S45-R49 WeakPolarHBondContact O-CG 3.37Å; S45-R49 PolarHBondContact O-N 3.4Å; S45-D67 VanDerWaalsContact CB-OD2 3.27Å; S45-D67 WeakPolarHBondContact CB-OD2 3.48Å; S45-D67 PolarHBondContact N-OD2 2.94Å; S45-D67 PolarHBondContact OG-OD2 3.14Å |
| 46 | E | 90.3 | Very high | 90.5 | Very high | 145 Ų | 145 | 47.7 Ų | 47.7 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 173.9 | -63.8 | -175.1 | 150.2 | 0 | 0 | 113.3 | S44 M48 R49 T50 | S44-E46 VanDerWaalsContact C-N 3.3Å; S44-E46 PolarHBondContact O-N 2.66Å; E46-M48 VanDerWaalsContact C-N 3.31Å; E46-M48 PolarHBondContact O-N 3.37Å; E46-R49 PolarHBondContact O-N 3.4Å; E46-T50 WeakPolarHBondContact O-CB 3.27Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 2.78Å |
| 47 | Q | 91.8 | Very high | 90.5 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 177 | -78.8 | 175 | 7.1 | 0 | 0 | 111.3 | S44 T50 L51 F99 | S44-Q47 WeakPolarHBondContact O-CB 3.36Å; S44-Q47 PolarHBondContact O-N 3.07Å; S44-Q47 VanDerWaalsContact O-N 3.17Å; S44-Q47 WeakPolarHBondContact OG-CG 3.28Å; S44-Q47 PolarHBondContact OG-N 2.81Å; Q47-T50 PolarHBondContact O-N 2.88Å; Q47-L51 WeakPolarHBondContact O-CB 3.31Å; Q47-L51 PolarHBondContact O-N 3.5Å; Q47-F99 HydrophobicContact CB-CE1 3.99Å; Q47-F99 HydrophobicContact CB-CZ 3.88Å |
| 48 | M | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 174.7 | -62.4 | -66.9 | -78.6 | 0 | 0 | 111.6 | V36 V39 S44 S45 E46 T50 L51 F52 L61 C78 F99 | V36-M48 HydrophobicContact CB-CE 4.35Å; V36-M48 HydrophobicContact CG1-CE 3.99Å; V39-M48 HydrophobicContact CB-CE 4.37Å; V39-M48 HydrophobicContact CG1-CE 3.82Å; V39-M48 HydrophobicContact CG1-CG 4.46Å; V39-M48 HydrophobicContact CG1-SD 3.82Å; V39-M48 HydrophobicContact CG2-CE 3.55Å; S44-M48 WeakPolarHBondContact O-CG 3.44Å; S44-M48 PolarHBondContact O-N 2.89Å; S44-M48 VanDerWaalsContact O-N 3.11Å; S45-M48 PolarHBondContact O-N 2.87Å; E46-M48 VanDerWaalsContact C-N 3.31Å; E46-M48 PolarHBondContact O-N 3.37Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.88Å; M48-L51 PolarHBondContact O-N 3.25Å; M48-F52 HydrophobicContact CE-CE2 3.86Å; M48-F52 WeakPolarHBondContact O-CD2 3.34Å; M48-F52 PolarHBondContact O-N 3.4Å; M48-L61 HydrophobicContact CB-CD1 3.99Å; M48-C78 HydrophobicContact CE-CB 3.58Å; M48-F99 HydrophobicContact SD-CD1 4.04Å; M48-F99 HydrophobicContact SD-CE1 3.97Å |
| 49 | R | 91.9 | Very high | 90.6 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 172.5 | -72 | 177.7 | -171.4 | -81.4 | -3.2 | 111.7 | S45 E46 G53 I58 L61 | S45-R49 WeakPolarHBondContact O-CG 3.37Å; S45-R49 PolarHBondContact O-N 3.4Å; E46-R49 PolarHBondContact O-N 3.4Å; R49-G53 WeakPolarHBondContact O-CA 3.26Å; R49-G53 PolarHBondContact O-N 2.78Å; R49-I58 WeakPolarHBondContact O-CD1 3.07Å; R49-L61 HydrophobicContact CB-CD1 4.43Å; R49-L61 HydrophobicContact CG-CB 4.11Å; R49-L61 HydrophobicContact CG-CD1 3.77Å; R49-L61 HydrophobicContact CG-CD2 4.04Å; R49-L61 HydrophobicContact CG-CG 4.2Å; R49-L61 PolarHBondContact NH2-O 3.09Å |
| 50 | T | 92.2 | Very high | 90.6 | Very high | 81 Ų | 81 | 60 Ų | 60 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 178.8 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | E46 Q47 M48 G53 F54 | E46-T50 WeakPolarHBondContact O-CB 3.27Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 2.78Å; Q47-T50 PolarHBondContact O-N 2.88Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.88Å; T50-G53 PolarHBondContact O-N 2.73Å; T50-F54 HydrophobicContact CG2-CE2 3.83Å; T50-F54 HydrophobicContact CG2-CZ 4.01Å; T50-F54 WeakPolarHBondContact O-CD2 3.42Å; T50-F54 WeakPolarHBondContact O-CE2 3.39Å; T50-F54 PolarHBondContact O-N 2.91Å |
| 51 | L | 92.1 | Very high | 90.7 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.131 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | -179.8 | 174.8 | 142.9 | 0 | 0 | 0 | 112.4 | Q47 M48 L94 F99 L104 | Q47-L51 WeakPolarHBondContact O-CB 3.31Å; Q47-L51 PolarHBondContact O-N 3.5Å; M48-L51 PolarHBondContact O-N 3.25Å; L51-L94 HydrophobicContact CD2-CD1 3.76Å; L51-L94 HydrophobicContact CG-CD1 4.49Å; L51-F99 HydrophobicContact CB-CE2 4.3Å; L51-F99 HydrophobicContact CB-CZ 4.37Å; L51-F99 HydrophobicContact CD1-CD2 3.29Å; L51-F99 HydrophobicContact CD1-CE2 3.42Å; L51-F99 VanDerWaalsContact CD1-CE2 3.42Å; L51-F99 HydrophobicContact CD1-CG 3.89Å; L51-F99 HydrophobicContact CD1-CZ 4.1Å; L51-F99 HydrophobicContact CG-CE2 4.49Å; L51-L104 HydrophobicContact CD1-CD1 4.31Å; L51-L104 HydrophobicContact CD2-CD1 4.28Å |
| 52 | F | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.9 | -24.1 | 178.6 | -69.9 | -69 | 0 | 0 | 0 | 112.7 | I34 V36 M48 F54 L55 G56 I58 V80 F82 A91 L94 V106 | I34-F52 HydrophobicContact CD1-CD1 3.93Å; I34-F52 HydrophobicContact CD1-CE1 3.63Å; I34-F52 HydrophobicContact CD1-CZ 4.07Å; V36-F52 HydrophobicContact CB-CZ 4.46Å; V36-F52 HydrophobicContact CG1-CE2 4.44Å; V36-F52 HydrophobicContact CG1-CZ 4.15Å; V36-F52 HydrophobicContact CG2-CE1 4.37Å; V36-F52 HydrophobicContact CG2-CE2 3.8Å; V36-F52 HydrophobicContact CG2-CZ 3.51Å; M48-F52 HydrophobicContact CE-CE2 3.86Å; M48-F52 WeakPolarHBondContact O-CD2 3.34Å; M48-F52 PolarHBondContact O-N 3.4Å; F52-F54 PolarHBondContact O-N 2.93Å; F52-L55 WeakPolarHBondContact O-CB 3.46Å; F52-L55 PolarHBondContact O-N 2.86Å; F52-G56 PolarHBondContact O-N 3.36Å; F52-I58 HydrophobicContact CB-CD1 3.75Å; F52-I58 HydrophobicContact CB-CG1 4.42Å; F52-V80 HydrophobicContact CB-CG1 4.33Å; F52-V80 HydrophobicContact CD2-CG2 3.88Å; F52-V80 HydrophobicContact CE2-CG2 4.23Å; F52-V80 HydrophobicContact CG-CG2 4.32Å; F52-F82 HydrophobicContact CB-CE1 4.15Å; F52-F82 HydrophobicContact CB-CZ 3.9Å; F52-F82 AromaticContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CG-CZ 4.24Å; F52-A91 HydrophobicContact CD1-CB 4.07Å; F52-A91 HydrophobicContact CE1-CB 4.04Å; F52-L94 HydrophobicContact CD1-CD1 4.15Å; F52-L94 HydrophobicContact CE1-CD1 3.8Å; F52-V106 HydrophobicContact CZ-CG2 4.42Å |
| 53 | G | 91.9 | Very high | 90.8 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 44% | 0.443 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -19 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | R49 T50 L55 | R49-G53 WeakPolarHBondContact O-CA 3.26Å; R49-G53 PolarHBondContact O-N 2.78Å; T50-G53 PolarHBondContact O-N 2.73Å; G53-L55 VanDerWaalsContact C-N 3.28Å |
| 54 | F | 90.6 | Very high | 90.6 | Very high | 172 Ų | 172 | 59.3 Ų | 59.3 | 75% | 0.754 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.2 | 169 | -65.5 | -56.4 | 0 | 0 | 0 | 113.9 | T50 F52 | T50-F54 HydrophobicContact CG2-CE2 3.83Å; T50-F54 HydrophobicContact CG2-CZ 4.01Å; T50-F54 WeakPolarHBondContact O-CD2 3.42Å; T50-F54 WeakPolarHBondContact O-CE2 3.39Å; T50-F54 PolarHBondContact O-N 2.91Å; F52-F54 PolarHBondContact O-N 2.93Å |
| 55 | L | 89.9 | Confident | 90.3 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -23.7 | -178.8 | -82 | 68.1 | 0 | 0 | 0 | 113.2 | F52 G53 S87 V90 A91 L94 | F52-L55 WeakPolarHBondContact O-CB 3.46Å; F52-L55 PolarHBondContact O-N 2.86Å; G53-L55 VanDerWaalsContact C-N 3.28Å; L55-S87 PolarHBondContact O-OG 3.31Å; L55-V90 HydrophobicContact CD2-CB 4.5Å; L55-V90 HydrophobicContact CD2-CG1 3.9Å; L55-V90 HydrophobicContact CG-CG1 4.03Å; L55-A91 VanDerWaalsContact CD2-CA 3.43Å; L55-A91 HydrophobicContact CD2-CB 3.81Å; L55-L94 HydrophobicContact CD1-CD1 4Å; L55-L94 HydrophobicContact CD2-CD1 3.58Å; L55-L94 HydrophobicContact CD2-CD2 4.49Å; L55-L94 HydrophobicContact CD2-CG 3.88Å; L55-L94 HydrophobicContact CG-CD1 4.48Å |
| 56 | G | 90 | Very high | 89.7 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 180 | 171.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | F52 I58 S87 | F52-G56 PolarHBondContact O-N 3.36Å; G56-I58 PolarHBondContact O-N 3.04Å; G56-S87 VanDerWaalsContact CA-OG 3.27Å; G56-S87 WeakPolarHBondContact CA-OG 3.43Å |
| 57 | K | 92.9 | Very high | 88.6 | Confident | 141 Ų | 141 | 55.4 Ų | 55.4 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | trans | -69.8 | 127.7 | 169.7 | -65.4 | 170.3 | -173.4 | 163.8 | 0 | 108.9 | F82 H83 | K57-F82 WeakPolarHBondContact O-CA 3.46Å; K57-H83 HydrophobicContact CB-CB 3.81Å; K57-H83 HydrophobicContact CD-CB 4.5Å; K57-H83 PolarHBondContact O-N 3.16Å | ||
| 58 | I | 92.9 | Very high | 87.2 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.205 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.4 | 174 | -60.5 | 174.1 | 0 | 0 | 0 | 107.7 | R49 F52 G56 E60 L61 V80 K81 F82 | R49-I58 WeakPolarHBondContact O-CD1 3.07Å; F52-I58 HydrophobicContact CB-CD1 3.75Å; F52-I58 HydrophobicContact CB-CG1 4.42Å; G56-I58 PolarHBondContact O-N 3.04Å; I58-E60 VanDerWaalsContact CG2-O 3.31Å; I58-E60 WeakPolarHBondContact CG2-O 3.45Å; I58-L61 HydrophobicContact CD1-CD1 4.46Å; I58-L61 HydrophobicContact CG2-CB 4.04Å; I58-V80 HydrophobicContact CB-CG1 4.44Å; I58-V80 HydrophobicContact CD1-CG1 4Å; I58-V80 HydrophobicContact CG1-CG1 3.91Å; I58-V80 HydrophobicContact CG2-CG1 3.78Å; I58-K81 WeakPolarHBondContact CA-O 3.13Å; I58-F82 HydrophobicContact CG1-CD1 4.33Å; I58-F82 HydrophobicContact CG1-CE1 4.16Å |
| 59 | D | 91.4 | Very high | 85.9 | Confident | 87 Ų | 87 | 60.4 Ų | 60.4 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -47.6 | 171 | -74 | -9.3 | 0 | 0 | 0 | 109.9 | K81 H83 | D59-K81 HydrophobicContact CB-CD 4.29Å; D59-K81 HydrophobicContact CB-CG 4.18Å; D59-K81 PolarHBondContact N-O 3.12Å; D59-K81 WeakPolarHBondContact OD2-CE 3.34Å; D59-H83 WeakPolarHBondContact OD1-CB 3.36Å; D59-H83 IonicContact OD1-CG 2.69Å; D59-H83 IonicContact OD1-ND1 2.81Å; D59-H83 PolarHBondContact OD1-ND1 3.13Å; D59-H83 VanDerWaalsContact OD1-ND1 3.09Å; D59-H83 IonicContact OD2-ND1 3.9Å |
| 60 | E | 90.1 | Very high | 84.3 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.8 | -179.5 | -162.9 | 179.6 | -174.4 | 0 | 0 | 111.9 | I58 R62 K81 I114 | I58-E60 VanDerWaalsContact CG2-O 3.31Å; I58-E60 WeakPolarHBondContact CG2-O 3.45Å; E60-R62 IonicContact OE1-CZ 3.16Å; E60-R62 IonicContact OE1-NE 2.74Å; E60-R62 PolarHBondContact OE1-NE 2.97Å; E60-R62 IonicContact OE1-NH2 2.66Å; E60-R62 PolarHBondContact OE1-NH2 3.42Å; E60-R62 IonicContact OE2-NH2 3.67Å; E60-K81 HydrophobicContact CB-CB 4.27Å; E60-K81 PolarHBondContact N-O 2.69Å; E60-K81 PolarHBondContact O-N 3.29Å; E60-I114 HydrophobicContact CB-CD1 3.87Å; E60-I114 HydrophobicContact CG-CD1 3.78Å |
| 61 | L | 90.9 | Very high | 83 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 131.9 | 170.1 | -179 | 152.6 | 0 | 0 | 0 | 109.5 | M48 R49 I58 C78 F79 V80 | M48-L61 HydrophobicContact CB-CD1 3.99Å; R49-L61 HydrophobicContact CB-CD1 4.43Å; R49-L61 HydrophobicContact CG-CB 4.11Å; R49-L61 HydrophobicContact CG-CD1 3.77Å; R49-L61 HydrophobicContact CG-CD2 4.04Å; R49-L61 HydrophobicContact CG-CG 4.2Å; R49-L61 PolarHBondContact NH2-O 3.09Å; I58-L61 HydrophobicContact CD1-CD1 4.46Å; I58-L61 HydrophobicContact CG2-CB 4.04Å; L61-C78 VanDerWaalsContact CG-SG 3.58Å; L61-F79 VanDerWaalsContact CA-O 3.31Å; L61-F79 WeakPolarHBondContact CA-O 3.48Å; L61-V80 HydrophobicContact CB-CG1 4.47Å; L61-V80 HydrophobicContact CD1-CB 4.45Å; L61-V80 HydrophobicContact CD1-CG1 4.14Å; L61-V80 HydrophobicContact CD1-CG2 3.67Å; L61-V80 HydrophobicContact CG-CG2 4.08Å |
| 62 | R | 88 | Confident | 81.6 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.1 | 171.6 | -57.9 | -168.1 | -168.1 | 170.2 | 5.5 | 110.4 | E60 F64 C78 F79 I114 | E60-R62 IonicContact OE1-CZ 3.16Å; E60-R62 IonicContact OE1-NE 2.74Å; E60-R62 PolarHBondContact OE1-NE 2.97Å; E60-R62 IonicContact OE1-NH2 2.66Å; E60-R62 PolarHBondContact OE1-NH2 3.42Å; E60-R62 IonicContact OE2-NH2 3.67Å; R62-F64 HydrophobicContact CB-CD2 4.33Å; R62-F64 HydrophobicContact CB-CE2 3.59Å; R62-F64 HydrophobicContact CB-CZ 3.77Å; R62-F64 HydrophobicContact CG-CZ 4.38Å; R62-C78 CarbonylContact O-C 3.58Å; R62-C78 WeakPolarHBondContact O-CA 3.47Å; R62-C78 PolarHBondContact O-SG 3.09Å; R62-F79 PolarHBondContact N-O 3.26Å; R62-F79 PolarHBondContact O-N 3.36Å; R62-I114 HydrophobicContact CB-CG2 4.15Å; R62-I114 HydrophobicContact CG-CD1 4.26Å; R62-I114 HydrophobicContact CG-CG2 4.01Å |
| 63 | L | 88.9 | Confident | 80.8 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.4 | 178.2 | -174.4 | 75.8 | 0 | 0 | 0 | 108.2 | V39 P65 R76 C78 | V39-L63 HydrophobicContact CG1-CD1 4.41Å; L63-P65 CarbonylContact O-C 3.49Å; L63-R76 HydrophobicContact CD1-CB 4.25Å; L63-C78 HydrophobicContact CD1-CB 3.85Å |
| 64 | F | 85.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 5% | 0.048 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.2 | -176.8 | -64.7 | -63.7 | 0 | 0 | 0 | 111.6 | R62 V77 F79 I114 E117 A120 | R62-F64 HydrophobicContact CB-CD2 4.33Å; R62-F64 HydrophobicContact CB-CE2 3.59Å; R62-F64 HydrophobicContact CB-CZ 3.77Å; R62-F64 HydrophobicContact CG-CZ 4.38Å; F64-V77 PolarHBondContact N-O 3.38Å; F64-V77 PolarHBondContact O-N 2.88Å; F64-F79 AromaticContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CE2 4.27Å; F64-F79 HydrophobicContact CE2-CD2 4.22Å; F64-I114 HydrophobicContact CE2-CG2 4.43Å; F64-E117 HydrophobicContact CD1-CB 4.44Å; F64-E117 HydrophobicContact CD1-CG 4.3Å; F64-E117 HydrophobicContact CE1-CB 4.22Å; F64-E117 HydrophobicContact CE1-CG 3.68Å; F64-E117 HydrophobicContact CZ-CG 4.34Å; F64-A120 HydrophobicContact CB-CB 3.79Å; F64-A120 HydrophobicContact CD1-CB 4.41Å; F64-A120 HydrophobicContact CD2-CB 3.24Å; F64-A120 HydrophobicContact CE2-CB 3.83Å; F64-A120 HydrophobicContact CG-CB 3.56Å |
| 65 | P | 81.2 | Confident | 79.7 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.071 | 36% | 0.364 | C | S | . | . | S | Bend | cis | -67.1 | 162 | -9.7 | -8.2 | 27 | 0 | 0 | 0 | 111 | L63 S69 V73 L121 L124 | L63-P65 CarbonylContact O-C 3.49Å; P65-S69 WeakPolarHBondContact CB-OG 3.42Å; P65-V73 HydrophobicContact CG-CB 4.34Å; P65-V73 HydrophobicContact CG-CG1 3.56Å; P65-V73 HydrophobicContact CG-CG2 3.97Å; P65-L121 HydrophobicContact CG-CD2 4.19Å; P65-L124 HydrophobicContact CG-CD2 4.22Å |
| 66 | P | 76 | Confident | 79.6 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | trans | -63.9 | 160.4 | 179.7 | 25.7 | -34.2 | 0 | 0 | 0 | 112.9 | D68 S69 | P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 3.33Å; P66-S69 WeakPolarHBondContact O-CB 3.32Å; P66-S69 PolarHBondContact O-N 3.47Å; P66-S69 VanDerWaalsContact O-N 3.09Å; P66-S69 PolarHBondContact O-OG 3.31Å | ||
| 67 | D | 68 | Low | 79.5 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -41.1 | -174 | -83.8 | -53.9 | 0 | 0 | 0 | 113.5 | S44 S45 S69 R76 | S44-D67 WeakPolarHBondContact CA-OD1 3.34Å; S45-D67 VanDerWaalsContact CB-OD2 3.27Å; S45-D67 WeakPolarHBondContact CB-OD2 3.48Å; S45-D67 PolarHBondContact N-OD2 2.94Å; S45-D67 PolarHBondContact OG-OD2 3.14Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 PolarHBondContact O-N 3.11Å; D67-R76 PolarHBondContact O-NH2 3.17Å; D67-R76 IonicContact OD1-CZ 3.65Å; D67-R76 IonicContact OD1-NH1 2.64Å; D67-R76 PolarHBondContact OD1-NH1 3.29Å; D67-R76 IonicContact OD1-NH2 3.09Å |
| 68 | D | 62.3 | Low | 79.4 | Confident | 159 Ų | 159 | 56.4 Ų | 56.4 | 85% | 0.85 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5.3 | 179.9 | -67.1 | -73.4 | 0 | 0 | 0 | 115.3 | P66 | P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 3.33Å |
| 69 | S | 64.8 | Low | 79.3 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -66.9 | 126.5 | 179.5 | 58 | 0 | 0 | 0 | 0 | 111.5 | P65 P66 D67 L71 | P65-S69 WeakPolarHBondContact CB-OG 3.42Å; P66-S69 WeakPolarHBondContact O-CB 3.32Å; P66-S69 PolarHBondContact O-N 3.47Å; P66-S69 VanDerWaalsContact O-N 3.09Å; P66-S69 PolarHBondContact O-OG 3.31Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 PolarHBondContact O-N 3.11Å; S69-L71 PolarHBondContact O-N 2.96Å | ||
| 70 | P | 58.8 | Low | 79.3 | Confident | 125 Ų | 125 | 50.3 Ų | 50.3 | 81% | 0.812 | 29% | 0.287 | S | S | * | . | trans | -76.2 | 7.4 | -178.2 | 31.8 | -36.8 | 0 | 0 | 0 | 113.5 | ||||
| 71 | L | 65.4 | Low | 79.4 | Confident | 123 Ų | 123 | 49.3 Ų | 49.3 | 64% | 0.644 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -92 | 120.3 | -176.5 | -64.2 | 178.4 | 0 | 0 | 0 | 110.2 | S69 V73 | S69-L71 PolarHBondContact O-N 2.96Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.16Å |
| 72 | P | 62.4 | Low | 79.5 | Confident | 134 Ų | 134 | 49.1 Ų | 49.1 | 87% | 0.87 | 28% | 0.281 | S | S | * | . | trans | -74.4 | 83.6 | -178.6 | 30.7 | -35.4 | 0 | 0 | 0 | 111.2 | ||||
