| 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 | 38.7 | Very low | 38.1 | Very low | 238 Ų | 238 | 153.2 Ų | 153.2 | 100% | 1.172 | 84% | 0.843 | S | S | * | * | 0 | 155 | 0 | -75.9 | 175.3 | 165.7 | 0 | 0 | 108.8 | |||||
| 2 | H | 34.8 | Very low | 38.3 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 88% | 0.88 | 84% | 0.837 | S | S | * | * | trans | 39.7 | 118.8 | 169.9 | -74.6 | -80.5 | 0 | 0 | 0 | 122.1 | ||||
| 3 | R | 31.8 | Very low | 38.4 | Very low | 236 Ų | 236 | 150.3 Ų | 150.3 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -80.9 | 150.3 | 177.6 | 170.7 | -169.5 | -169.2 | 174.6 | 5.3 | 112.5 | ||||
| 4 | A | 38.2 | Very low | 38.5 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | 70.7 | 157.7 | 165 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 5 | T | 40.9 | Very low | 38.7 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 83% | 0.826 | S | S | * | * | cis | -140.6 | 152.6 | 23.3 | 50.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 6 | S | 39.8 | Very low | 39.4 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 53.1 | 117.4 | 145.1 | 61.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 7 | G | 41.2 | Very low | 39.7 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -166.6 | 126.3 | 163 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | F | 36.1 | Very low | 40.2 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -40.2 | 146.6 | -172.3 | -70.4 | -99.3 | 0 | 0 | 0 | 118.5 | ||||
| 9 | P | 39.3 | Very low | 40.5 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -78.2 | 143.3 | 164 | 34.2 | -32.9 | 0 | 0 | 0 | 111.4 | ||||
| 10 | V | 42.5 | Very low | 40.8 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -129.3 | 122.5 | 165.2 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | A12 | V10-A12 PolarHBondContact O-N 3.26Š| ||
| 11 | E | 35.5 | Very low | 41.3 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | trans | -71 | 122.3 | 177.6 | -73.6 | -169.4 | 80.5 | 0 | 0 | 111.4 | K13 | E11-K13 IonicContact OE1-NZ 2.62Å; E11-K13 PolarHBondContact OE1-NZ 3.2Å | ||
| 12 | A | 40.5 | Very low | 41.7 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -129 | 83.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V10 S14 | V10-A12 PolarHBondContact O-N 3.26Å; A12-S14 PolarHBondContact O-N 2.8Å | ||
| 13 | K | 40.1 | Very low | 42.1 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -69 | 90.6 | 177.3 | -72.9 | -174.8 | 169.3 | 91.4 | 0 | 110.4 | E11 A15 | E11-K13 IonicContact OE1-NZ 2.62Å; E11-K13 PolarHBondContact OE1-NZ 3.2Å; K13-A15 PolarHBondContact O-N 3.32Å | ||
| 14 | S | 40.4 | Very low | 43.2 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -77 | 99.6 | 169.9 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | A12 V16 | A12-S14 PolarHBondContact O-N 2.8Å; S14-V16 PolarHBondContact O-N 3.15Å; S14-V16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | A | 41 | Very low | 44.2 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | -76.2 | 94.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | K13 G17 | K13-A15 PolarHBondContact O-N 3.32Å; A15-G17 PolarHBondContact O-N 2.68Å | ||
| 16 | V | 50.1 | Low | 45 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | trans | -72.9 | 113.7 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 108 | S14 | S14-V16 PolarHBondContact O-N 3.15Å; S14-V16 VanDerWaalsContact O-N 3.11Å | ||
| 17 | G | 43.8 | Very low | 46.2 | Very low | 51 Ų | 51 | 120 Ų | 120 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 155.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A15 | A15-G17 PolarHBondContact O-N 2.68Š|
| 18 | P | 49 | Very low | 47.2 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139.8 | -176 | 25.8 | -34.5 | 0 | 0 | 0 | 111.9 | ||
| 19 | T | 46.4 | Very low | 48.9 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 147.3 | 178.9 | 37.5 | 0 | 0 | 0 | 0 | 112.1 | G21 | T19-G21 PolarHBondContact O-N 3.34Š|
| 20 | F | 47 | Very low | 50.5 | Low | 206 Ų | 206 | 111.2 Ų | 111.2 | 90% | 0.904 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 4.1 | -172.8 | -122.9 | -96.4 | 0 | 0 | 0 | 116.4 | ||