| 73 | V | 74.9 | Confident | 79.7 | Confident | 42 Ų | 42 | 49.3 Ų | 49.3 | 26% | 0.255 | 29% | 0.286 | S | S | . | . | trans | -77.1 | 142.7 | 174.4 | -71.4 | 0 | 0 | 0 | 0 | 112.5 | P65 L71 S75 R76 | P65-V73 HydrophobicContact CG-CB 4.34Å; P65-V73 HydrophobicContact CG-CG1 3.56Å; P65-V73 HydrophobicContact CG-CG2 3.97Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.16Å; V73-S75 WeakPolarHBondContact CB-O 3.32Å; V73-S75 WeakPolarHBondContact CG2-O 3.25Å; V73-R76 HydrophobicContact CG2-CG 4.12Å | ||
| 74 | S | 77.5 | Confident | 79.8 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -73.8 | -30 | 178 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | R102 | S74-R102 PolarHBondContact O-NH1 3.25Å; S74-R102 PolarHBondContact O-NH2 2.76Å |
| 75 | S | 83.1 | Confident | 80 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | trans | -143.6 | 169 | 179.5 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | V73 R102 L124 | V73-S75 WeakPolarHBondContact CB-O 3.32Å; V73-S75 WeakPolarHBondContact CG2-O 3.25Å; S75-R102 PolarHBondContact OG-NH1 2.82Å; S75-L124 WeakPolarHBondContact O-CD1 3.43Å | ||
| 76 | R | 86.2 | Confident | 80.4 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 160.1 | 168.9 | -66.5 | 176.7 | 171 | 179.6 | -13.6 | 110.9 | V39 A43 L63 D67 V73 | V39-R76 HydrophobicContact CB-CB 3.98Å; V39-R76 WeakPolarHBondContact CB-O 3.13Å; V39-R76 HydrophobicContact CG1-CB 4.31Å; V39-R76 PolarHBondContact N-O 2.54Å; V39-R76 PolarHBondContact O-N 2.87Å; A43-R76 PolarHBondContact O-NH1 3.24Å; L63-R76 HydrophobicContact CD1-CB 4.25Å; D67-R76 PolarHBondContact O-NH2 3.17Å; D67-R76 IonicContact OD1-CZ 3.65Å; D67-R76 IonicContact OD1-NH1 2.64Å; D67-R76 PolarHBondContact OD1-NH1 3.29Å; D67-R76 IonicContact OD1-NH2 3.09Å; V73-R76 HydrophobicContact CG2-CG 4.12Å |
| 77 | V | 88.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141 | 167.5 | 176 | 0 | 0 | 0 | 0 | 108.1 | Q35 V36 T37 F64 F79 L124 | Q35-V77 HydrophobicContact CG-CG1 4.08Å; V36-V77 CarbonylContact O-C 3.52Å; V36-V77 WeakPolarHBondContact O-CA 3.47Å; T37-V77 HydrophobicContact CG2-CG1 4.28Å; T37-V77 HydrophobicContact CG2-CG2 4.02Å; F64-V77 PolarHBondContact N-O 3.38Å; F64-V77 PolarHBondContact O-N 2.88Å; V77-F79 HydrophobicContact CG1-CD2 4.1Å; V77-F79 HydrophobicContact CG1-CE2 3.53Å; V77-F79 HydrophobicContact CG1-CZ 4.01Å; V77-L124 HydrophobicContact CG2-CB 3.75Å; V77-L124 HydrophobicContact CG2-CD1 3.9Å; V77-L124 HydrophobicContact CG2-CG 4.36Å |
| 78 | C | 90.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.9 | 174.6 | -173 | 0 | 0 | 0 | 0 | 109.3 | V36 V39 M48 L61 R62 L63 | V36-C78 HydrophobicContact CB-CB 4.23Å; V36-C78 PolarHBondContact N-O 3.45Å; V36-C78 PolarHBondContact O-N 3.38Å; V39-C78 HydrophobicContact CG2-CB 4.23Å; M48-C78 HydrophobicContact CE-CB 3.58Å; L61-C78 VanDerWaalsContact CG-SG 3.58Å; R62-C78 CarbonylContact O-C 3.58Å; R62-C78 WeakPolarHBondContact O-CA 3.47Å; R62-C78 PolarHBondContact O-SG 3.09Å; L63-C78 HydrophobicContact CD1-CB 3.85Å |
| 79 | F | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.8 | 169.9 | -68.7 | -92 | 0 | 0 | 0 | 108.4 | I34 Q35 L61 R62 F64 V77 Y109 I114 P115 A120 L123 | I34-F79 WeakPolarHBondContact O-CA 3.32Å; Q35-F79 HydrophobicContact CB-CD1 4.01Å; Q35-F79 HydrophobicContact CB-CE1 3.67Å; Q35-F79 HydrophobicContact CB-CZ 4.4Å; Q35-F79 HydrophobicContact CG-CD1 4.23Å; Q35-F79 HydrophobicContact CG-CE1 3.58Å; Q35-F79 HydrophobicContact CG-CZ 3.8Å; L61-F79 VanDerWaalsContact CA-O 3.31Å; L61-F79 WeakPolarHBondContact CA-O 3.48Å; R62-F79 PolarHBondContact N-O 3.26Å; R62-F79 PolarHBondContact O-N 3.36Å; F64-F79 AromaticContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CE2 4.27Å; F64-F79 HydrophobicContact CE2-CD2 4.22Å; V77-F79 HydrophobicContact CG1-CD2 4.1Å; V77-F79 HydrophobicContact CG1-CE2 3.53Å; V77-F79 HydrophobicContact CG1-CZ 4.01Å; F79-Y109 HydrophobicContact CE1-CD1 4.5Å; F79-Y109 HydrophobicContact CE1-CD2 4.17Å; F79-Y109 HydrophobicContact CE1-CE2 4.25Å; F79-Y109 HydrophobicContact CE1-CG 4.31Å; F79-I114 HydrophobicContact CB-CB 4.43Å; F79-I114 HydrophobicContact CB-CD1 4.24Å; F79-I114 HydrophobicContact CB-CG1 4.11Å; F79-I114 HydrophobicContact CB-CG2 3.73Å; F79-I114 HydrophobicContact CG-CG2 4.24Å; F79-P115 HydrophobicContact CD1-CG 3.95Å; F79-P115 HydrophobicContact CD2-CG 4.34Å; F79-P115 HydrophobicContact CE1-CG 3.49Å; F79-P115 VanDerWaalsContact CE1-CG 3.49Å; F79-P115 HydrophobicContact CE2-CG 3.94Å; F79-P115 HydrophobicContact CG-CG 4.35Å; F79-P115 HydrophobicContact CZ-CG 3.49Å; F79-P115 VanDerWaalsContact CZ-CG 3.49Å; F79-A120 HydrophobicContact CD2-CB 4.43Å; F79-A120 HydrophobicContact CE2-CB 3.69Å; F79-L123 HydrophobicContact CZ-CD1 3.94Å |
| 80 | V | 91.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.7 | -179 | -165.3 | 0 | 0 | 0 | 0 | 107.9 | V33 I34 V36 F52 I58 L61 F82 | V33-V80 WeakPolarHBondContact CA-O 2.74Å; I34-V80 HydrophobicContact CD1-CB 4.11Å; I34-V80 HydrophobicContact CD1-CG2 4.2Å; I34-V80 HydrophobicContact CG1-CB 3.73Å; I34-V80 HydrophobicContact CG1-CG2 4.17Å; I34-V80 PolarHBondContact N-O 2.87Å; I34-V80 PolarHBondContact O-N 3.3Å; V36-V80 HydrophobicContact CG2-CG2 4.41Å; F52-V80 HydrophobicContact CB-CG1 4.33Å; F52-V80 HydrophobicContact CD2-CG2 3.88Å; F52-V80 HydrophobicContact CE2-CG2 4.23Å; F52-V80 HydrophobicContact CG-CG2 4.32Å; I58-V80 HydrophobicContact CB-CG1 4.44Å; I58-V80 HydrophobicContact CD1-CG1 4Å; I58-V80 HydrophobicContact CG1-CG1 3.91Å; I58-V80 HydrophobicContact CG2-CG1 3.78Å; L61-V80 HydrophobicContact CB-CG1 4.47Å; L61-V80 HydrophobicContact CD1-CB 4.45Å; L61-V80 HydrophobicContact CD1-CG1 4.14Å; L61-V80 HydrophobicContact CD1-CG2 3.67Å; L61-V80 HydrophobicContact CG-CG2 4.08Å; V80-F82 HydrophobicContact CG1-CE2 4.38Å; V80-F82 HydrophobicContact CG1-CZ 4.3Å |
| 81 | K | 91.9 | Very high | 86.2 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.222 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.4 | 165.2 | 179.7 | 171.9 | 172.8 | 154.2 | 0 | 108.9 | E32 V33 I58 D59 E60 I114 | E32-K81 HydrophobicContact CB-CG 4.41Å; E32-K81 WeakPolarHBondContact OE2-CE 3.46Å; E32-K81 IonicContact OE2-NZ 2.9Å; E32-K81 PolarHBondContact OE2-NZ 2.88Å; V33-K81 HydrophobicContact CG2-CB 4.04Å; V33-K81 HydrophobicContact CG2-CD 4.43Å; V33-K81 HydrophobicContact CG2-CG 4.11Å; I58-K81 WeakPolarHBondContact CA-O 3.13Å; D59-K81 HydrophobicContact CB-CD 4.29Å; D59-K81 HydrophobicContact CB-CG 4.18Å; D59-K81 PolarHBondContact N-O 3.12Å; D59-K81 WeakPolarHBondContact OD2-CE 3.34Å; E60-K81 HydrophobicContact CB-CB 4.27Å; E60-K81 PolarHBondContact N-O 2.69Å; E60-K81 PolarHBondContact O-N 3.29Å; K81-I114 HydrophobicContact CB-CD1 4.49Å |
| 82 | F | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 154.3 | 166.1 | -66.9 | -78.8 | 0 | 0 | 0 | 111.2 | E32 I34 F52 K57 I58 V80 D84 A88 A91 | E32-F82 PolarHBondContact O-N 2.82Å; I34-F82 HydrophobicContact CD1-CE2 3.7Å; I34-F82 HydrophobicContact CD1-CZ 4.28Å; I34-F82 HydrophobicContact CG1-CE2 3.9Å; I34-F82 HydrophobicContact CG2-CE2 4.41Å; F52-F82 HydrophobicContact CB-CE1 4.15Å; F52-F82 HydrophobicContact CB-CZ 3.9Å; F52-F82 AromaticContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CG-CZ 4.24Å; K57-F82 WeakPolarHBondContact O-CA 3.46Å; I58-F82 HydrophobicContact CG1-CD1 4.33Å; I58-F82 HydrophobicContact CG1-CE1 4.16Å; V80-F82 HydrophobicContact CG1-CE2 4.38Å; V80-F82 HydrophobicContact CG1-CZ 4.3Å; F82-D84 WeakPolarHBondContact CB-O 3.43Å; F82-A88 HydrophobicContact CD2-CB 3.92Å; F82-A88 HydrophobicContact CE2-CB 4.46Å; F82-A91 HydrophobicContact CE2-CB 3.77Å; F82-A91 HydrophobicContact CZ-CB 3.89Å |
| 83 | H | 92 | Very high | 88.8 | Confident | 98 Ų | 98 | 45.5 Ų | 45.5 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -68.4 | -39.1 | 167.6 | -164.1 | 74.6 | 0 | 0 | 0 | 111.9 | K57 D59 | K57-H83 HydrophobicContact CB-CB 3.81Å; K57-H83 HydrophobicContact CD-CB 4.5Å; K57-H83 PolarHBondContact O-N 3.16Å; D59-H83 WeakPolarHBondContact OD1-CB 3.36Å; D59-H83 IonicContact OD1-CG 2.69Å; D59-H83 IonicContact OD1-ND1 2.81Å; D59-H83 PolarHBondContact OD1-ND1 3.13Å; D59-H83 VanDerWaalsContact OD1-ND1 3.09Å; D59-H83 IonicContact OD2-ND1 3.9Å |
| 84 | D | 90.5 | Very high | 89.5 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 34% | 0.342 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -110.2 | 123.9 | -173.2 | -53.5 | -73 | 0 | 0 | 0 | 109.6 | F82 D86 S87 | F82-D84 WeakPolarHBondContact CB-O 3.43Å; D84-D86 PolarHBondContact O-N 3.02Å; D84-S87 WeakPolarHBondContact O-CB 3.35Å; D84-S87 PolarHBondContact O-N 2.86Å; D84-S87 VanDerWaalsContact O-N 3.07Å |
| 85 | P | 88.9 | Confident | 90.2 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 31% | 0.312 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -25.4 | -178 | 25.4 | -34.1 | 0 | 0 | 0 | 113.1 | E32 S87 A88 V89 | E32-P85 HydrophobicContact CG-CB 4.36Å; P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 3.14Å; P85-A88 WeakPolarHBondContact O-CB 3.35Å; P85-A88 PolarHBondContact O-N 3.33Å; P85-V89 PolarHBondContact O-N 2.85Å |
| 86 | D | 90.4 | Very high | 90.6 | Very high | 126 Ų | 126 | 48 Ų | 48 | 67% | 0.674 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.8 | -35.8 | 172.9 | -70.3 | -40.6 | 0 | 0 | 0 | 112.1 | D84 A88 V89 V90 | D84-D86 PolarHBondContact O-N 3.02Å; D86-A88 VanDerWaalsContact C-N 3.28Å; D86-A88 PolarHBondContact O-N 2.91Å; D86-V89 PolarHBondContact O-N 3.45Å; D86-V89 VanDerWaalsContact O-N 3.17Å; D86-V90 WeakPolarHBondContact O-CG2 3.35Å; D86-V90 PolarHBondContact O-N 2.99Å |
| 87 | S | 91.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -30.8 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | L55 G56 D84 P85 A91 | L55-S87 PolarHBondContact O-OG 3.31Å; G56-S87 VanDerWaalsContact CA-OG 3.27Å; G56-S87 WeakPolarHBondContact CA-OG 3.43Å; D84-S87 WeakPolarHBondContact O-CB 3.35Å; D84-S87 PolarHBondContact O-N 2.86Å; D84-S87 VanDerWaalsContact O-N 3.07Å; P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 3.14Å; S87-A91 VanDerWaalsContact O-CB 3.25Å; S87-A91 WeakPolarHBondContact O-CB 3.27Å; S87-A91 PolarHBondContact O-N 3.36Å |
| 88 | A | 89 | Confident | 91 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T31 I34 F82 P85 D86 A91 Q92 | T31-A88 WeakPolarHBondContact O-CB 3.49Å; I34-A88 HydrophobicContact CG2-CB 3.77Å; F82-A88 HydrophobicContact CD2-CB 3.92Å; F82-A88 HydrophobicContact CE2-CB 4.46Å; P85-A88 WeakPolarHBondContact O-CB 3.35Å; P85-A88 PolarHBondContact O-N 3.33Å; D86-A88 VanDerWaalsContact C-N 3.28Å; D86-A88 PolarHBondContact O-N 2.91Å; A88-A91 PolarHBondContact O-N 2.69Å; A88-Q92 PolarHBondContact O-N 2.9Å; A88-Q92 VanDerWaalsContact O-N 3.09Å |
| 89 | V | 89.4 | Confident | 91 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | P85 D86 A91 Q92 | P85-V89 PolarHBondContact O-N 2.85Å; D86-V89 PolarHBondContact O-N 3.45Å; D86-V89 VanDerWaalsContact O-N 3.17Å; V89-A91 VanDerWaalsContact C-N 3.28Å; V89-A91 PolarHBondContact O-N 2.92Å; V89-Q92 WeakPolarHBondContact O-CB 3.36Å; V89-Q92 PolarHBondContact O-N 3.17Å; V89-Q92 VanDerWaalsContact O-N 3.16Å |
| 90 | V | 91 | Very high | 90.9 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L55 D86 Q92 H93 | L55-V90 HydrophobicContact CD2-CB 4.5Å; L55-V90 HydrophobicContact CD2-CG1 3.9Å; L55-V90 HydrophobicContact CG-CG1 4.03Å; D86-V90 WeakPolarHBondContact O-CG2 3.35Å; D86-V90 PolarHBondContact O-N 2.99Å; V90-Q92 VanDerWaalsContact C-N 3.29Å; V90-Q92 PolarHBondContact O-N 3.46Å; V90-H93 WeakPolarHBondContact O-CB 3.42Å; V90-H93 PolarHBondContact O-N 2.84Å; V90-H93 VanDerWaalsContact O-N 3.12Å |
| 91 | A | 91.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.7 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I34 F52 L55 F82 S87 A88 V89 H93 L94 | I34-A91 HydrophobicContact CD1-CB 3.78Å; F52-A91 HydrophobicContact CD1-CB 4.07Å; F52-A91 HydrophobicContact CE1-CB 4.04Å; L55-A91 VanDerWaalsContact CD2-CA 3.43Å; L55-A91 HydrophobicContact CD2-CB 3.81Å; F82-A91 HydrophobicContact CE2-CB 3.77Å; F82-A91 HydrophobicContact CZ-CB 3.89Å; S87-A91 VanDerWaalsContact O-CB 3.25Å; S87-A91 WeakPolarHBondContact O-CB 3.27Å; S87-A91 PolarHBondContact O-N 3.36Å; A88-A91 PolarHBondContact O-N 2.69Å; V89-A91 VanDerWaalsContact C-N 3.28Å; V89-A91 PolarHBondContact O-N 2.92Å; A91-H93 PolarHBondContact O-N 2.81Å; A91-L94 WeakPolarHBondContact O-CB 3.41Å; A91-L94 PolarHBondContact O-N 3.42Å |
| 92 | Q | 90.9 | Very high | 90.8 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.1 | -32.5 | 172.2 | -162.7 | -177.8 | 15.9 | 0 | 0 | 112 | A88 V89 V90 L94 T95 | A88-Q92 PolarHBondContact O-N 2.9Å; A88-Q92 VanDerWaalsContact O-N 3.09Å; V89-Q92 WeakPolarHBondContact O-CB 3.36Å; V89-Q92 PolarHBondContact O-N 3.17Å; V89-Q92 VanDerWaalsContact O-N 3.16Å; V90-Q92 VanDerWaalsContact C-N 3.29Å; V90-Q92 PolarHBondContact O-N 3.46Å; Q92-L94 PolarHBondContact O-N 3.07Å; Q92-T95 VanDerWaalsContact O-CB 3.26Å; Q92-T95 WeakPolarHBondContact O-CB 2.98Å; Q92-T95 PolarHBondContact O-N 3.26Å; Q92-T95 VanDerWaalsContact O-N 3.07Å; Q92-T95 PolarHBondContact O-OG1 3.38Å |
| 93 | H | 90.8 | Very high | 90.8 | Very high | 145 Ų | 145 | 67 Ų | 67 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.9 | 175.6 | -58.2 | -35.8 | 0 | 0 | 0 | 114 | V90 A91 T95 | V90-H93 WeakPolarHBondContact O-CB 3.42Å; V90-H93 PolarHBondContact O-N 2.84Å; V90-H93 VanDerWaalsContact O-N 3.12Å; A91-H93 PolarHBondContact O-N 2.81Å; H93-T95 PolarHBondContact O-N 2.91Å |
| 94 | L | 91.3 | Very high | 90.9 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -3.5 | 170.4 | -58.9 | -173.3 | 0 | 0 | 0 | 113.1 | L51 F52 L55 A91 Q92 N96 T97 V106 | L51-L94 HydrophobicContact CD2-CD1 3.76Å; L51-L94 HydrophobicContact CG-CD1 4.49Å; F52-L94 HydrophobicContact CD1-CD1 4.15Å; F52-L94 HydrophobicContact CE1-CD1 3.8Å; L55-L94 HydrophobicContact CD1-CD1 4Å; L55-L94 HydrophobicContact CD2-CD1 3.58Å; L55-L94 HydrophobicContact CD2-CD2 4.49Å; L55-L94 HydrophobicContact CD2-CG 3.88Å; L55-L94 HydrophobicContact CG-CD1 4.48Å; A91-L94 WeakPolarHBondContact O-CB 3.41Å; A91-L94 PolarHBondContact O-N 3.42Å; Q92-L94 PolarHBondContact O-N 3.07Å; L94-N96 PolarHBondContact O-N 3.17Å; L94-T97 WeakPolarHBondContact CA-OG1 3.39Å; L94-T97 WeakPolarHBondContact O-CB 3.27Å; L94-T97 PolarHBondContact O-N 3.32Å; L94-T97 PolarHBondContact O-OG1 3.2Å; L94-V106 HydrophobicContact CB-CG2 4.37Å |
| 95 | T | 92.1 | Very high | 91 | Very high | 44 Ų | 44 | 62.7 Ų | 62.7 | 27% | 0.27 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 131.1 | 171.1 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | Q92 H93 T97 V106 | Q92-T95 VanDerWaalsContact O-CB 3.26Å; Q92-T95 WeakPolarHBondContact O-CB 2.98Å; Q92-T95 PolarHBondContact O-N 3.26Å; Q92-T95 VanDerWaalsContact O-N 3.07Å; Q92-T95 PolarHBondContact O-OG1 3.38Å; H93-T95 PolarHBondContact O-N 2.91Å; T95-T97 VanDerWaalsContact C-N 3.29Å; T95-V106 PolarHBondContact OG1-N 2.71Å; T95-V106 VanDerWaalsContact OG1-N 3.13Å; T95-V106 PolarHBondContact OG1-O 3.31Å |
| 96 | N | 91.3 | Very high | 91.1 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 3.1 | -168.1 | -48.5 | -69.5 | 0 | 0 | 0 | 116.3 | L94 V98 L104 | L94-N96 PolarHBondContact O-N 3.17Å; N96-V98 PolarHBondContact O-N 3.25Å; N96-L104 PolarHBondContact N-O 2.81Å |
| 97 | T | 91.6 | Very high | 91.1 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | trans | -70.4 | 128.2 | 171.6 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | L94 T95 F99 A103 L104 | L94-T97 WeakPolarHBondContact CA-OG1 3.39Å; L94-T97 WeakPolarHBondContact O-CB 3.27Å; L94-T97 PolarHBondContact O-N 3.32Å; L94-T97 PolarHBondContact O-OG1 3.2Å; T95-T97 VanDerWaalsContact C-N 3.29Å; T97-F99 PolarHBondContact O-N 2.87Å; T97-A103 WeakPolarHBondContact O-CA 3.08Å; T97-L104 PolarHBondContact O-N 3.38Å | ||
| 98 | V | 91.9 | Very high | 91 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 62% | 0.618 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.4 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | N96 R102 | N96-V98 PolarHBondContact O-N 3.25Å; V98-R102 CarbonylContact C-O 3.56Å; V98-R102 WeakPolarHBondContact CA-O 3.39Å |
| 99 | F | 89.8 | Confident | 90.9 | Very high | 43 Ų | 43 | 61.1 Ų | 61.1 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.3 | 173.1 | -162 | -117.7 | 0 | 0 | 0 | 110.5 | A43 Q47 M48 L51 T97 D101 R102 L104 | A43-F99 HydrophobicContact CB-CD1 4.1Å; A43-F99 HydrophobicContact CB-CE1 4.02Å; Q47-F99 HydrophobicContact CB-CE1 3.99Å; Q47-F99 HydrophobicContact CB-CZ 3.88Å; M48-F99 HydrophobicContact SD-CD1 4.04Å; M48-F99 HydrophobicContact SD-CE1 3.97Å; L51-F99 HydrophobicContact CB-CE2 4.3Å; L51-F99 HydrophobicContact CB-CZ 4.37Å; L51-F99 HydrophobicContact CD1-CD2 3.29Å; L51-F99 HydrophobicContact CD1-CE2 3.42Å; L51-F99 VanDerWaalsContact CD1-CE2 3.42Å; L51-F99 HydrophobicContact CD1-CG 3.89Å; L51-F99 HydrophobicContact CD1-CZ 4.1Å; L51-F99 HydrophobicContact CG-CE2 4.49Å; T97-F99 PolarHBondContact O-N 2.87Å; F99-D101 PolarHBondContact O-N 3.44Å; F99-R102 PolarHBondContact N-O 3.28Å; F99-R102 PolarHBondContact O-N 2.79Å; F99-L104 HydrophobicContact CB-CD1 3.94Å; F99-L104 HydrophobicContact CB-CD2 4.09Å; F99-L104 HydrophobicContact CB-CG 3.91Å |
| 100 | V | 89.9 | Confident | 90.2 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | -89.6 | -169 | -172.1 | 0 | 0 | 0 | 0 | 112 | A43 | A43-V100 HydrophobicContact CB-CG2 4.06Š|
| 101 | D | 92.1 | Very high | 89.3 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -4.1 | 179.3 | 62.9 | -59.4 | 0 | 0 | 0 | 113.9 | S40 F99 | S40-D101 WeakPolarHBondContact CB-OD1 3.35Å; S40-D101 PolarHBondContact OG-OD1 3.39Å; F99-D101 PolarHBondContact O-N 3.44Å |
| 102 | R | 89.4 | Confident | 88.1 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 21% | 0.208 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.4 | -165.7 | -52.4 | -163.6 | -177.5 | -176.8 | 7.1 | 115.6 | P41 S74 S75 V98 F99 L104 | P41-R102 VanDerWaalsContact CD-NH2 3.33Å; S74-R102 PolarHBondContact O-NH1 3.25Å; S74-R102 PolarHBondContact O-NH2 2.76Å; S75-R102 PolarHBondContact OG-NH1 2.82Å; V98-R102 CarbonylContact C-O 3.56Å; V98-R102 WeakPolarHBondContact CA-O 3.39Å; F99-R102 PolarHBondContact N-O 3.28Å; F99-R102 PolarHBondContact O-N 2.79Å; R102-L104 PolarHBondContact O-N 2.85Å |
| 103 | A | 92.8 | Very high | 87.4 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 118.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N38 T97 | N38-A103 PolarHBondContact ND2-O 2.85Å; T97-A103 WeakPolarHBondContact O-CA 3.08Å |
| 104 | L | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -69.4 | 147.2 | 173.1 | -61.5 | -179.4 | 0 | 0 | 0 | 110.9 | V36 V39 L51 N96 T97 F99 R102 | V36-L104 HydrophobicContact CG1-CB 4.22Å; V36-L104 HydrophobicContact CG1-CD1 4.41Å; V36-L104 HydrophobicContact CG1-CD2 4.07Å; V36-L104 HydrophobicContact CG1-CG 4.47Å; V39-L104 HydrophobicContact CG2-CD2 4.14Å; L51-L104 HydrophobicContact CD1-CD1 4.31Å; L51-L104 HydrophobicContact CD2-CD1 4.28Å; N96-L104 PolarHBondContact N-O 2.81Å; T97-L104 PolarHBondContact O-N 3.38Å; F99-L104 HydrophobicContact CB-CD1 3.94Å; F99-L104 HydrophobicContact CB-CD2 4.09Å; F99-L104 HydrophobicContact CB-CG 3.91Å; R102-L104 PolarHBondContact O-N 2.85Å | ||
| 105 | I | 92.3 | Very high | 85.8 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 36% | 0.359 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.4 | 174.1 | -59 | 173.2 | 0 | 0 | 0 | 107.7 | V36 T37 N38 V107 | V36-I105 CarbonylContact C-O 3.37Å; V36-I105 WeakPolarHBondContact CA-O 3.09Å; T37-I105 PolarHBondContact N-O 2.68Å; T37-I105 PolarHBondContact O-N 2.91Å; T37-I105 VanDerWaalsContact O-N 3.14Å; T37-I105 WeakPolarHBondContact OG1-CB 3.38Å; N38-I105 HydrophobicContact CB-CD1 4.17Å; N38-I105 HydrophobicContact CB-CG1 4.42Å; I105-V107 HydrophobicContact CG2-CG2 4.31Å |
| 106 | V | 92.3 | Very high | 85 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.8 | -175.4 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | I34 Q35 V36 F52 L94 T95 | I34-V106 HydrophobicContact CB-CG1 4Å; I34-V106 HydrophobicContact CD1-CG1 3.77Å; I34-V106 HydrophobicContact CG1-CG1 4.47Å; I34-V106 HydrophobicContact CG2-CG1 4.19Å; Q35-V106 WeakPolarHBondContact O-CA 3.33Å; V36-V106 HydrophobicContact CG1-CG2 4.24Å; V36-V106 HydrophobicContact CG2-CG1 4.49Å; V36-V106 HydrophobicContact CG2-CG2 4.32Å; F52-V106 HydrophobicContact CZ-CG2 4.42Å; L94-V106 HydrophobicContact CB-CG2 4.37Å; T95-V106 PolarHBondContact OG1-N 2.71Å; T95-V106 VanDerWaalsContact OG1-N 3.13Å; T95-V106 PolarHBondContact OG1-O 3.31Å |
| 107 | V | 90.3 | Very high | 83.9 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.4 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 109 | Q35 I105 | Q35-V107 PolarHBondContact N-O 3.09Å; Q35-V107 PolarHBondContact O-N 2.78Å; I105-V107 HydrophobicContact CG2-CG2 4.31Å |
| 108 | P | 89 | Confident | 82.7 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 134.1 | 172.9 | 24.7 | -32.8 | 0 | 0 | 0 | 111.1 | T31 | T31-P108 HydrophobicContact CG2-CB 4.36Å; T31-P108 WeakPolarHBondContact OG1-CB 3.42Å |
| 109 | Y | 85.7 | Confident | 81.5 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | trans | -104.6 | 104.2 | -176.3 | -163.7 | -113.2 | 0 | 0 | 0 | 111.3 | V33 Q35 F79 E111 G112 V113 P115 L123 | V33-Y109 HydrophobicContact CG1-CD1 4.2Å; V33-Y109 PolarHBondContact O-N 3.06Å; Q35-Y109 HydrophobicContact CB-CD2 4.46Å; F79-Y109 HydrophobicContact CE1-CD1 4.5Å; F79-Y109 HydrophobicContact CE1-CD2 4.17Å; F79-Y109 HydrophobicContact CE1-CE2 4.25Å; F79-Y109 HydrophobicContact CE1-CG 4.31Å; Y109-E111 HydrophobicContact CD1-CB 3.85Å; Y109-E111 HydrophobicContact CE1-CB 3.34Å; Y109-E111 HydrophobicContact CE1-CG 4.43Å; Y109-E111 PolarHBondContact O-N 3.01Å; Y109-E111 VanDerWaalsContact O-N 3.17Å; Y109-E111 PolarHBondContact OH-OE2 3.22Å; Y109-G112 PolarHBondContact O-N 3Å; Y109-V113 WeakPolarHBondContact CE1-O 3.34Å; Y109-P115 HydrophobicContact CE1-CB 4.18Å; Y109-P115 HydrophobicContact CE1-CG 3.83Å; Y109-L123 HydrophobicContact CE2-CD1 4.34Å | ||
| 110 | A | 76 | Confident | 80.5 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 79% | 0.793 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G112 | A110-G112 VanDerWaalsContact C-N 3.25Å; A110-G112 PolarHBondContact O-N 3.35Å |
| 111 | E | 71.1 | Confident | 79.7 | Confident | 101 Ų | 101 | 59 Ų | 59 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.3 | 178.4 | -136.1 | 175.9 | -126.4 | 0 | 0 | 112.8 | Y109 V113 K119 | Y109-E111 HydrophobicContact CD1-CB 3.85Å; Y109-E111 HydrophobicContact CE1-CB 3.34Å; Y109-E111 HydrophobicContact CE1-CG 4.43Å; Y109-E111 PolarHBondContact O-N 3.01Å; Y109-E111 VanDerWaalsContact O-N 3.17Å; Y109-E111 PolarHBondContact OH-OE2 3.22Å; E111-V113 PolarHBondContact O-N 3.13Å; E111-K119 IonicContact OE1-NZ 2.7Å; E111-K119 PolarHBondContact OE1-NZ 3.04Å; E111-K119 IonicContact OE2-NZ 2.68Å; E111-K119 PolarHBondContact OE2-NZ 2.87Å |
| 112 | G | 66.4 | Low | 78.5 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 68.5 | -9.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | V33 Y109 A110 | V33-G112 VanDerWaalsContact CG2-O 3.28Å; V33-G112 WeakPolarHBondContact CG2-O 3.45Å; Y109-G112 PolarHBondContact O-N 3Å; A110-G112 VanDerWaalsContact C-N 3.25Å; A110-G112 PolarHBondContact O-N 3.35Å |
| 113 | V | 75.8 | Confident | 77.5 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 61% | 0.606 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -127.1 | 150.1 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | Y109 E111 | Y109-V113 WeakPolarHBondContact CE1-O 3.34Å; E111-V113 PolarHBondContact O-N 3.13Å |
| 114 | I | 76.9 | Confident | 76.1 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.046 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 123.7 | 175.4 | -63.9 | -174.7 | 0 | 0 | 0 | 109.2 | V33 E60 R62 F64 F79 K81 | V33-I114 HydrophobicContact CG1-CG1 4.31Å; E60-I114 HydrophobicContact CB-CD1 3.87Å; E60-I114 HydrophobicContact CG-CD1 3.78Å; R62-I114 HydrophobicContact CB-CG2 4.15Å; R62-I114 HydrophobicContact CG-CD1 4.26Å; R62-I114 HydrophobicContact CG-CG2 4.01Å; F64-I114 HydrophobicContact CE2-CG2 4.43Å; F79-I114 HydrophobicContact CB-CB 4.43Å; F79-I114 HydrophobicContact CB-CD1 4.24Å; F79-I114 HydrophobicContact CB-CG1 4.11Å; F79-I114 HydrophobicContact CB-CG2 3.73Å; F79-I114 HydrophobicContact CG-CG2 4.24Å; K81-I114 HydrophobicContact CB-CD1 4.49Å |
| 115 | P | 72.7 | Confident | 74.2 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.032 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 152.2 | -174.7 | 32.4 | -36.7 | 0 | 0 | 0 | 112.7 | F79 Y109 K119 | F79-P115 HydrophobicContact CD1-CG 3.95Å; F79-P115 HydrophobicContact CD2-CG 4.34Å; F79-P115 HydrophobicContact CE1-CG 3.49Å; F79-P115 VanDerWaalsContact CE1-CG 3.49Å; F79-P115 HydrophobicContact CE2-CG 3.94Å; F79-P115 HydrophobicContact CG-CG 4.35Å; F79-P115 HydrophobicContact CZ-CG 3.49Å; F79-P115 VanDerWaalsContact CZ-CG 3.49Å; Y109-P115 HydrophobicContact CE1-CB 4.18Å; Y109-P115 HydrophobicContact CE1-CG 3.83Å; P115-K119 HydrophobicContact CB-CB 3.78Å; P115-K119 HydrophobicContact CB-CD 3.67Å; P115-K119 HydrophobicContact CB-CG 4.39Å |
| 116 | D | 74.8 | Confident | 71.9 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 160.3 | 179 | -68.6 | -45.7 | 0 | 0 | 0 | 113.8 | A118 K119 A120 | D116-A118 PolarHBondContact O-N 3.44Å; D116-K119 WeakPolarHBondContact O-CA 3.41Å; D116-K119 WeakPolarHBondContact O-CB 3.2Å; D116-K119 PolarHBondContact O-N 2.89Å; D116-A120 PolarHBondContact O-N 3.46Å |
| 117 | E | 69 | Low | 69.7 | Low | 114 Ų | 114 | 65.4 Ų | 65.4 | 53% | 0.533 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.3 | -38.7 | -171.8 | -45.1 | -154.3 | 129.1 | 0 | 0 | 113.2 | F64 A120 L121 | F64-E117 HydrophobicContact CD1-CB 4.44Å; F64-E117 HydrophobicContact CD1-CG 4.3Å; F64-E117 HydrophobicContact CE1-CB 4.22Å; F64-E117 HydrophobicContact CE1-CG 3.68Å; F64-E117 HydrophobicContact CZ-CG 4.34Å; E117-A120 PolarHBondContact O-N 3.19Å; E117-L121 VanDerWaalsContact O-CB 3.27Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CD1 3.43Å; E117-L121 WeakPolarHBondContact O-CG 3.34Å; E117-L121 PolarHBondContact O-N 3.17Å |
| 118 | A | 65.7 | Low | 67.6 | Low | 81 Ų | 81 | 70 Ų | 70 | 67% | 0.669 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.2 | -37.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D116 S122 | D116-A118 PolarHBondContact O-N 3.44Å; A118-S122 PolarHBondContact O-N 3.45Å; A118-S122 PolarHBondContact O-OG 2.88Å |
| 119 | K | 66.8 | Low | 65.3 | Low | 89 Ų | 89 | 70.8 Ų | 70.8 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 171.7 | -77.9 | -172.2 | -176.8 | -174.6 | 0 | 110.7 | E111 P115 D116 S122 L123 | E111-K119 IonicContact OE1-NZ 2.7Å; E111-K119 PolarHBondContact OE1-NZ 3.04Å; E111-K119 IonicContact OE2-NZ 2.68Å; E111-K119 PolarHBondContact OE2-NZ 2.87Å; P115-K119 HydrophobicContact CB-CB 3.78Å; P115-K119 HydrophobicContact CB-CD 3.67Å; P115-K119 HydrophobicContact CB-CG 4.39Å; D116-K119 WeakPolarHBondContact O-CA 3.41Å; D116-K119 WeakPolarHBondContact O-CB 3.2Å; D116-K119 PolarHBondContact O-N 2.89Å; K119-S122 PolarHBondContact O-OG 3.32Å; K119-L123 WeakPolarHBondContact O-CB 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.3Å; K119-L123 PolarHBondContact O-N 3.35Å |
| 120 | A | 69.1 | Low | 63.3 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F64 F79 D116 E117 L123 L124 | F64-A120 HydrophobicContact CB-CB 3.79Å; F64-A120 HydrophobicContact CD1-CB 4.41Å; F64-A120 HydrophobicContact CD2-CB 3.24Å; F64-A120 HydrophobicContact CE2-CB 3.83Å; F64-A120 HydrophobicContact CG-CB 3.56Å; F79-A120 HydrophobicContact CD2-CB 4.43Å; F79-A120 HydrophobicContact CE2-CB 3.69Å; D116-A120 PolarHBondContact O-N 3.46Å; E117-A120 PolarHBondContact O-N 3.19Å; A120-L123 PolarHBondContact O-N 3.41Å; A120-L124 PolarHBondContact O-N 3.24Å; A120-L124 VanDerWaalsContact O-N 3.07Å |
| 121 | L | 72.3 | Confident | 61.6 | Low | 85 Ų | 85 | 73.8 Ų | 73.8 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72 | -35.4 | 178.1 | -74 | 167 | 0 | 0 | 0 | 112.7 | P65 E117 L123 L124 A125 | P65-L121 HydrophobicContact CG-CD2 4.19Å; E117-L121 VanDerWaalsContact O-CB 3.27Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CD1 3.43Å; E117-L121 WeakPolarHBondContact O-CG 3.34Å; E117-L121 PolarHBondContact O-N 3.17Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L124 HydrophobicContact CD2-CD2 4.21Å; L121-L124 WeakPolarHBondContact O-CB 3.4Å; L121-L124 PolarHBondContact O-N 3.48Å; L121-L124 VanDerWaalsContact O-N 3.17Å; L121-A125 PolarHBondContact O-N 3.29Å |
| 122 | S | 66.3 | Low | 60.2 | Low | 81 Ų | 81 | 72.1 Ų | 72.1 | 57% | 0.566 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.8 | -34.1 | 173 | 67 | 0 | 0 | 0 | 0 | 111.9 | A118 K119 L124 A125 | A118-S122 PolarHBondContact O-N 3.45Å; A118-S122 PolarHBondContact O-OG 2.88Å; K119-S122 PolarHBondContact O-OG 3.32Å; S122-L124 VanDerWaalsContact C-N 3.28Å; S122-L124 PolarHBondContact O-N 2.89Å; S122-A125 WeakPolarHBondContact O-CB 3.4Å; S122-A125 PolarHBondContact O-N 2.87Å |
| 123 | L | 69.1 | Low | 59 | Low | 70 Ų | 70 | 78 Ų | 78 | 37% | 0.366 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.6 | 171.5 | -69.7 | 169.1 | 0 | 0 | 0 | 114.3 | F79 Y109 K119 A120 L121 | F79-L123 HydrophobicContact CZ-CD1 3.94Å; Y109-L123 HydrophobicContact CE2-CD1 4.34Å; K119-L123 WeakPolarHBondContact O-CB 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.3Å; K119-L123 PolarHBondContact O-N 3.35Å; A120-L123 PolarHBondContact O-N 3.41Å; L121-L123 VanDerWaalsContact C-N 3.31Å |
| 124 | L | 63.7 | Low | 57.4 | Low | 29 Ų | 29 | 80 Ų | 80 | 15% | 0.152 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.5 | 169.7 | 175.5 | 57.9 | 0 | 0 | 0 | 112.6 | P65 S75 V77 A120 L121 S122 | P65-L124 HydrophobicContact CG-CD2 4.22Å; S75-L124 WeakPolarHBondContact O-CD1 3.43Å; V77-L124 HydrophobicContact CG2-CB 3.75Å; V77-L124 HydrophobicContact CG2-CD1 3.9Å; V77-L124 HydrophobicContact CG2-CG 4.36Å; A120-L124 PolarHBondContact O-N 3.24Å; A120-L124 VanDerWaalsContact O-N 3.07Å; L121-L124 HydrophobicContact CD2-CD2 4.21Å; L121-L124 WeakPolarHBondContact O-CB 3.4Å; L121-L124 PolarHBondContact O-N 3.48Å; L121-L124 VanDerWaalsContact O-N 3.17Å; S122-L124 VanDerWaalsContact C-N 3.28Å; S122-L124 PolarHBondContact O-N 2.89Å |
| 125 | A | 53.8 | Low | 55.9 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -53.6 | 133 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | L121 S122 A127 | L121-A125 PolarHBondContact O-N 3.29Å; S122-A125 WeakPolarHBondContact O-CB 3.4Å; S122-A125 PolarHBondContact O-N 2.87Å; A125-A127 PolarHBondContact O-N 2.87Å |
| 126 | P | 43.8 | Very low | 54.9 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | trans | -62.4 | 124.2 | -167.1 | 22.8 | -33.4 | 0 | 0 | 0 | 111.7 | N128 A129 | P126-N128 PolarHBondContact O-N 2.86Å; P126-A129 PolarHBondContact O-N 3.44Å | ||
| 127 | A | 46 | Very low | 53.3 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -55.9 | -14 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A125 A129 V130 A131 | A125-A127 PolarHBondContact O-N 2.87Å; A127-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact O-N 3.17Å; A127-V130 PolarHBondContact O-N 3.36Å; A127-A131 PolarHBondContact O-N 3.38Å |
| 128 | N | 44.9 | Very low | 52.1 | Low | 162 Ų | 162 | 85.6 Ų | 85.6 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -54.6 | -26 | 168.4 | -67.9 | 14.7 | 0 | 0 | 0 | 113.5 | P126 | P126-N128 PolarHBondContact O-N 2.86Š|
| 129 | A | 41.9 | Very low | 50.7 | Low | 76 Ų | 76 | 89.8 Ų | 89.8 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -85.7 | -23.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P126 A127 | P126-A129 PolarHBondContact O-N 3.44Å; A127-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact O-N 3.17Å |
| 130 | V | 43.8 | Very low | 49.4 | Very low | 95 Ų | 95 | 93.2 Ų | 93.2 | 58% | 0.576 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -4.7 | -169.4 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | A127 G132 | A127-V130 PolarHBondContact O-N 3.36Å; V130-G132 VanDerWaalsContact C-N 3.25Å; V130-G132 PolarHBondContact O-N 3.18Å |
| 131 | A | 39.6 | Very low | 48.2 | Very low | 94 Ų | 94 | 99.1 Ų | 99.1 | 78% | 0.777 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -7.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A127 | A127-A131 PolarHBondContact O-N 3.38Š|
| 132 | G | 41 | Very low | 46.9 | Very low | 66 Ų | 66 | 101.1 Ų | 101.1 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -117.2 | -3.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117 | V130 | V130-G132 VanDerWaalsContact C-N 3.25Å; V130-G132 PolarHBondContact O-N 3.18Å |
| 133 | L | 41.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 103 Ų | 103 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | trans | -116.6 | 28.8 | -172.6 | -146.5 | 73.4 | 0 | 0 | 0 | 114.2 | ||||
| 134 | L | 42.2 | Very low | 44 | Very low | 142 Ų | 142 | 107.3 Ų | 107.3 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -94.5 | 114.8 | 166.4 | -73.3 | 171.8 | 0 | 0 | 0 | 109.7 | G136 | L134-G136 PolarHBondContact O-N 3.41Š| ||
| 135 | P | 44.8 | Very low | 43.1 | Very low | 137 Ų | 137 | 111 Ų | 111 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 100.7 | 177.5 | 28.6 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 136 | G | 53.1 | Low | 42.3 | Very low | 82 Ų | 82 | 116.2 Ų | 116.2 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.9 | 3.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | L134 | L134-G136 PolarHBondContact O-N 3.41Š|
| 137 | G | 41.7 | Very low | 41.9 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | -85.9 | 110.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L139 | G137-L139 PolarHBondContact O-N 2.86Š| ||
| 138 | G | 42.8 | Very low | 41.4 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -56.4 | 131.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 139 | L | 37.4 | Very low | 41.1 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -71.9 | 130.7 | -179.5 | -69 | 169.5 | 0 | 0 | 0 | 113 | G137 P141 | G137-L139 PolarHBondContact O-N 2.86Å; L139-P141 WeakPolarHBondContact O-CD 3.41Å | ||
| 140 | L | 37.8 | Very low | 40.7 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -91.1 | 114.4 | 157.2 | -79.3 | 171 | 0 | 0 | 0 | 109.3 | T142 | L140-T142 PolarHBondContact O-N 3.13Š| ||
| 141 | P | 44.6 | Very low | 40.1 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -83.2 | 99.8 | 175.6 | 31.8 | -32.3 | 0 | 0 | 0 | 110.9 | L139 | L139-P141 WeakPolarHBondContact O-CD 3.41Š| ||
| 142 | T | 44.3 | Very low | 40 | Very low | 127 Ų | 127 | 125 Ų | 125 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 128.8 | 162.2 | 52 | 0 | 0 | 0 | 0 | 109.8 | L140 | L140-T142 PolarHBondContact O-N 3.13Š|
| 143 | P | 37.8 | Very low | 40.1 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 137.2 | -160.6 | 31.2 | -36.4 | 0 | 0 | 0 | 114.4 | ||
| 144 | N | 36.4 | Very low | 39.5 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 141.9 | 153.5 | -98.6 | 3.4 | 0 | 0 | 0 | 109.5 | ||
| 145 | P | 46.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 152.2 | -179.2 | 34.1 | -35 | 0 | 0 | 0 | 113 | ||
| 146 | L | 37.2 | Very low | 38.6 | Very low | 160 Ų | 160 | 123.1 Ų | 123.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 71.9 | 136.1 | -178.4 | -47.6 | 170.3 | 0 | 0 | 0 | 112.7 | ||||
| 147 | T | 35.1 | Very low | 37.7 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | cis | -151.8 | 162.4 | 16.1 | -29.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 148 | Q | 36 | Very low | 37 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 68.2 | 131.3 | 168 | -68.5 | 173.9 | -5.3 | 0 | 0 | 114.8 | ||||
| 149 | I | 36.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | cis | 60.9 | 96.6 | 31.6 | -42.9 | 174.3 | 0 | 0 | 0 | 112.2 | ||||
| 150 | G | 33.8 | Very low | 36.8 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 169.1 | 165.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 151 | A | 32.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | 47.8 | 99.5 | 161 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 152 | V | 36 | Very low | 36.5 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 171.3 | 138.7 | -88.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 153 | P | 42.5 | Very low | 36.2 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -131.2 | 172.2 | 2.2 | 40.4 | -25.6 | 0 | 0 | 0 | 115.2 | ||||
| 154 | L | 30 | Very low | 36.7 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -153.5 | 144.1 | 139.3 | -160.7 | 60.8 | 0 | 0 | 0 | 111.3 | ||||
| 155 | A | 35.1 | Very low | 36.9 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -120.6 | 113.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 156 | A | 32.8 | Very low | 36.7 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -169.2 | 151.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 157 | L | 34 | Very low | 36.8 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | trans | 60.6 | 138 | 160.6 | -91.9 | 69.3 | 0 | 0 | 0 | 120.6 | ||||
| 158 | G | 27.2 | Very low | 36.8 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 114.3 | 71.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 159 | A | 31.8 | Very low | 37.1 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -78.6 | 157.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 160 | P | 45.1 | Very low | 36.9 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -145.9 | 151.4 | 77.6 | 39.8 | -22.9 | 0 | 0 | 0 | 117.1 | |||||
| 161 | T | 35.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | 23.8 | 128.2 | 144.5 | 61.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 162 | L | 39.8 | Very low | 37.6 | Very low | 179 Ų | 179 | 125 Ų | 125 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | -144.3 | 155.2 | 125.2 | -85.7 | -167.1 | 0 | 0 | 0 | 111.8 | |||||
| 163 | D | 37.8 | Very low | 37.6 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -65.9 | 157.3 | -154.9 | -159.6 | 59.6 | 0 | 0 | 0 | 119.2 | ||||
| 164 | P | 50 | Low | 37 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -104.3 | 57 | -174.2 | 40.7 | -32.1 | 0 | 0 | 0 | 114.8 | L166 | P164-L166 PolarHBondContact O-N 2.91Š| ||
| 165 | A | 39.5 | Very low | 37.7 | Very low | 83 Ų | 83 | 120.8 Ų | 120.8 | 69% | 0.686 | 81% | 0.811 | S | S | * | * | trans | -95.5 | 35.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 166 | L | 42.9 | Very low | 38.1 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -140.2 | 26.8 | -177.2 | -130 | 131.5 | 0 | 0 | 0 | 116.7 | P164 | P164-L166 PolarHBondContact O-N 2.91Š| ||
| 167 | A | 39.3 | Very low | 38.7 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -99.3 | 63.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 168 | A | 35.2 | Very low | 39.2 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -143.2 | 41.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 169 | L | 42.3 | Very low | 40.1 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 97% | 0.969 | 81% | 0.805 | S | S | * | * | trans | -153.1 | 137.6 | 150.9 | -151.2 | 68 | 0 | 0 | 0 | 109.6 | ||||
| 170 | G | 32.8 | Very low | 40.8 | Very low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | -128.3 | 160.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 171 | L | 40.3 | Very low | 41.1 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | 70.4 | 156.9 | 166.4 | -53.5 | 177.5 | 0 | 0 | 0 | 117.3 | ||||
| 172 | P | 39.9 | Very low | 42 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -121.7 | 165.8 | -32.1 | 34.4 | -20.2 | 0 | 0 | 0 | 112.1 | ||||
| 173 | G | 35.7 | Very low | 42.4 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -76.5 | 133.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 174 | A | 31 | Very low | 42.9 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -134.4 | 135.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 175 | N | 43.6 | Very low | 43.1 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -50.7 | 130.3 | 172.2 | 167.2 | 17.8 | 0 | 0 | 0 | 112.6 | ||||
| 176 | L | 43 | Very low | 43.9 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -169.1 | 162.2 | 143.9 | -106.7 | 168.2 | 0 | 0 | 0 | 113.8 | ||||
| 177 | N | 46.7 | Very low | 44.6 | Very low | 133 Ų | 133 | 120 Ų | 120 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 132.2 | -175.8 | 178.5 | 6.3 | 0 | 0 | 0 | 112.9 | ||||
| 178 | S | 43.7 | Very low | 45 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -119.3 | 14 | -165.8 | 56.6 | 0 | 0 | 0 | 0 | 116.8 | S180 | S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 2.83Å | ||
| 179 | Q | 46.3 | Very low | 45.8 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -74.4 | -12.6 | 173.6 | -80.4 | -77.1 | -63.4 | 0 | 0 | 114.6 | ||
| 180 | S | 46.9 | Very low | 46 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -103.8 | -6 | -168.2 | -161.7 | 0 | 0 | 0 | 0 | 116.4 | S178 | S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 2.83Å |
| 181 | L | 50.4 | Low | 46.9 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -93.9 | 1.1 | -169.2 | -81.2 | 168.6 | 0 | 0 | 0 | 115.8 | Q185 | L181-Q185 PolarHBondContact O-NE2 3.28Å; L181-Q185 VanDerWaalsContact O-NE2 3.14Å |
| 182 | A | 54.9 | Low | 47.4 | Very low | 76 Ų | 76 | 119.5 Ų | 119.5 | 63% | 0.628 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -82.3 | -21.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 183 | A | 48.3 | Very low | 47.9 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81.6 | -54.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q185 L186 L187 | A183-Q185 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 3.28Å; A183-L187 PolarHBondContact O-N 3.4Å |
| 184 | D | 48.5 | Very low | 47.9 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -64.9 | -36.1 | -174.7 | -83.2 | -86.7 | 0 | 0 | 0 | 114.1 | L186 L187 K188 | D184-L186 PolarHBondContact O-N 2.8Å; D184-L187 PolarHBondContact O-N 3.48Å; D184-K188 WeakPolarHBondContact O-CB 3.31Å; D184-K188 PolarHBondContact O-N 3.01Å |
| 185 | Q | 54.8 | Low | 48.8 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.5 | -35.6 | -179 | -76.4 | -177.9 | 83 | 0 | 0 | 112.7 | L181 A183 K188 L189 | L181-Q185 PolarHBondContact O-NE2 3.28Å; L181-Q185 VanDerWaalsContact O-NE2 3.14Å; A183-Q185 PolarHBondContact O-N 3.35Å; Q185-K188 PolarHBondContact O-N 2.89Å; Q185-L189 PolarHBondContact O-N 3.48Å; Q185-L189 VanDerWaalsContact O-N 3.16Å |
| 186 | L | 55.7 | Low | 48.8 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 63% | 0.634 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -67.6 | -41.4 | 174.9 | -81.4 | 169.6 | 0 | 0 | 0 | 111.6 | A183 D184 K188 L189 M190 | A183-L186 PolarHBondContact O-N 3.28Å; D184-L186 PolarHBondContact O-N 2.8Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 2.86Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-M190 PolarHBondContact O-N 2.86Å |
| 187 | L | 57.1 | Low | 48.6 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 66% | 0.66 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68 | -34.5 | 178.5 | -165.9 | 62.7 | 0 | 0 | 0 | 111.8 | A183 D184 M190 | A183-L187 PolarHBondContact O-N 3.4Å; D184-L187 PolarHBondContact O-N 3.48Å; L187-M190 PolarHBondContact O-N 3.25Å |
| 188 | K | 48 | Very low | 48.4 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 64% | 0.639 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.7 | -34.1 | 176.7 | -160.7 | 66.6 | 171 | -179.5 | 0 | 113.3 | D184 Q185 L186 S191 | D184-K188 WeakPolarHBondContact O-CB 3.31Å; D184-K188 PolarHBondContact O-N 3.01Å; Q185-K188 PolarHBondContact O-N 2.89Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 2.86Å; K188-S191 PolarHBondContact O-N 3.05Å; K188-S191 PolarHBondContact O-OG 3.41Å |
| 189 | L | 51.7 | Low | 48.2 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -72.1 | -29.3 | 178.4 | -175.1 | 60.7 | 0 | 0 | 0 | 112.8 | Q185 L186 S191 | Q185-L189 PolarHBondContact O-N 3.48Å; Q185-L189 VanDerWaalsContact O-N 3.16Å; L186-L189 PolarHBondContact O-N 2.91Å; L189-S191 VanDerWaalsContact C-N 3.3Å; L189-S191 PolarHBondContact O-N 3.38Å |
| 190 | M | 45.9 | Very low | 48.1 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -9.4 | 177.2 | -65.5 | -173 | 71.8 | 0 | 0 | 113.7 | L186 L187 | L186-M190 PolarHBondContact O-N 2.86Å; L187-M190 PolarHBondContact O-N 3.25Å |
| 191 | S | 51.6 | Low | 47.6 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 14.9 | -172 | 85.7 | 0 | 0 | 0 | 0 | 114.9 | K188 L189 | K188-S191 PolarHBondContact O-N 3.05Å; K188-S191 PolarHBondContact O-OG 3.41Å; L189-S191 VanDerWaalsContact C-N 3.3Å; L189-S191 PolarHBondContact O-N 3.38Å |
| 192 | T | 52 | Low | 47 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | trans | -126.4 | 19.6 | -172.2 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 193 | V | 50.3 | Low | 46.3 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -105 | 72.3 | 172.1 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 194 | D | 36.1 | Very low | 46 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -78.9 | 145.7 | 173.6 | -112 | -41.4 | 0 | 0 | 0 | 111.1 | ||||
| 195 | P | 49.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -97.9 | 109.2 | -161.9 | 35.1 | -32.8 | 0 | 0 | 0 | 114 | ||||
| 196 | K | 43.7 | Very low | 45 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -160.9 | 138.3 | 153.6 | -106.8 | 137.9 | -171.7 | 173.3 | 0 | 112.8 | ||||
| 197 | L | 38.2 | Very low | 44.2 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 58 | 94.8 | 166.6 | -53.9 | 179.2 | 0 | 0 | 0 | 116.7 | ||||
| 198 | N | 43.3 | Very low | 43.5 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | -156.3 | 116.4 | 107.4 | -97.8 | -24.1 | 0 | 0 | 0 | 111.2 | |||||
| 199 | H | 39.2 | Very low | 43.5 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -80.7 | 167.3 | 160.2 | -67.7 | -102.6 | 0 | 0 | 0 | 108.8 | ||||
| 200 | V | 45 | Very low | 43.4 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | 70.5 | 61.6 | 175.1 | -159 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 201 | A | 36.3 | Very low | 43.9 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -128.4 | 117.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 202 | A | 36.5 | Very low | 44 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | -89.6 | 130 | -161.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 203 | G | 41.7 | Very low | 44.4 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | 61.5 | 94.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 204 | L | 42 | Very low | 44.9 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | trans | -144.8 | 81.9 | 144.7 | -113.5 | 167.2 | 0 | 0 | 0 | 111.5 | ||||
| 205 | V | 37.5 | Very low | 46.5 | Very low | 129 Ų | 129 | 121 Ų | 121 | 78% | 0.782 | 72% | 0.722 | S | S | * | * | trans | 52.3 | 108.8 | 155 | -176.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 206 | S | 43.5 | Very low | 48 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | -73.2 | 160.9 | 161.5 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 207 | P | 38.8 | Very low | 49.6 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | -132.9 | 126.2 | 114.2 | 34.9 | -27 | 0 | 0 | 0 | 113.2 | |||||
| 208 | S | 42.7 | Very low | 51.6 | Low | 95 Ų | 95 | 117.3 Ų | 117.3 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -75.4 | -170.6 | 161.5 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 209 | L | 48.4 | Very low | 53.5 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 81.7 | 25.5 | 168.4 | -44.9 | 179.6 | 0 | 0 | 0 | 118.2 | ||
| 210 | K | 49.6 | Very low | 55.6 | Low | 179 Ų | 179 | 112.5 Ų | 112.5 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | trans | -139.4 | 19.2 | 170.9 | -68.3 | -169.8 | 179.8 | 175.8 | 0 | 116.2 | D212 | K210-D212 PolarHBondContact O-N 3.06Š| ||
| 211 | S | 55.1 | Low | 57.5 | Low | 64 Ų | 64 | 107.7 Ų | 107.7 | 45% | 0.448 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.4 | -30.5 | 179.2 | 41.3 | 0 | 0 | 0 | 0 | 114.4 | T213 S214 S215 | S211-T213 PolarHBondContact O-N 3.1Å; S211-S214 PolarHBondContact O-OG 3.48Å; S211-S215 WeakPolarHBondContact O-CB 3.33Å; S211-S215 PolarHBondContact O-N 3.43Å; S211-S215 PolarHBondContact O-OG 2.87Å |
| 212 | D | 55.3 | Low | 59.8 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 57% | 0.567 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -89.6 | -6.8 | -157.6 | -48.6 | -20.7 | 0 | 0 | 0 | 113.9 | K210 K216 | K210-D212 PolarHBondContact O-N 3.06Å; D212-K216 WeakPolarHBondContact O-CD 3.47Å; D212-K216 WeakPolarHBondContact O-CE 3.41Å; D212-K216 WeakPolarHBondContact O-CG 3.42Å; D212-K216 PolarHBondContact O-NZ 3.32Å |
| 213 | T | 59.7 | Low | 62.4 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 55% | 0.546 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -92.8 | -49.5 | 169.9 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | S211 S215 K216 E217 | S211-T213 PolarHBondContact O-N 3.1Å; T213-S215 VanDerWaalsContact C-N 3.32Å; T213-S215 PolarHBondContact O-N 2.93Å; T213-K216 PolarHBondContact O-N 2.85Å; T213-K216 VanDerWaalsContact O-N 3.1Å; T213-E217 PolarHBondContact O-N 2.93Å |
| 214 | S | 61.7 | Low | 64.4 | Low | 48 Ų | 48 | 112.6 Ų | 112.6 | 34% | 0.336 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.3 | -36.5 | 178.4 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | S211 K216 E217 I218 | S211-S214 PolarHBondContact O-OG 3.48Å; S214-K216 VanDerWaalsContact C-N 3.27Å; S214-K216 PolarHBondContact O-N 3.17Å; S214-E217 PolarHBondContact O-N 3.4Å; S214-I218 WeakPolarHBondContact O-CB 3.34Å; S214-I218 WeakPolarHBondContact O-CD1 3.4Å; S214-I218 WeakPolarHBondContact O-CG1 3.35Å; S214-I218 PolarHBondContact O-N 2.8Å |
| 215 | S | 69.6 | Low | 66.7 | Low | 66 Ų | 66 | 108.1 Ų | 108.1 | 46% | 0.462 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.7 | -35.7 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | S211 T213 E219 | S211-S215 WeakPolarHBondContact O-CB 3.33Å; S211-S215 PolarHBondContact O-N 3.43Å; S211-S215 PolarHBondContact O-OG 2.87Å; T213-S215 VanDerWaalsContact C-N 3.32Å; T213-S215 PolarHBondContact O-N 2.93Å; S215-E219 WeakPolarHBondContact O-CB 3.33Å; S215-E219 PolarHBondContact O-N 2.9Å |
| 216 | K | 79.9 | Confident | 69.2 | Low | 136 Ų | 136 | 109.5 Ų | 109.5 | 59% | 0.591 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.4 | -35.8 | 177.4 | -66.3 | 177.9 | -175.3 | 117.2 | 0 | 112.1 | D212 T213 S214 E219 E220 | D212-K216 WeakPolarHBondContact O-CD 3.47Å; D212-K216 WeakPolarHBondContact O-CE 3.41Å; D212-K216 WeakPolarHBondContact O-CG 3.42Å; D212-K216 PolarHBondContact O-NZ 3.32Å; T213-K216 PolarHBondContact O-N 2.85Å; T213-K216 VanDerWaalsContact O-N 3.1Å; S214-K216 VanDerWaalsContact C-N 3.27Å; S214-K216 PolarHBondContact O-N 3.17Å; K216-E219 PolarHBondContact O-N 3.35Å; K216-E220 WeakPolarHBondContact O-CB 3.41Å; K216-E220 PolarHBondContact O-N 2.87Å |
| 217 | E | 77.6 | Confident | 71.3 | Confident | 131 Ų | 131 | 110 Ų | 110 | 61% | 0.612 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.8 | -39.3 | 172.6 | -69.1 | 167.3 | -172.3 | 0 | 0 | 111.3 | T213 S214 E220 A221 | T213-E217 PolarHBondContact O-N 2.93Å; S214-E217 PolarHBondContact O-N 3.4Å; E217-E220 PolarHBondContact O-N 3.04Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.94Å |
| 218 | I | 81 | Confident | 73.6 | Confident | 106 Ų | 106 | 106.2 Ų | 106.2 | 54% | 0.544 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 173.1 | -68.1 | 164.2 | 0 | 0 | 0 | 111 | S214 A221 M222 | S214-I218 WeakPolarHBondContact O-CB 3.34Å; S214-I218 WeakPolarHBondContact O-CD1 3.4Å; S214-I218 WeakPolarHBondContact O-CG1 3.35Å; S214-I218 PolarHBondContact O-N 2.8Å; I218-A221 PolarHBondContact O-N 2.92Å; I218-M222 HydrophobicContact CG2-CG 4.46Å; I218-M222 WeakPolarHBondContact O-CB 3.46Å; I218-M222 WeakPolarHBondContact O-CG 3.22Å; I218-M222 PolarHBondContact O-N 3.35Å |
| 219 | E | 82.4 | Confident | 75.6 | Confident | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 174.7 | -173.6 | 178.9 | -167.3 | 0 | 0 | 111.5 | S215 K216 A221 M222 K223 | S215-E219 WeakPolarHBondContact O-CB 3.33Å; S215-E219 PolarHBondContact O-N 2.9Å; K216-E219 PolarHBondContact O-N 3.35Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 3.18Å; E219-M222 CarbonylContact O-C 3.6Å; E219-M222 PolarHBondContact O-N 3.4Å; E219-K223 WeakPolarHBondContact O-CB 3.49Å; E219-K223 PolarHBondContact O-N 2.86Å |
| 220 | E | 83.8 | Confident | 77.4 | Confident | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 177.1 | -154.3 | -166.2 | -161 | 0 | 0 | 111.7 | K216 E217 K223 R224 | K216-E220 WeakPolarHBondContact O-CB 3.41Å; K216-E220 PolarHBondContact O-N 2.87Å; E217-E220 PolarHBondContact O-N 3.04Å; E220-K223 PolarHBondContact O-N 2.87Å; E220-R224 WeakPolarHBondContact O-CG 3.34Å; E220-R224 PolarHBondContact O-N 2.8Å; E220-R224 IonicContact OE1-CZ 3.54Å; E220-R224 IonicContact OE1-NH1 2.69Å; E220-R224 IonicContact OE1-NH2 3.66Å; E220-R224 PolarHBondContact OE1-NH2 3.28Å; E220-R224 IonicContact OE2-CZ 3.88Å; E220-R224 IonicContact OE2-NH1 3.68Å; E220-R224 PolarHBondContact OE2-NH1 3.44Å; E220-R224 IonicContact OE2-NH2 3.16Å; E220-R224 PolarHBondContact OE2-NH2 2.96Å |
| 221 | A | 84.3 | Confident | 79 | Confident | 48 Ų | 48 | 100.1 Ų | 100.1 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E217 I218 E219 K223 R224 V225 | E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.94Å; I218-A221 PolarHBondContact O-N 2.92Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 3.18Å; A221-K223 PolarHBondContact O-N 2.84Å; A221-R224 PolarHBondContact O-N 3.07Å; A221-R224 VanDerWaalsContact O-N 3.13Å; A221-V225 WeakPolarHBondContact O-CG2 3.38Å; A221-V225 PolarHBondContact O-N 3.2Å |
| 222 | M | 85.3 | Confident | 80.1 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -24.5 | 175.3 | -77.1 | -69.2 | -142 | 0 | 0 | 113.2 | I218 E219 R226 | I218-M222 HydrophobicContact CG2-CG 4.46Å; I218-M222 WeakPolarHBondContact O-CB 3.46Å; I218-M222 WeakPolarHBondContact O-CG 3.22Å; I218-M222 PolarHBondContact O-N 3.35Å; E219-M222 CarbonylContact O-C 3.6Å; E219-M222 PolarHBondContact O-N 3.4Å; M222-R226 PolarHBondContact O-N 3.43Å; M222-R226 PolarHBondContact O-NE 3.17Å |
| 223 | K | 91.3 | Very high | 81.2 | Confident | 141 Ų | 141 | 100 Ų | 100 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.9 | -46.2 | 170.4 | -174.6 | -179.1 | 176.6 | -175.9 | 0 | 111 | E219 E220 A221 V225 R226 E227 | E219-K223 WeakPolarHBondContact O-CB 3.49Å; E219-K223 PolarHBondContact O-N 2.86Å; E220-K223 PolarHBondContact O-N 2.87Å; A221-K223 PolarHBondContact O-N 2.84Å; K223-V225 VanDerWaalsContact C-N 3.31Å; K223-V225 PolarHBondContact O-N 2.81Å; K223-R226 PolarHBondContact O-N 2.71Å; K223-E227 WeakPolarHBondContact O-CB 3.31Å; K223-E227 PolarHBondContact O-N 3.18Å |
| 224 | R | 83.3 | Confident | 81.7 | Confident | 132 Ų | 132 | 99.4 Ų | 99.4 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 174.4 | -74.1 | 178.5 | -175.7 | 107.4 | 4.7 | 112.9 | E220 A221 E227 A228 | E220-R224 WeakPolarHBondContact O-CG 3.34Å; E220-R224 PolarHBondContact O-N 2.8Å; E220-R224 IonicContact OE1-CZ 3.54Å; E220-R224 IonicContact OE1-NH1 2.69Å; E220-R224 IonicContact OE1-NH2 3.66Å; E220-R224 PolarHBondContact OE1-NH2 3.28Å; E220-R224 IonicContact OE2-CZ 3.88Å; E220-R224 IonicContact OE2-NH1 3.68Å; E220-R224 PolarHBondContact OE2-NH1 3.44Å; E220-R224 IonicContact OE2-NH2 3.16Å; E220-R224 PolarHBondContact OE2-NH2 2.96Å; A221-R224 PolarHBondContact O-N 3.07Å; A221-R224 VanDerWaalsContact O-N 3.13Å; R224-E227 PolarHBondContact O-N 2.99Å; R224-A228 VanDerWaalsContact O-CB 3.3Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 3.42Å |
| 225 | V | 89.2 | Confident | 81.9 | Confident | 75 Ų | 75 | 101.2 Ų | 101.2 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 173.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A221 K223 A228 Q229 | A221-V225 WeakPolarHBondContact O-CG2 3.38Å; A221-V225 PolarHBondContact O-N 3.2Å; K223-V225 VanDerWaalsContact C-N 3.31Å; K223-V225 PolarHBondContact O-N 2.81Å; V225-A228 PolarHBondContact O-N 3.19Å; V225-Q229 WeakPolarHBondContact O-CB 3.47Å; V225-Q229 VanDerWaalsContact O-CG 3.31Å; V225-Q229 WeakPolarHBondContact O-CG 3.31Å; V225-Q229 PolarHBondContact O-N 2.66Å |
| 226 | R | 90.7 | Very high | 81.9 | Confident | 157 Ų | 157 | 104 Ų | 104 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.6 | -34.1 | 176 | -81.3 | 176.8 | -79.4 | -177.9 | -5.8 | 113.2 | M222 K223 S230 | M222-R226 PolarHBondContact O-N 3.43Å; M222-R226 PolarHBondContact O-NE 3.17Å; K223-R226 PolarHBondContact O-N 2.71Å; R226-S230 VanDerWaalsContact O-CB 3.25Å; R226-S230 WeakPolarHBondContact O-CB 3.43Å; R226-S230 PolarHBondContact O-N 2.9Å |
| 227 | E | 87.8 | Confident | 80.5 | Confident | 113 Ų | 113 | 104.9 Ų | 104.9 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -45.4 | 172.9 | -175.4 | 175.4 | -174.1 | 0 | 0 | 111.3 | K223 R224 S230 L231 | K223-E227 WeakPolarHBondContact O-CB 3.31Å; K223-E227 PolarHBondContact O-N 3.18Å; R224-E227 PolarHBondContact O-N 2.99Å; E227-S230 PolarHBondContact O-N 3.09Å; E227-L231 HydrophobicContact CG-CD1 4.35Å; E227-L231 WeakPolarHBondContact O-CB 3.27Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.73Å |
| 228 | A | 87.4 | Confident | 79.1 | Confident | 46 Ų | 46 | 103.7 Ų | 103.7 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | R224 V225 S230 L231 I232 | R224-A228 VanDerWaalsContact O-CB 3.3Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 3.42Å; V225-A228 PolarHBondContact O-N 3.19Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 3Å; A228-L231 PolarHBondContact O-N 2.69Å; A228-I232 WeakPolarHBondContact O-CB 3.18Å; A228-I232 WeakPolarHBondContact O-CD1 3.19Å; A228-I232 WeakPolarHBondContact O-CG1 3.5Å; A228-I232 PolarHBondContact O-N 2.74Å |
| 229 | Q | 83.9 | Confident | 77.5 | Confident | 111 Ų | 111 | 105 Ų | 105 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -40.6 | 173.8 | -75.3 | 172.8 | -27.4 | 0 | 0 | 111.9 | V225 I232 S233 | V225-Q229 WeakPolarHBondContact O-CB 3.47Å; V225-Q229 VanDerWaalsContact O-CG 3.31Å; V225-Q229 WeakPolarHBondContact O-CG 3.31Å; V225-Q229 PolarHBondContact O-N 2.66Å; Q229-I232 PolarHBondContact O-N 3.43Å; Q229-S233 PolarHBondContact O-N 3.38Å; Q229-S233 PolarHBondContact O-OG 2.7Å |
| 230 | S | 87.3 | Confident | 76.2 | Confident | 77 Ų | 77 | 107.7 Ų | 107.7 | 54% | 0.538 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64 | -43.9 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | R226 E227 A228 I232 S233 A234 | R226-S230 VanDerWaalsContact O-CB 3.25Å; R226-S230 WeakPolarHBondContact O-CB 3.43Å; R226-S230 PolarHBondContact O-N 2.9Å; E227-S230 PolarHBondContact O-N 3.09Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 3Å; S230-I232 VanDerWaalsContact C-N 3.32Å; S230-I232 PolarHBondContact O-N 2.64Å; S230-S233 PolarHBondContact O-N 2.68Å; S230-A234 WeakPolarHBondContact O-CB 3.35Å; S230-A234 PolarHBondContact O-N 2.9Å |
| 231 | L | 81.8 | Confident | 74.8 | Confident | 115 Ų | 115 | 112.5 Ų | 112.5 | 60% | 0.602 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -34.4 | 174.4 | -72.9 | 168 | 0 | 0 | 0 | 112.6 | E227 A228 A235 | E227-L231 HydrophobicContact CG-CD1 4.35Å; E227-L231 WeakPolarHBondContact O-CB 3.27Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.73Å; A228-L231 PolarHBondContact O-N 2.69Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.05Å |
| 232 | I | 79.4 | Confident | 72.7 | Confident | 98 Ų | 98 | 114.7 Ų | 114.7 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.8 | -48.2 | 173.7 | -72.9 | 164.1 | 0 | 0 | 0 | 110.2 | A228 Q229 S230 A234 A235 I236 | A228-I232 WeakPolarHBondContact O-CB 3.18Å; A228-I232 WeakPolarHBondContact O-CD1 3.19Å; A228-I232 WeakPolarHBondContact O-CG1 3.5Å; A228-I232 PolarHBondContact O-N 2.74Å; Q229-I232 PolarHBondContact O-N 3.43Å; S230-I232 VanDerWaalsContact C-N 3.32Å; S230-I232 PolarHBondContact O-N 2.64Å; I232-A234 PolarHBondContact O-N 2.9Å; I232-A235 CarbonylContact O-C 3.56Å; I232-A235 PolarHBondContact O-N 2.93Å; I232-I236 HydrophobicContact CG2-CD1 3.57Å; I232-I236 HydrophobicContact CG2-CG1 4.39Å; I232-I236 WeakPolarHBondContact O-CB 3.34Å; I232-I236 WeakPolarHBondContact O-CG1 3.06Å; I232-I236 PolarHBondContact O-N 3.34Å |
| 233 | S | 77.8 | Confident | 71 | Confident | 70 Ų | 70 | 118.3 Ų | 118.3 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.4 | -44.7 | 175.4 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | Q229 S230 A235 I236 E237 | Q229-S233 PolarHBondContact O-N 3.38Å; Q229-S233 PolarHBondContact O-OG 2.7Å; S230-S233 PolarHBondContact O-N 2.68Å; S233-A235 PolarHBondContact O-N 2.81Å; S233-A235 VanDerWaalsContact O-N 3.13Å; S233-I236 PolarHBondContact O-N 2.8Å; S233-E237 PolarHBondContact O-N 3.16Å |
| 234 | A | 69.9 | Low | 69 | Low | 77 Ų | 77 | 120.8 Ų | 120.8 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.1 | -11.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | S230 I232 | S230-A234 WeakPolarHBondContact O-CB 3.35Å; S230-A234 PolarHBondContact O-N 2.9Å; I232-A234 PolarHBondContact O-N 2.9Å |
| 235 | A | 65.6 | Low | 67.4 | Low | 85 Ų | 85 | 123.9 Ų | 123.9 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -106.4 | -4.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L231 I232 S233 | L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.05Å; I232-A235 CarbonylContact O-C 3.56Å; I232-A235 PolarHBondContact O-N 2.93Å; S233-A235 PolarHBondContact O-N 2.81Å; S233-A235 VanDerWaalsContact O-N 3.13Å |
| 236 | I | 70.8 | Confident | 65.3 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -113 | -19.8 | -179.7 | -71.3 | 179.9 | 0 | 0 | 0 | 111.9 | I232 S233 P238 | I232-I236 HydrophobicContact CG2-CD1 3.57Å; I232-I236 HydrophobicContact CG2-CG1 4.39Å; I232-I236 WeakPolarHBondContact O-CB 3.34Å; I232-I236 WeakPolarHBondContact O-CG1 3.06Å; I232-I236 PolarHBondContact O-N 3.34Å; S233-I236 PolarHBondContact O-N 2.8Å; I236-P238 WeakPolarHBondContact O-CD 3.48Å |
| 237 | E | 50.3 | Low | 63 | Low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -54.8 | 120.8 | 166.7 | -80.3 | -167.8 | 174.5 | 0 | 0 | 110.2 | S233 D239 | S233-E237 PolarHBondContact O-N 3.16Å; E237-D239 PolarHBondContact O-N 3.44Å |
| 238 | P | 48.6 | Very low | 60.8 | Low | 106 Ų | 106 | 131.4 Ų | 131.4 | 69% | 0.688 | 67% | 0.671 | S | S | * | * | trans | -74.3 | 118.2 | -168.4 | 27.1 | -34 | 0 | 0 | 0 | 111.4 | I236 K240 | I236-P238 WeakPolarHBondContact O-CD 3.48Å; P238-K240 PolarHBondContact O-N 3.14Å | ||
| 239 | D | 47.2 | Very low | 58.6 | Low | 133 Ų | 133 | 139.1 Ų | 139.1 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | -62.2 | 79.2 | -167.7 | -163.1 | -8.8 | 0 | 0 | 0 | 114.6 | E237 K241 | E237-D239 PolarHBondContact O-N 3.44Å; D239-K241 PolarHBondContact O-N 3.41Å | ||
| 240 | K | 55.4 | Low | 56.4 | Low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | trans | -91.7 | 65.9 | 174.2 | -72.9 | -176.1 | 178.3 | 176.4 | 0 | 111.7 | P238 | P238-K240 PolarHBondContact O-N 3.14Š| ||
| 241 | K | 53.8 | Low | 54.1 | Low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.865 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 128.3 | 79.8 | 157.3 | -68.8 | 161.9 | 179.7 | 173.1 | 0 | 115 | D239 | D239-K241 PolarHBondContact O-N 3.41Š|
| 242 | E | 40.5 | Very low | 52 | Low | 93 Ų | 93 | 145.4 Ų | 145.4 | 44% | 0.435 | 72% | 0.723 | S | S | . | * | trans | -135.1 | 32.7 | 161.6 | -103 | -75.1 | 141.5 | 0 | 0 | 114.2 | K244 R245 | E242-K244 PolarHBondContact O-N 3.41Å; E242-R245 IonicContact OE1-CZ 3.01Å; E242-R245 IonicContact OE1-NE 2.66Å; E242-R245 IonicContact OE1-NH1 3.59Å; E242-R245 PolarHBondContact OE1-NH1 3.41Å; E242-R245 VanDerWaalsContact OE2-CB 3.31Å; E242-R245 WeakPolarHBondContact OE2-CB 3.28Å; E242-R245 VanDerWaalsContact OE2-CD 3.27Å; E242-R245 WeakPolarHBondContact OE2-CD 3.45Å; E242-R245 VanDerWaalsContact OE2-CG 3.28Å; E242-R245 WeakPolarHBondContact OE2-CG 3.48Å | ||
| 243 | E | 48.1 | Very low | 50 | Low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 11 | -177.5 | -150.7 | -143 | 153.4 | 0 | 0 | 115.7 | ||
| 244 | K | 49.7 | Very low | 48.1 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 12.6 | -167.3 | -67.3 | -172.4 | 178.5 | 174.4 | 0 | 116.8 | E242 | E242-K244 PolarHBondContact O-N 3.41Š|
| 245 | R | 49.2 | Very low | 46.7 | Very low | 198 Ų | 198 | 158.6 Ų | 158.6 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | trans | -116.6 | 29.7 | 178.8 | -68.1 | -167.7 | 163.6 | 128.8 | -9.8 | 117.1 | E242 H247 | E242-R245 IonicContact OE1-CZ 3.01Å; E242-R245 IonicContact OE1-NE 2.66Å; E242-R245 IonicContact OE1-NH1 3.59Å; E242-R245 PolarHBondContact OE1-NH1 3.41Å; E242-R245 VanDerWaalsContact OE2-CB 3.31Å; E242-R245 WeakPolarHBondContact OE2-CB 3.28Å; E242-R245 VanDerWaalsContact OE2-CD 3.27Å; E242-R245 WeakPolarHBondContact OE2-CD 3.45Å; E242-R245 VanDerWaalsContact OE2-CG 3.28Å; E242-R245 WeakPolarHBondContact OE2-CG 3.48Å; R245-H247 PolarHBondContact O-N 2.93Å | ||
| 246 | R | 45.8 | Very low | 45.4 | Very low | 243 Ų | 243 | 165.6 Ų | 165.6 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 105.7 | 166.1 | -69.5 | -164.9 | 176.3 | -152.9 | -1.5 | 112.5 | S248 | R246-S248 PolarHBondContact O-N 3.3Š| ||
| 247 | H | 42.8 | Very low | 44 | Very low | 153 Ų | 153 | 171.4 Ų | 171.4 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -59.7 | 85.2 | 176.9 | 175.2 | 87.8 | 0 | 0 | 0 | 112.7 | R245 R249 | R245-H247 PolarHBondContact O-N 2.93Å; H247-R249 PolarHBondContact O-N 3.44Å | ||
| 248 | S | 41.2 | Very low | 43.4 | Very low | 106 Ų | 106 | 175.2 Ų | 175.2 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 96 | 178.3 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | R246 S250 | R246-S248 PolarHBondContact O-N 3.3Å; S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 3.16Å | ||
| 249 | R | 41 | Very low | 43.1 | Very low | 209 Ų | 209 | 176.3 Ų | 176.3 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | -72 | 77.9 | -177.6 | -155.9 | 175.9 | -165.8 | 127 | -6.3 | 111.6 | H247 R251 | H247-R249 PolarHBondContact O-N 3.44Å; R249-R251 PolarHBondContact O-N 3.48Å | ||
| 250 | S | 38.4 | Very low | 42.8 | Very low | 109 Ų | 109 | 176 Ų | 176 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -56.8 | 98.9 | -169.2 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | S248 | S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 3.16Å | ||
| 251 | R | 38.5 | Very low | 41.8 | Very low | 215 Ų | 215 | 173 Ų | 173 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -109.4 | 58.6 | -178.8 | -148.1 | 169.7 | -158.6 | 164 | 6.3 | 112.5 | R249 R253 | R249-R251 PolarHBondContact O-N 3.48Å; R251-R253 PolarHBondContact O-N 3.5Å | ||
| 252 | S | 37.4 | Very low | 41.1 | Very low | 110 Ų | 110 | 169.2 Ų | 169.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -46.2 | 105 | -177 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 253 | R | 38.9 | Very low | 41.1 | Very low | 190 Ų | 190 | 169.4 Ų | 169.4 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -133.3 | 68.3 | 173.9 | -78.6 | -173.5 | 167.2 | 172.4 | -3.2 | 110.7 | R251 R255 | R251-R253 PolarHBondContact O-N 3.5Å; R253-R255 PolarHBondContact O-N 3.42Å | ||
| 254 | S | 37.3 | Very low | 40.7 | Very low | 117 Ų | 117 | 171.4 Ų | 171.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -66 | 65.2 | 171.8 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | R256 | S254-R256 PolarHBondContact O-N 3.4Š| ||
| 255 | R | 41.3 | Very low | 40.1 | Very low | 216 Ų | 216 | 170.9 Ų | 170.9 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | trans | -71.9 | 77.1 | 171.6 | -75.8 | -174.2 | 170 | 178.5 | -4.1 | 110 | R253 R257 | R253-R255 PolarHBondContact O-N 3.42Å; R255-R257 PolarHBondContact O-N 3.48Å | ||
| 256 | R | 38.2 | Very low | 39.5 | Very low | 232 Ų | 232 | 173 Ų | 173 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -43.3 | 125.7 | 162.2 | -83.2 | -173.2 | 170 | -143.7 | 0.8 | 108.6 | S254 R258 | S254-R256 PolarHBondContact O-N 3.4Å; R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.44Å | ||
| 257 | R | 40.3 | Very low | 39 | Very low | 246 Ų | 246 | 173 Ų | 173 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -66.2 | 93.1 | 166.5 | -71.6 | -174.2 | 177.5 | -169.7 | 0.5 | 108 | R255 T259 | R255-R257 PolarHBondContact O-N 3.48Å; R257-T259 PolarHBondContact O-N 3.5Å | ||
| 258 | R | 38.9 | Very low | 38.9 | Very low | 234 Ų | 234 | 170.7 Ų | 170.7 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -64.8 | 112.7 | 166.6 | -80.3 | -178.8 | 169.3 | 164.8 | -4 | 107.6 | R256 | R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.44Å | ||
| 259 | T | 42 | Very low | 38.7 | Very low | 129 Ų | 129 | 176.4 Ų | 176.4 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -64.8 | 129.1 | 166.2 | 36.6 | 0 | 0 | 0 | 0 | 109.2 | R257 S261 | R257-T259 PolarHBondContact O-N 3.5Å; T259-S261 PolarHBondContact O-N 3.4Å | ||
| 260 | P | 40.2 | Very low | 38.4 | Very low | 126 Ų | 126 | 172.3 Ų | 172.3 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -68.3 | 119.1 | 173.2 | -20 | 33.4 | 0 | 0 | 0 | 110.2 | S262 | P260-S262 PolarHBondContact O-N 3.39Å; P260-S262 VanDerWaalsContact O-N 3.13Å | ||
| 261 | S | 35.2 | Very low | 38.4 | Very low | 128 Ų | 128 | 178.1 Ų | 178.1 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | trans | -74.5 | 98.8 | 174.1 | 54 | 0 | 0 | 0 | 0 | 110.4 | T259 | T259-S261 PolarHBondContact O-N 3.4Š| ||
| 262 | S | 37.5 | Very low | 38.6 | Very low | 120 Ų | 120 | 173.8 Ų | 173.8 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -96.3 | 134.7 | 163.6 | -167.9 | 0 | 0 | 0 | 0 | 110 | P260 | P260-S262 PolarHBondContact O-N 3.39Å; P260-S262 VanDerWaalsContact O-N 3.13Å | ||
| 263 | S | 40.8 | Very low | 38.6 | Very low | 96 Ų | 96 | 179.4 Ų | 179.4 | 67% | 0.671 | 84% | 0.84 | S | S | * | * | trans | -88.6 | 143.5 | -172.8 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 264 | R | 40.6 | Very low | 38.4 | Very low | 230 Ų | 230 | 181 Ų | 181 | 87% | 0.868 | 85% | 0.846 | S | S | * | * | trans | 169.3 | 95.2 | 133.5 | -91.8 | 155.1 | -172 | -161.6 | 3 | 112.1 | ||||
| 265 | H | 36.4 | Very low | 38.3 | Very low | 181 Ų | 181 | 185.5 Ų | 185.5 | 84% | 0.838 | 85% | 0.845 | S | S | * | * | -179.8 | 132.6 | 115.5 | -105.9 | 19.8 | 0 | 0 | 0 | 111.5 | |||||
| 266 | R | 36.4 | Very low | 38 | Very low | 242 Ų | 242 | 180.3 Ų | 180.3 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | trans | -95.8 | 115.6 | 169 | -68.3 | 176.8 | 176 | 172.9 | -2.4 | 108.1 | ||||
| 267 | R | 35.9 | Very low | 38 | Very low | 245 Ų | 245 | 178.1 Ų | 178.1 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | trans | -100.2 | 82.9 | 159.7 | -86.2 | -175.5 | 170.2 | 159.5 | -2.3 | 108.8 | ||||
| 268 | S | 40.4 | Very low | 37.8 | Very low | 104 Ų | 104 | 170.3 Ų | 170.3 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -71.1 | 132.4 | 174 | 41.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 269 | R | 36.3 | Very low | 37.9 | Very low | 226 Ų | 226 | 169 Ų | 169 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -64.3 | 139.5 | 172.2 | -66.8 | 169 | 167.7 | 139.8 | -5.9 | 110.4 | ||||
| 270 | S | 34.7 | Very low | 37.5 | Very low | 122 Ų | 122 | 167.8 Ų | 167.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -128.4 | 120.4 | 152.6 | -72.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 271 | R | 40.3 | Very low | 37.4 | Very low | 231 Ų | 231 | 173.2 Ų | 173.2 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -101.4 | 117.1 | 171.5 | -76.5 | 172.8 | 166.6 | 158.7 | -8 | 108 | ||||
| 272 | S | 40.8 | Very low | 37.5 | Very low | 125 Ų | 125 | 171.3 Ų | 171.3 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -101.3 | 136.5 | 158.4 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 273 | R | 38 | Very low | 37.5 | Very low | 227 Ų | 227 | 176.6 Ų | 176.6 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -126.7 | 161.2 | 172 | -83.6 | 177.3 | 160.8 | 175.9 | -7.8 | 106.8 | ||||
| 274 | R | 34.9 | Very low | 37.2 | Very low | 224 Ų | 224 | 183.7 Ų | 183.7 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 79.8 | 146.6 | 173 | -52.3 | 177.4 | -179 | -136.8 | 2 | 114.5 | ||||
| 275 | R | 35 | Very low | 37 | Very low | 211 Ų | 211 | 184 Ų | 184 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | cis | -168.1 | 145.9 | -30.8 | -122.3 | 170.1 | -176.2 | 166.4 | -1.6 | 108.7 | ||||
| 276 | S | 34.9 | Very low | 37 | Very low | 108 Ų | 108 | 180.1 Ų | 180.1 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | 46.3 | 119.5 | 151.1 | 57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 277 | H | 37.9 | Very low | 36.8 | Very low | 185 Ų | 185 | 178.7 Ų | 178.7 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 175.2 | 136.4 | -148.6 | 61.6 | 0 | 0 | 0 | 113 | ||||
| 278 | S | 36.7 | Very low | 36.8 | Very low | 83 Ų | 83 | 172.5 Ų | 172.5 | 58% | 0.58 | 82% | 0.815 | S | S | * | * | trans | -75.9 | 122.6 | -150 | 55.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 279 | K | 40.1 | Very low | 37.3 | Very low | 206 Ų | 206 | 173.3 Ų | 173.3 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | -0.1 | 108.3 | 123.4 | -176.2 | -177.7 | -175 | 178.7 | 0 | 117.9 | |||||
| 280 | S | 35.1 | Very low | 37.4 | Very low | 103 Ų | 103 | 174.5 Ų | 174.5 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | 170.8 | 163.4 | 142.7 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 281 | R | 36.8 | Very low | 37.9 | Very low | 240 Ų | 240 | 180.2 Ų | 180.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | cis | -147.9 | 170.3 | -10.1 | -130.1 | 165.4 | -174.8 | 153.8 | -2.8 | 108.7 | ||||
| 282 | S | 37.4 | Very low | 37.6 | Very low | 89 Ų | 89 | 179.5 Ų | 179.5 | 62% | 0.622 | 82% | 0.822 | S | S | * | * | trans | -82.5 | 162.4 | -167.1 | 66 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 283 | R | 37.9 | Very low | 37.4 | Very low | 231 Ų | 231 | 182.7 Ų | 182.7 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | 75.2 | 104.6 | 153.2 | -63.2 | 160.8 | -178.5 | 173.5 | -0.2 | 119.4 | ||||
| 284 | R | 34.9 | Very low | 37.2 | Very low | 244 Ų | 244 | 176.8 Ų | 176.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -157.7 | 108.4 | 116.2 | -96.9 | 160.8 | -164.2 | -113.5 | 3.1 | 106.3 | |||||
| 285 | R | 36.3 | Very low | 37.4 | Very low | 238 Ų | 238 | 175.3 Ų | 175.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | 39.4 | 124.6 | 90.8 | -88 | -170 | 173.5 | 172.5 | -2.2 | 113.3 | |||||
| 286 | S | 35.7 | Very low | 37.4 | Very low | 98 Ų | 98 | 169 Ų | 169 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | cis | 170.7 | 122.4 | -19.2 | 35.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 287 | K | 32.1 | Very low | 37.6 | Very low | 213 Ų | 213 | 174.5 Ų | 174.5 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -161.2 | 95.6 | 165.8 | -118 | 164.6 | -174.7 | 175.5 | 0 | 112.3 | ||||
| 288 | S | 37.5 | Very low | 37.5 | Very low | 115 Ų | 115 | 172 Ų | 172 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -98.3 | -173.6 | 164.5 | -46.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 289 | P | 50.3 | Low | 37.4 | Very low | 121 Ų | 121 | 178.1 Ų | 178.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | -114 | 170.8 | -108.3 | 33.6 | -17 | 0 | 0 | 0 | 113.4 | |||||
| 290 | R | 38.4 | Very low | 37.1 | Very low | 250 Ų | 250 | 172.2 Ų | 172.2 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | -136.5 | 115.1 | 168.4 | -73.1 | -167.5 | 169.5 | -169.7 | -4.6 | 112.9 | ||||
| 291 | R | 44.1 | Very low | 37.2 | Very low | 242 Ų | 242 | 179 Ų | 179 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -54.9 | 139.9 | 159 | -78.8 | 173.7 | 155.2 | -170.3 | -6.8 | 110.4 | ||||
| 292 | R | 35.3 | Very low | 36.8 | Very low | 216 Ų | 216 | 179.5 Ų | 179.5 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | 163.2 | 151.4 | 150.6 | -95.1 | 164.5 | -170.8 | -119.2 | 5.2 | 108.7 | ||||
| 293 | R | 35.6 | Very low | 36.8 | Very low | 193 Ų | 193 | 180.5 Ų | 180.5 | 73% | 0.728 | 82% | 0.819 | S | S | * | * | cis | -168 | 160.9 | -24.2 | -136.4 | -177.1 | 179.5 | 103.6 | -6.9 | 107.5 | ||||
| 294 | S | 33.8 | Very low | 36.5 | Very low | 103 Ų | 103 | 181.5 Ų | 181.5 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | 43.2 | 105.9 | 153.3 | 56.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 295 | H | 38.7 | Very low | 36.4 | Very low | 192 Ų | 192 | 175.1 Ų | 175.1 | 89% | 0.889 | 82% | 0.815 | S | S | * | * | trans | -87.9 | 124.8 | 152.3 | 163.5 | -79.7 | 0 | 0 | 0 | 109.4 | ||||
| 296 | S | 37 | Very low | 36.3 | Very low | 78 Ų | 78 | 170.7 Ų | 170.7 | 55% | 0.545 | 82% | 0.815 | S | S | . | * | trans | -160.3 | 140.2 | 168.4 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 297 | R | 37.2 | Very low | 36.3 | Very low | 224 Ų | 224 | 171.7 Ų | 171.7 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | 81.9 | 138.3 | 159.1 | -60.6 | 169.7 | -176 | 167.4 | 0.7 | 115.7 | ||||
| 298 | E | 35.8 | Very low | 36.4 | Very low | 132 Ų | 132 | 171.5 Ų | 171.5 | 62% | 0.617 | 82% | 0.821 | S | S | * | * | cis | -157.2 | 168.3 | 6.1 | -132.3 | -168.3 | 135.1 | 0 | 0 | 115.1 | ||||
| 299 | R | 35.8 | Very low | 36.2 | Very low | 212 Ų | 212 | 172.3 Ų | 172.3 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | 62.7 | 108.4 | 154.3 | -67.5 | 170.3 | -162.9 | 168.7 | 19.9 | 120.9 | ||||
| 300 | G | 33.6 | Very low | 35.5 | Very low | 82 Ų | 82 | 177.9 Ų | 177.9 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -158.6 | 120.5 | 150 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 301 | R | 36.2 | Very low | 35.5 | Very low | 246 Ų | 246 | 171.1 Ų | 171.1 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -114.2 | 163.2 | -177.1 | -76.1 | -173 | 174.8 | -167.9 | -0.1 | 111.6 | ||||
| 302 | R | 29.8 | Very low | 35.1 | Very low | 250 Ų | 250 | 168 Ų | 168 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | 76.6 | 141.5 | -177.8 | -64.2 | 174.4 | 163.4 | 148.8 | -6.5 | 113.4 | ||||
| 303 | S | 36.8 | Very low | 35 | Very low | 110 Ų | 110 | 167.4 Ų | 167.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | cis | -152.7 | 146.2 | -0.9 | 40.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 304 | R | 31.8 | Very low | 35.1 | Very low | 252 Ų | 252 | 166.4 Ų | 166.4 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | trans | -135.8 | 138.1 | 163.7 | -87.4 | -177.3 | 170 | 156.1 | -3.2 | 108.9 | ||||
| 305 | S | 33.1 | Very low | 35.3 | Very low | 110 Ų | 110 | 170.8 Ų | 170.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -165.7 | 92.4 | -176 | 55 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 306 | T | 34.4 | Very low | 35.6 | Very low | 145 Ų | 145 | 167.5 Ų | 167.5 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -156.6 | 78 | 159.6 | 47.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 307 | S | 34.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 173.8 Ų | 173.8 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -157.6 | 123.6 | 163.9 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | K | 34.6 | Very low | 36.1 | Very low | 210 Ų | 210 | 170.1 Ų | 170.1 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -153.9 | 142.4 | 161.2 | -80.8 | -155.9 | 174.7 | -172.6 | 0 | 109.3 | ||||
| 309 | T | 32.9 | Very low | 36.4 | Very low | 132 Ų | 132 | 171.7 Ų | 171.7 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -142.8 | 130.6 | -175.9 | 32 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 310 | R | 36.3 | Very low | 36.5 | Very low | 237 Ų | 237 | 170.9 Ų | 170.9 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | 63.1 | 164.1 | 164.2 | -63.5 | -175.7 | 175.4 | 163.6 | -1.3 | 115.2 | ||||
| 311 | D | 37.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 178.2 Ų | 178.2 | 58% | 0.583 | 82% | 0.824 | S | S | * | * | cis | -150.4 | 168 | 6.9 | -145.1 | -9.9 | 0 | 0 | 0 | 113.9 | ||||
| 312 | K | 36.7 | Very low | 36.7 | Very low | 177 Ų | 177 | 171.6 Ų | 171.6 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | 49.2 | 119.6 | 155.4 | -69.1 | 149.7 | -172.6 | 159.2 | 0 | 121.2 | ||||
| 313 | K | 33.7 | Very low | 37.2 | Very low | 202 Ų | 202 | 169.7 Ų | 169.7 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | -171.9 | 112.2 | 92.3 | -169.6 | 172.8 | -179.9 | -176.9 | 0 | 113.8 | |||||
| 314 | K | 37.1 | Very low | 37.7 | Very low | 172 Ų | 172 | 170.7 Ų | 170.7 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -10.7 | 131 | 154.7 | 179.6 | -177.2 | -178.7 | -177.1 | 0 | 119 | D316 | K314-D316 WeakPolarHBondContact CE-OD2 3.49Š| ||
| 315 | E | 38.4 | Very low | 38.5 | Very low | 195 Ų | 195 | 164.4 Ų | 164.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | -151.3 | 157 | 127.6 | -153.5 | 165.5 | -120.7 | 0 | 0 | 111.3 | |||||
| 316 | D | 44.7 | Very low | 39.2 | Very low | 123 Ų | 123 | 165.2 Ų | 165.2 | 66% | 0.658 | 81% | 0.81 | S | S | * | * | trans | -99.2 | 135.9 | -165.8 | -69 | -86 | 0 | 0 | 0 | 113.8 | K314 | K314-D316 WeakPolarHBondContact CE-OD2 3.49Š| ||
| 317 | K | 42.6 | Very low | 39.4 | Very low | 210 Ų | 210 | 167.7 Ų | 167.7 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -159.9 | 130.3 | 142 | -120.7 | 158 | -170.1 | 161.7 | 0 | 115.2 | ||||
| 318 | E | 41.2 | Very low | 39.6 | Very low | 147 Ų | 147 | 167.2 Ų | 167.2 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -65 | 146.5 | 168 | -31.3 | 160.9 | 106.5 | 0 | 0 | 111 | ||||
| 319 | K | 42.5 | Very low | 39.7 | Very low | 165 Ų | 165 | 167.4 Ų | 167.4 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | 167.5 | 122.3 | 108.4 | -97.1 | 132.7 | 177.4 | 140.3 | 0 | 114.1 | |||||
| 320 | K | 38.9 | Very low | 40.1 | Very low | 196 Ų | 196 | 165 Ų | 165 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | 31.9 | 115.3 | 136.6 | -63.1 | -178.2 | 179.7 | 177.8 | 0 | 119.9 | ||||
| 321 | R | 34.4 | Very low | 40.3 | Very low | 235 Ų | 235 | 159.5 Ų | 159.5 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | 76.8 | 146.4 | 121.2 | -156.3 | 176.4 | -166.4 | 177.2 | 5 | 118.8 | |||||
| 322 | S | 39.7 | Very low | 40.3 | Very low | 107 Ų | 107 | 159 Ų | 159 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 61.4 | 117.3 | 168 | 54.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 323 | K | 40.6 | Very low | 40.2 | Very low | 210 Ų | 210 | 161.8 Ų | 161.8 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -148.2 | 110.8 | 144.9 | -111.3 | 154.3 | -174.4 | 167.2 | 0 | 109.3 | ||||
| 324 | T | 46.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 164 Ų | 164 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75 | 141.4 | 173 | 36.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 325 | P | 47.9 | Very low | 40.1 | Very low | 120 Ų | 120 | 161 Ų | 161 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 146.1 | 158.4 | -19.9 | 33.7 | 0 | 0 | 0 | 110.4 | ||
| 326 | P | 49.5 | Very low | 40 | Very low | 127 Ų | 127 | 163.7 Ų | 163.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 162.8 | -164.6 | 31.5 | -36.6 | 0 | 0 | 0 | 115.5 | ||
| 327 | K | 38.2 | Very low | 39.6 | Very low | 198 Ų | 198 | 163.5 Ų | 163.5 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 144.4 | 176.1 | -174 | 173.6 | 179.3 | 177.5 | 0 | 112 | ||
| 328 | S | 37.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 158.7 Ų | 158.7 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -26 | 130.1 | 175 | 57 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 329 | Y | 37.1 | Very low | 38.7 | Very low | 214 Ų | 214 | 156.6 Ų | 156.6 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -123.1 | 154.8 | 148.3 | -167.4 | -102 | 0 | 0 | 0 | 109.8 | ||||
| 330 | S | 40.7 | Very low | 38.6 | Very low | 81 Ų | 81 | 160.2 Ų | 160.2 | 57% | 0.566 | 82% | 0.824 | S | S | * | * | trans | -100.1 | 166.9 | -172.5 | 64 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 331 | T | 41.2 | Very low | 38.4 | Very low | 122 Ų | 122 | 157.5 Ų | 157.5 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | -176 | 126.4 | 129.3 | 20.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 332 | A | 36.9 | Very low | 38.3 | Very low | 99 Ų | 99 | 155.5 Ų | 155.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -83.4 | 120.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 333 | R | 34.5 | Very low | 38.1 | Very low | 235 Ų | 235 | 158.9 Ų | 158.9 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -167.3 | 69.9 | 167.3 | -111.3 | 160.4 | -154.8 | -105.6 | 5.4 | 115.5 | ||||
| 334 | R | 31.6 | Very low | 38.1 | Very low | 250 Ų | 250 | 159.8 Ų | 159.8 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -165.5 | 104.6 | 134.4 | -116.3 | 175.6 | 177.7 | 117.8 | -2.2 | 113.1 | ||||
| 335 | S | 38 | Very low | 37.6 | Very low | 109 Ų | 109 | 165.4 Ų | 165.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -89.2 | 143.3 | 155.6 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 336 | R | 36.9 | Very low | 36.9 | Very low | 250 Ų | 250 | 171.7 Ų | 171.7 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -167.2 | 145.9 | 143.4 | -106.7 | 160.7 | -165.3 | 179.2 | 4.2 | 109.8 | ||||
| 337 | S | 35 | Very low | 36.2 | Very low | 120 Ų | 120 | 171.1 Ų | 171.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -108.5 | 150.7 | -165.1 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 338 | A | 33.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 173.3 Ų | 173.3 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -123.8 | 132.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 339 | S | 32.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 174.2 Ų | 174.2 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | -108.9 | 142.1 | -169.7 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 340 | R | 38.8 | Very low | 36.1 | Very low | 240 Ų | 240 | 167.7 Ų | 167.7 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | 159.4 | 83.6 | 150.3 | -86.9 | 152.4 | -170.6 | -169 | 3 | 107.9 | ||||
| 341 | E | 34.6 | Very low | 35.8 | Very low | 140 Ų | 140 | 170.4 Ų | 170.4 | 65% | 0.654 | 83% | 0.834 | S | S | * | * | 41.3 | 106.9 | 85.9 | 164.7 | 144.6 | -155.5 | 0 | 0 | 113.6 | |||||
| 342 | R | 34.2 | Very low | 35.6 | Very low | 192 Ų | 192 | 176.2 Ų | 176.2 | 73% | 0.725 | 84% | 0.843 | S | S | * | * | -172.2 | 123.8 | 103.6 | -93.5 | 177 | -171.7 | 169.7 | 4.5 | 113.5 | |||||
| 343 | R | 35 | Very low | 35.6 | Very low | 178 Ų | 178 | 176.6 Ų | 176.6 | 67% | 0.672 | 84% | 0.84 | S | S | * | * | trans | 58.1 | 126.1 | 132.7 | -62.7 | 167.6 | -169.2 | -165.9 | -2 | 117.6 | ||||
| 344 | R | 40.3 | Very low | 36.1 | Very low | 230 Ų | 230 | 171.7 Ų | 171.7 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | cis | -152.4 | 145.5 | 16.4 | -100.6 | 152.5 | 177.2 | 172.5 | -2.3 | 111.1 | ||||
| 345 | R | 35.7 | Very low | 36.5 | Very low | 249 Ų | 249 | 169.8 Ų | 169.8 | 94% | 0.94 | 84% | 0.836 | S | S | * | * | trans | -73.9 | 144.6 | 163.8 | -59.5 | 174.8 | 176.3 | 177.2 | -3.1 | 110.3 | ||||
| 346 | R | 33.1 | Very low | 36.7 | Very low | 252 Ų | 252 | 174.2 Ų | 174.2 | 95% | 0.951 | 84% | 0.842 | S | S | * | * | trans | -160.8 | 69.3 | 140.7 | -155.9 | 169.5 | -171.9 | 149.7 | 2.6 | 114.3 | ||||
| 347 | S | 35.3 | Very low | 37.2 | Very low | 114 Ų | 114 | 168.3 Ų | 168.3 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -96.7 | 129 | 149.4 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 348 | R | 35.2 | Very low | 37.3 | Very low | 244 Ų | 244 | 174.6 Ų | 174.6 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -171.4 | 117.8 | 159.9 | -113.6 | 171.7 | -176.4 | 176.4 | -0.9 | 109.2 | ||||
| 349 | S | 37 | Very low | 37.5 | Very low | 127 Ų | 127 | 174.7 Ų | 174.7 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -63.2 | 151.7 | 163.4 | 36.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 350 | G | 37.3 | Very low | 38.3 | Very low | 77 Ų | 77 | 175 Ų | 175 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | -163.5 | 122.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 351 | T | 34.9 | Very low | 38.3 | Very low | 138 Ų | 138 | 173.4 Ų | 173.4 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | trans | -84.3 | 135.8 | -174.4 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 352 | R | 36 | Very low | 38.7 | Very low | 245 Ų | 245 | 178.2 Ų | 178.2 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | trans | -179.2 | 157.4 | 139.3 | -101.5 | 158.7 | 176 | 176.3 | -1.9 | 112.5 | ||||
| 353 | S | 38.5 | Very low | 39 | Very low | 107 Ų | 107 | 178.8 Ų | 178.8 | 75% | 0.748 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 155 | -163.5 | -37.7 | 0 | 0 | 0 | 0 | 115 | ||
| 354 | P | 45.1 | Very low | 39.1 | Very low | 131 Ų | 131 | 179 Ų | 179 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 150.5 | 172 | 30.4 | -35.6 | 0 | 0 | 0 | 112.1 | ||
| 355 | K | 40 | Very low | 39.1 | Very low | 210 Ų | 210 | 173 Ų | 173 | 91% | 0.913 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 151.8 | 173.2 | -76.3 | -169.6 | 174.3 | -175.3 | 0 | 112 | ||
| 356 | K | 41 | Very low | 39.1 | Very low | 202 Ų | 202 | 172.3 Ų | 172.3 | 88% | 0.878 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 155.1 | -171.3 | -69.5 | -176.5 | 177.4 | -177 | 0 | 114 | ||
| 357 | P | 48.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 166 Ų | 166 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 159.8 | -179.8 | 32.3 | -37.5 | 0 | 0 | 0 | 113.5 | ||
| 358 | R | 35.3 | Very low | 39.6 | Very low | 252 Ų | 252 | 166.1 Ų | 166.1 | 95% | 0.951 | 85% | 0.851 | S | S | * | * | trans | -145.8 | 108.6 | 165.1 | -116.9 | -178.9 | 178.6 | 177.6 | -0.5 | 111.1 | ||||
| 359 | S | 39.1 | Very low | 39.6 | Very low | 110 Ų | 110 | 160 Ų | 160 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | trans | -106.2 | -171.1 | 157.1 | 67.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 360 | P | 49.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 159.6 Ų | 159.6 | 71% | 0.708 | 84% | 0.84 | S | S | * | * | cis | -131.5 | 147 | -16.2 | 36 | -20.7 | 0 | 0 | 0 | 113.6 | ||||
| 361 | K | 38.7 | Very low | 39.9 | Very low | 208 Ų | 208 | 167.8 Ų | 167.8 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | trans | -142 | 106.3 | 157.9 | -78.1 | -160.3 | 176.7 | -179.2 | 0 | 114.9 | ||||
| 362 | R | 41.7 | Very low | 39.9 | Very low | 240 Ų | 240 | 172.3 Ų | 172.3 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | trans | 33 | 108.5 | 140.8 | -66.3 | 169.5 | 67.7 | 152.6 | -1.9 | 119.9 | ||||
| 363 | K | 41.4 | Very low | 40.2 | Very low | 205 Ų | 205 | 169.5 Ų | 169.5 | 89% | 0.891 | 85% | 0.845 | S | S | * | * | trans | 14.3 | 130.9 | 130.2 | -56.3 | -96.6 | -170.4 | 172.6 | 0 | 118 | ||||
| 364 | L | 37.3 | Very low | 40 | Very low | 182 Ų | 182 | 171.9 Ų | 171.9 | 95% | 0.953 | 84% | 0.842 | S | S | * | * | trans | -144.8 | 152.7 | 135.9 | -144.4 | 74.3 | 0 | 0 | 0 | 110 | ||||
| 365 | S | 39.3 | Very low | 39.7 | Very low | 104 Ų | 104 | 175.7 Ų | 175.7 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | trans | -140 | 113.6 | -171 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 366 | R | 36.8 | Very low | 39.5 | Very low | 235 Ų | 235 | 172.7 Ų | 172.7 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -161.3 | 130.8 | 159.8 | -139.4 | 74.4 | 178.6 | -163.5 | -0.3 | 111.5 | ||||
| 367 | S | 36.2 | Very low | 39.6 | Very low | 118 Ų | 118 | 172.9 Ų | 172.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -105.9 | 136.5 | 153.6 | -57.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 368 | P | 43.1 | Very low | 39.1 | Very low | 117 Ų | 117 | 175.1 Ų | 175.1 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | trans | -141.1 | 130 | 139.6 | 32.6 | -16.8 | 0 | 0 | 0 | 113.6 | ||||
| 369 | S | 33.9 | Very low | 39.2 | Very low | 115 Ų | 115 | 172.7 Ų | 172.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -84.7 | -177.7 | 158.9 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 370 | P | 47.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 172.8 Ų | 172.8 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | cis | -128.9 | 160 | -48.5 | 33.9 | -19.8 | 0 | 0 | 0 | 112.3 | ||||
| 371 | R | 34.3 | Very low | 39.1 | Very low | 250 Ų | 250 | 177.2 Ų | 177.2 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | -156.7 | 100.4 | 165.6 | -119.4 | 171 | -173.1 | -162.5 | 0.7 | 118 | ||||
| 372 | R | 35.2 | Very low | 39 | Very low | 232 Ų | 232 | 174.1 Ų | 174.1 | 88% | 0.875 | 82% | 0.822 | S | S | * | * | 25.3 | 117.2 | 128.3 | -164.1 | -171 | -153.6 | -160.4 | 9.1 | 120.6 | |||||
| 373 | H | 41.2 | Very low | 38.9 | Very low | 186 Ų | 186 | 172.7 Ų | 172.7 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -148.2 | 113.6 | 142 | -96.5 | -94.1 | 0 | 0 | 0 | 106.9 | ||||
| 374 | K | 34 | Very low | 38.5 | Very low | 158 Ų | 158 | 171 Ų | 171 | 69% | 0.687 | 82% | 0.818 | S | S | * | * | 66.3 | 94.6 | 70.9 | -163.1 | -179.8 | -174.6 | 178.5 | 0 | 114.4 | E376 | K374-E376 WeakPolarHBondContact CE-OE1 3.39Å; K374-E376 IonicContact NZ-OE1 2.9Å; K374-E376 PolarHBondContact NZ-OE1 3.34Å | |||
| 375 | K | 40.3 | Very low | 38.2 | Very low | 211 Ų | 211 | 174.1 Ų | 174.1 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -147.1 | 129.9 | 145.1 | -164.7 | 163.7 | -171.8 | 169.9 | 0 | 109.9 | ||||
| 376 | E | 35 | Very low | 38 | Very low | 146 Ų | 146 | 173.6 Ų | 173.6 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -96 | 149.2 | -179 | -67 | 151.8 | -151 | 0 | 0 | 110.3 | K374 | K374-E376 WeakPolarHBondContact CE-OE1 3.39Å; K374-E376 IonicContact NZ-OE1 2.9Å; K374-E376 PolarHBondContact NZ-OE1 3.34Å | ||
| 377 | K | 42.4 | Very low | 38 | Very low | 206 Ų | 206 | 173.6 Ų | 173.6 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -154.6 | 106.7 | 153.6 | -166.4 | 168.4 | -174.3 | 175.9 | 0 | 110.2 | ||||
| 378 | K | 38.3 | Very low | 38.1 | Very low | 175 Ų | 175 | 173.8 Ų | 173.8 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -63.3 | 146 | 168 | -74.1 | -169.6 | 172.6 | -164.4 | 0 | 110.5 | ||||
| 379 | K | 38.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 177 Ų | 177 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | -154.1 | 111.8 | 134 | -170.6 | 168.4 | -175.1 | 174.5 | 0 | 109 | ||||
| 380 | D | 40.4 | Very low | 37.5 | Very low | 113 Ų | 113 | 181.3 Ų | 181.3 | 60% | 0.604 | 81% | 0.809 | S | S | * | * | trans | -75 | 145.3 | -177.6 | -43.1 | -88.7 | 0 | 0 | 0 | 110.6 | ||||
| 381 | K | 44.9 | Very low | 36.9 | Very low | 202 Ų | 202 | 184.5 Ų | 184.5 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -160.1 | 119.8 | 149.9 | -168 | 156.8 | -171 | 168.6 | 0 | 111 | ||||
| 382 | D | 36.2 | Very low | 36.7 | Very low | 143 Ų | 143 | 182.6 Ų | 182.6 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 148.4 | -172.3 | -44.7 | -87.4 | 0 | 0 | 0 | 112.9 | ||||
| 383 | K | 39.6 | Very low | 36.9 | Very low | 209 Ų | 209 | 176.1 Ų | 176.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -155 | 107 | 137.5 | -159.9 | 156 | -169.8 | 167.2 | 0 | 111 | ||||
| 384 | E | 33.6 | Very low | 36.7 | Very low | 170 Ų | 170 | 173.4 Ų | 173.4 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -64 | 154.1 | 174.6 | -58.8 | -177.5 | 124 | 0 | 0 | 112.5 | ||||
| 385 | R | 31.6 | Very low | 36.7 | Very low | 248 Ų | 248 | 170.4 Ų | 170.4 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -159 | 87.6 | 139.7 | -113.4 | 174 | -174.7 | -175.9 | 0.4 | 109.7 | ||||
| 386 | S | 35.6 | Very low | 36.5 | Very low | 93 Ų | 93 | 170.2 Ų | 170.2 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 148.9 | 162.3 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 387 | R | 36.1 | Very low | 36.5 | Very low | 235 Ų | 235 | 173.4 Ų | 173.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -159.4 | 79.7 | 145.4 | -149.5 | 171.9 | -164.8 | 171.5 | 5.1 | 111.5 | ||||
| 388 | D | 37.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 173.3 Ų | 173.3 | 65% | 0.647 | 80% | 0.802 | S | S | * | * | trans | 39.8 | 113.4 | 136.4 | -40.4 | -49.2 | 0 | 0 | 0 | 119.4 | ||||
| 389 | E | 33.2 | Very low | 36.3 | Very low | 186 Ų | 186 | 175.1 Ų | 175.1 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | 32.5 | 125.3 | 125.7 | -55.6 | -162.4 | 147.8 | 0 | 0 | 120.3 | |||||
| 390 | R | 32.3 | Very low | 36.4 | Very low | 205 Ų | 205 | 170.4 Ų | 170.4 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | -153.1 | 101.1 | 119.8 | -142.2 | 176.8 | -163.3 | -178.9 | 9.1 | 113.3 | |||||
| 391 | E | 34 | Very low | 36.3 | Very low | 185 Ų | 185 | 174.8 Ų | 174.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -74.7 | 145.9 | 153.8 | -68.7 | -153 | 155.1 | 0 | 0 | 110.1 | ||||
| 392 | R | 30.5 | Very low | 36 | Very low | 211 Ų | 211 | 171.7 Ų | 171.7 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -157.6 | 96.8 | 160.3 | -119.7 | 178.3 | -174.8 | -168.9 | -0.9 | 110.7 | ||||
| 393 | S | 39 | Very low | 36.2 | Very low | 95 Ų | 95 | 173.3 Ų | 173.3 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 156.5 | 165.5 | 54 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 394 | T | 36.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 170.5 Ų | 170.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 161.9 | 128.4 | 128.8 | 40.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 395 | S | 35.1 | Very low | 36.3 | Very low | 96 Ų | 96 | 170.4 Ų | 170.4 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 53.4 | 119 | 141.5 | 65.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 396 | K | 36.6 | Very low | 36.5 | Very low | 206 Ų | 206 | 164.2 Ų | 164.2 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | 58.6 | 113.6 | 122.4 | -58 | 173.5 | -177.7 | 175.5 | 0 | 120.8 | |||||
| 397 | K | 34.7 | Very low | 36.7 | Very low | 214 Ų | 214 | 172 Ų | 172 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | -155.9 | 145.8 | 120.8 | -148.3 | 162.5 | -174.4 | 171.4 | 0 | 112 | |||||
| 398 | K | 43.9 | Very low | 36.7 | Very low | 204 Ų | 204 | 167.1 Ų | 167.1 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -95.5 | 152.8 | 172.5 | -64 | -177.2 | 178.6 | -176.7 | 0 | 110.5 | ||||
| 399 | K | 33.1 | Very low | 36.7 | Very low | 213 Ų | 213 | 170.9 Ų | 170.9 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -149.3 | 145.5 | 140.8 | -160.5 | 166.2 | -176.4 | 178.2 | 0 | 110.1 | ||||
| 400 | S | 40.5 | Very low | 36.8 | Very low | 101 Ų | 101 | 169.6 Ų | 169.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -109.7 | 164.5 | -172.9 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 401 | K | 37.9 | Very low | 37 | Very low | 205 Ų | 205 | 165.2 Ų | 165.2 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -156 | 126.4 | 137.8 | -165.3 | 167.2 | -176.2 | 179.4 | 0 | 111.4 | ||||
| 402 | D | 38 | Very low | 37 | Very low | 136 Ų | 136 | 163 Ų | 163 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -82.5 | 150.2 | 171.3 | -70.3 | -87.6 | 0 | 0 | 0 | 112.6 | ||||
| 403 | K | 40.6 | Very low | 37.1 | Very low | 178 Ų | 178 | 158 Ų | 158 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | -164.9 | 122.8 | 123.8 | -96.9 | -162.8 | 169.9 | -165.5 | 0 | 107.2 | |||||
| 404 | E | 37.2 | Very low | 37.1 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 60.7 | 138.6 | 80.5 | -71.8 | -162.5 | 113.3 | 0 | 0 | 114.4 | |||||
| 405 | K | 38.8 | Very low | 37.2 | Very low | 167 Ų | 167 | 163.7 Ų | 163.7 | 73% | 0.726 | 78% | 0.777 | S | S | * | * | cis | -163.5 | 163.8 | -19.1 | -175.9 | 163.5 | 177.6 | -179.3 | 0 | 108.1 | ||||
| 406 | D | 35.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 166.3 Ų | 166.3 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -31.6 | 143.1 | 168 | -38 | -66.8 | 0 | 0 | 0 | 115.7 | ||||
| 407 | R | 40.7 | Very low | 37.1 | Very low | 256 Ų | 256 | 162.9 Ų | 162.9 | 97% | 0.966 | 78% | 0.78 | S | S | * | * | -146.1 | 128.5 | 126.4 | -109.4 | 162.3 | -164.5 | 165.1 | 5.4 | 110.2 | |||||
| 408 | E | 35.8 | Very low | 37.2 | Very low | 133 Ų | 133 | 161.7 Ų | 161.7 | 62% | 0.621 | 77% | 0.774 | S | S | * | * | trans | -96 | 169.8 | -172.8 | -49.6 | -176.1 | 81.5 | 0 | 0 | 113 | ||||
| 409 | R | 37.4 | Very low | 36.9 | Very low | 199 Ų | 199 | 160.4 Ų | 160.4 | 75% | 0.751 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 107.6 | 143.9 | -71.2 | 158.5 | -155.1 | -158.5 | 15.8 | 120.5 | ||||
| 410 | K | 34.8 | Very low | 37.1 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | 63.1 | 106.3 | 106.1 | -165.9 | -164.4 | -172 | -109.1 | 0 | 119.8 | E412 | K410-E412 IonicContact NZ-OE1 2.73Å; K410-E412 PolarHBondContact NZ-OE1 3.23Å; K410-E412 IonicContact NZ-OE2 3.73Å; K410-E412 PolarHBondContact NZ-OE2 3.41Å | |||
| 411 | S | 35.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -152.1 | 145.1 | 130.5 | 48.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 412 | E | 35.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | cis | 107.6 | 130.8 | 12.3 | -163.6 | 157 | -133 | 0 | 0 | 113.9 | K410 | K410-E412 IonicContact NZ-OE1 2.73Å; K410-E412 PolarHBondContact NZ-OE1 3.23Å; K410-E412 IonicContact NZ-OE2 3.73Å; K410-E412 PolarHBondContact NZ-OE2 3.41Å | ||
| 413 | S | 31.7 | Very low | 37.1 | Very low | 104 Ų | 104 | 156.1 Ų | 156.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 65.6 | 119.4 | 175 | 57.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 414 | D | 39.7 | Very low | 36.8 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 22.2 | 122.3 | 136.2 | -51.9 | -88.8 | 0 | 0 | 0 | 122.4 | ||||
| 415 | K | 37.3 | Very low | 37.1 | Very low | 200 Ų | 200 | 157 Ų | 157 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | -177.7 | 162.9 | 103.7 | -97.8 | 157.4 | -171.7 | 170.7 | 0 | 114.4 | |||||
| 416 | D | 35.2 | Very low | 37.5 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -62 | 154 | 179.3 | -49.9 | -107.3 | 0 | 0 | 0 | 114.6 | ||||
| 417 | V | 35.8 | Very low | 37.7 | Very low | 134 Ų | 134 | 159.1 Ų | 159.1 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -166 | 133.4 | 127.9 | 135.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 418 | K | 35.4 | Very low | 37.7 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 21.9 | 130.9 | 158.9 | -60 | -178 | 177.1 | -179.3 | 0 | 122.3 | ||||
| 419 | Q | 37.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -4.5 | 131.4 | 136.8 | -60.3 | 171.7 | -13 | 0 | 0 | 118.1 | ||||
| 420 | V | 38.4 | Very low | 37.7 | Very low | 138 Ų | 138 | 151 Ų | 151 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | -137.7 | 122 | 124.3 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | R422 | V420-R422 HydrophobicContact CG1-CB 4.49Š| |||
| 421 | T | 39.8 | Very low | 37.6 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -116.7 | 110.6 | 165.7 | 43.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 422 | R | 40.5 | Very low | 37.5 | Very low | 189 Ų | 189 | 156 Ų | 156 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -176.3 | 153.2 | 175.9 | -109.6 | -174.5 | 131.6 | 104.9 | 9.5 | 107.7 | V420 | V420-R422 HydrophobicContact CG1-CB 4.49Š| ||
| 423 | D | 35.4 | Very low | 37.8 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 56% | 0.561 | 78% | 0.777 | S | S | * | * | cis | -135.5 | 154.3 | 4.6 | -65.3 | -81.1 | 0 | 0 | 0 | 110.9 | ||||
| 424 | Y | 35.4 | Very low | 38.2 | Very low | 236 Ų | 236 | 158.2 Ų | 158.2 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -157.2 | 121.8 | 137.7 | -124.9 | -84.7 | 0 | 0 | 0 | 107.2 | ||||
| 425 | D | 43.6 | Very low | 38.1 | Very low | 109 Ų | 109 | 160.8 Ų | 160.8 | 58% | 0.583 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 145.5 | -169.5 | -67.5 | -32.4 | 0 | 0 | 0 | 112.4 | ||||
| 426 | E | 45.9 | Very low | 38.1 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | 63.5 | 125.3 | 76.8 | -122.2 | 167.3 | -128.7 | 0 | 0 | 109.8 | |||||
| 427 | E | 40.8 | Very low | 38.1 | Very low | 173 Ų | 173 | 161.9 Ų | 161.9 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | cis | -144.5 | 173.7 | 26.9 | -79.1 | 173.8 | 159.8 | 0 | 0 | 109.5 | ||||
| 428 | E | 40.4 | Very low | 38 | Very low | 162 Ų | 162 | 163 Ų | 163 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | cis | -166.5 | 174.9 | -27.2 | -167.9 | -172.2 | -146.1 | 0 | 0 | 105.8 | ||||
| 429 | Q | 40 | Very low | 37.8 | Very low | 183 Ų | 183 | 160.6 Ų | 160.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 114.7 | 174.8 | -57.5 | 177.6 | 79.5 | 0 | 0 | 115.3 | ||||
| 430 | G | 34.2 | Very low | 37.5 | Very low | 72 Ų | 72 | 158.9 Ų | 158.9 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | cis | 112.1 | 94.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 431 | Y | 31.6 | Very low | 37.3 | Very low | 239 Ų | 239 | 160.1 Ų | 160.1 | 94% | 0.937 | 76% | 0.762 | S | S | * | * | trans | -146.8 | 134.8 | 153.8 | -128.8 | -83.8 | 0 | 0 | 0 | 109 | ||||
| 432 | D | 34.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 163.2 Ų | 163.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -123.5 | 173.5 | -166.3 | 175.7 | 47.9 | 0 | 0 | 0 | 111.4 | ||||
| 433 | S | 40.5 | Very low | 37.5 | Very low | 94 Ų | 94 | 159.8 Ų | 159.8 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | 77.8 | 100.3 | 161.4 | -73.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 434 | E | 41.4 | Very low | 37.2 | Very low | 195 Ų | 195 | 162.4 Ų | 162.4 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -50.3 | 145.4 | 143.7 | -54.2 | 171.5 | 101.9 | 0 | 0 | 110.7 | ||||
| 435 | K | 36.2 | Very low | 37 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -157.3 | 122.3 | 153.2 | -148.6 | 158.3 | -172.1 | 166.5 | 0 | 115.1 | ||||
| 436 | E | 38.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 129.8 | 156.1 | -63.5 | -176.7 | 103.2 | 0 | 0 | 110.6 | ||||
| 437 | K | 35 | Very low | 35.5 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 179.3 | 123.2 | 119.6 | -99.3 | 167.1 | -177.6 | 178.9 | 0 | 113.6 | |||||
| 438 | K | 32.7 | Very low | 34.9 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | 39.5 | 134.2 | 112.8 | -147.1 | 176.6 | -178.7 | -105.3 | 0 | 119.6 | |||||
| 439 | E | 31.4 | Very low | 35.1 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 64% | 0.64 | 77% | 0.774 | S | S | * | * | trans | 78.5 | 108.4 | 151.4 | -87.8 | 153.1 | 179.1 | 0 | 0 | 121.7 | ||||
| 440 | E | 32 | Very low | 34.7 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | 72 | 147.3 | 126.7 | -76.8 | -159.7 | 118.1 | 0 | 0 | 124.3 | |||||
| 441 | K | 33.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 152 Ų | 152 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 70.9 | 105.6 | 149.8 | -73.3 | 154.4 | -175.7 | 150.7 | 0 | 120 | ||||
| 442 | K | 39 | Very low | 34.4 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -69 | 157.5 | 145.8 | -62.6 | -174 | 177 | -174 | 0 | 110.5 | ||||
| 443 | P | 45 | Very low | 34.1 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -123.4 | -160.7 | 95.3 | 30.1 | -16.4 | 0 | 0 | 0 | 110.5 | |||||
| 444 | I | 31 | Very low | 33.4 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | cis | -142.8 | 137.5 | 8.5 | -55.7 | 166.5 | 0 | 0 | 0 | 107 | ||||
| 445 | E | 29.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | -127.4 | -92.6 | -26.1 | -179 | -152.4 | 100 | 0 | 0 | 108.6 | G447 | E445-G447 PolarHBondContact OE1-N 2.92Š| ||
| 446 | T | 30 | Very low | 32.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -142.9 | 143.6 | -12.5 | 37.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 447 | G | 28.3 | Very low | 32 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 82.5 | 83.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | E445 | E445-G447 PolarHBondContact OE1-N 2.92Š| ||
| 448 | S | 29.6 | Very low | 31.8 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -103.3 | 166.5 | 160.9 | -125.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 449 | P | 44.2 | Very low | 31.6 | Very low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -152.1 | 177.7 | 46.5 | 45 | -25.3 | 0 | 0 | 0 | 118.4 | ||||
| 450 | K | 30.5 | Very low | 31.6 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 69.1 | 141.2 | 154.8 | -74.4 | 166.6 | -177 | 175.7 | 0 | 118.4 | ||||
| 451 | T | 27 | Very low | 31.5 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | cis | 176.2 | 154.8 | -31 | 27.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 452 | K | 32.2 | Very low | 31.4 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | 77.2 | 126.4 | 166.8 | -63.8 | 176.8 | -180 | -176.1 | 0 | 117.4 | ||||
| 453 | E | 29.7 | Very low | 31.1 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -72 | 146.6 | 156.7 | -51.3 | 166.4 | 117.7 | 0 | 0 | 109.9 | ||||
| 454 | C | 24.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | trans | -166.3 | 164.8 | 130.9 | -112.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 455 | S | 29.4 | Very low | 30.8 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -90.1 | -173.4 | -174.6 | 48 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 456 | V | 29.3 | Very low | 31.1 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | 108.3 | 100.4 | 157.5 | -174.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 457 | E | 28.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | trans | 63.4 | 147.7 | 141.3 | -76.5 | -159.5 | 174.1 | 0 | 0 | 125.8 | ||||
| 458 | K | 30.9 | Very low | 32.2 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 71.5 | 138.3 | 157.7 | -73.4 | 158 | -178.2 | 135.5 | 0 | 118.9 | ||||
| 459 | G | 28.1 | Very low | 32.6 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | 151.4 | 105.6 | -13.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 460 | T | 31.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -156.6 | 135.3 | 164.3 | 28.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 461 | G | 30.5 | Very low | 32.4 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | 80 | 120.6 | 85.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 462 | D | 29.7 | Very low | 33.4 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | cis | -159.3 | 162.4 | 18.2 | -170.8 | -121.2 | 0 | 0 | 0 | 114.6 | ||||
| 463 | S | 33 | Very low | 34.2 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 56% | 0.559 | 79% | 0.789 | S | S | * | * | trans | 36.8 | 135.6 | 157.9 | 63.6 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 464 | L | 33.8 | Very low | 35 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 56.2 | 138.6 | 142.3 | -85.6 | 59.7 | 0 | 0 | 0 | 119.9 | ||||
| 465 | R | 36.9 | Very low | 36.2 | Very low | 231 Ų | 231 | 140.1 Ų | 140.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | cis | -166 | 159.3 | 36.2 | -138.7 | 174.8 | -165.6 | -173.9 | 4.4 | 112.3 | ||||
| 466 | E | 35 | Very low | 37 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -102 | 138.6 | 170 | -65.6 | -178.8 | 94.3 | 0 | 0 | 113.5 | ||||
| 467 | S | 43.1 | Very low | 37.7 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -176.9 | 123.3 | 151.3 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 468 | K | 38.7 | Very low | 38.8 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | cis | 95.8 | 113.4 | 32.4 | -164 | -178.4 | -172.2 | 176.5 | 0 | 113.9 | ||||
| 469 | V | 36.8 | Very low | 39.9 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | trans | 86.4 | 120.7 | 150.5 | 145.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 470 | N | 36.1 | Very low | 40.7 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 54.1 | 157.1 | 140.8 | -54.4 | 4.1 | 0 | 0 | 0 | 124.9 | ||||
| 471 | G | 35.8 | Very low | 41.9 | Very low | 68 Ų | 68 | 150.1 Ų | 150.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 120.8 | 105.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 472 | D | 47.7 | Very low | 43 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | cis | 54.4 | 85.7 | 20.5 | -160.6 | 35.8 | 0 | 0 | 0 | 113.5 | ||||
| 473 | D | 48.8 | Very low | 43.7 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | trans | -145.6 | 102.5 | 163.5 | -151.2 | -13.1 | 0 | 0 | 0 | 108.7 | ||||
| 474 | H | 47 | Very low | 44.2 | Very low | 170 Ų | 170 | 160.2 Ų | 160.2 | 79% | 0.787 | 83% | 0.829 | S | S | * | * | trans | -84.1 | 117.6 | 169 | -108.5 | -89.2 | 0 | 0 | 0 | 107.3 | ||||
| 475 | H | 48.6 | Very low | 44.8 | Very low | 166 Ų | 166 | 160.6 Ų | 160.6 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -128.9 | 132.7 | 165.2 | -130 | -76.5 | 0 | 0 | 0 | 113 | ||||
| 476 | E | 45.8 | Very low | 45.2 | Very low | 166 Ų | 166 | 156.7 Ų | 156.7 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -95.9 | 132.1 | -178 | -57.8 | 171 | 165.3 | 0 | 0 | 108.5 | ||||
| 477 | E | 45.7 | Very low | 45.8 | Very low | 194 Ų | 194 | 154.6 Ų | 154.6 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -130.5 | 122.2 | 158.9 | -70.9 | -159.6 | 154.3 | 0 | 0 | 109.5 | ||||
| 478 | D | 50.7 | Low | 46 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -86.7 | 178.3 | -177.4 | -107.2 | -38.4 | 0 | 0 | 0 | 111.9 | ||||
| 479 | M | 53.5 | Low | 46.5 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | 82.2 | 142.3 | 164.9 | -40.9 | -171.7 | -166.5 | 0 | 0 | 115.6 | ||||
| 480 | D | 45.4 | Very low | 47.2 | Very low | 135 Ų | 135 | 157.4 Ų | 157.4 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | -144.4 | 152 | 5.2 | -139.3 | -21.4 | 0 | 0 | 0 | 112 | ||||
| 481 | M | 58.1 | Low | 48 | Very low | 185 Ų | 185 | 157.6 Ų | 157.6 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | trans | -128.2 | 141.5 | 165.7 | -87 | -157.8 | 178.1 | 0 | 0 | 109.2 | ||||
| 482 | S | 53.8 | Low | 49 | Very low | 112 Ų | 112 | 165.1 Ų | 165.1 | 78% | 0.783 | 85% | 0.845 | S | S | * | * | trans | -146.3 | 145.6 | 178.3 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 483 | D | 43.3 | Very low | 49.2 | Very low | 245 Ų | 245 | 166.5 Ų | 166.5 | 100% | 1.31 | 85% | 0.849 | S | S | * | * | trans | -31.8 | 0 | -179.4 | -90.1 | -74.3 | 0 | 0 | 0 | 116.8 |
Retrieved 483 of 483 residues in 1131.3 ms
(Link to these results)