| 21 | G | 49.8 | Very low | 52.1 | Low | 45 Ų | 45 | 109.3 Ų | 109.3 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | -41.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | T19 C23 S24 | T19-G21 PolarHBondContact O-N 3.34Å; G21-C23 PolarHBondContact O-N 2.94Å; G21-S24 WeakPolarHBondContact O-CB 3.31Å; G21-S24 PolarHBondContact O-N 3.24Å |
| 22 | D | 47.9 | Very low | 54 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -36.1 | -165.6 | -54.2 | -66.3 | 0 | 0 | 0 | 112.7 | S24 R25 | D22-S24 PolarHBondContact O-N 3.15Å; D22-S24 VanDerWaalsContact O-N 3.13Å; D22-R25 PolarHBondContact O-N 2.69Å |
| 23 | C | 42.9 | Very low | 55.8 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.5 | -28 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | G21 R25 L27 | G21-C23 PolarHBondContact O-N 2.94Å; C23-R25 VanDerWaalsContact C-N 3.31Å; C23-R25 PolarHBondContact O-N 3.4Å; C23-L27 WeakPolarHBondContact O-CD1 3.47Å; C23-L27 PolarHBondContact O-N 3.46Å |
| 24 | S | 55.7 | Low | 57.8 | Low | 74 Ų | 74 | 101.5 Ų | 101.5 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71 | -25.5 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 113 | G21 D22 C28 | G21-S24 WeakPolarHBondContact O-CB 3.31Å; G21-S24 PolarHBondContact O-N 3.24Å; D22-S24 PolarHBondContact O-N 3.15Å; D22-S24 VanDerWaalsContact O-N 3.13Å; S24-C28 PolarHBondContact O-N 2.96Å; S24-C28 PolarHBondContact O-SG 3.29Å |
| 25 | R | 58.3 | Low | 59.8 | Low | 190 Ų | 190 | 101.4 Ų | 101.4 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.9 | -43.6 | 178.9 | -85.1 | 179.9 | 158.8 | 165.5 | -7.4 | 112.2 | D22 C23 L27 C28 T29 | D22-R25 PolarHBondContact O-N 2.69Å; C23-R25 VanDerWaalsContact C-N 3.31Å; C23-R25 PolarHBondContact O-N 3.4Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 2.87Å; R25-C28 PolarHBondContact O-N 3.01Å; R25-C28 VanDerWaalsContact O-N 3.12Å; R25-T29 PolarHBondContact O-N 3.34Å; R25-T29 PolarHBondContact O-OG1 3.45Å |
| 26 | E | 57.7 | Low | 61.8 | Low | 147 Ų | 147 | 102.3 Ų | 102.3 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.3 | -31.9 | 176.5 | -64.1 | -172.2 | 163 | 0 | 0 | 112.1 | T29 S30 | E26-T29 PolarHBondContact O-OG1 2.87Å; E26-S30 WeakPolarHBondContact O-CB 3.34Å; E26-S30 PolarHBondContact O-N 3.42Å; E26-S30 VanDerWaalsContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 2.76Å |
| 27 | L | 64.4 | Low | 63.3 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | 167.6 | -98.3 | 100.1 | 0 | 0 | 0 | 112.8 | C23 R25 S30 I31 | C23-L27 WeakPolarHBondContact O-CD1 3.47Å; C23-L27 PolarHBondContact O-N 3.46Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 2.87Å; L27-S30 WeakPolarHBondContact CA-OG 3.4Å; L27-S30 PolarHBondContact O-OG 3.44Å; L27-S30 VanDerWaalsContact O-OG 3.13Å; L27-I31 WeakPolarHBondContact O-CB 3.33Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 2.98Å |
| 28 | C | 62.4 | Low | 65.3 | Low | 69 Ų | 69 | 100.6 Ų | 100.6 | 47% | 0.466 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -47.7 | 178 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | S24 R25 S30 I31 E32 | S24-C28 PolarHBondContact O-N 2.96Å; S24-C28 PolarHBondContact O-SG 3.29Å; R25-C28 PolarHBondContact O-N 3.01Å; R25-C28 VanDerWaalsContact O-N 3.12Å; C28-S30 PolarHBondContact O-N 2.98Å; C28-I31 PolarHBondContact O-N 3.45Å; C28-E32 WeakPolarHBondContact O-CG 3.24Å; C28-E32 PolarHBondContact O-N 2.85Å |
| 29 | T | 71.8 | Confident | 67 | Low | 84 Ų | 84 | 100.4 Ų | 100.4 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -33 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | R25 E26 A33 | R25-T29 PolarHBondContact O-N 3.34Å; R25-T29 PolarHBondContact O-OG1 3.45Å; E26-T29 PolarHBondContact O-OG1 2.87Å; T29-A33 WeakPolarHBondContact O-CB 3.28Å; T29-A33 PolarHBondContact O-N 2.86Å |
| 30 | S | 72.9 | Confident | 68.8 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 44% | 0.441 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 172.3 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | E26 L27 C28 V34 | E26-S30 WeakPolarHBondContact O-CB 3.34Å; E26-S30 PolarHBondContact O-N 3.42Å; E26-S30 VanDerWaalsContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 2.76Å; L27-S30 WeakPolarHBondContact CA-OG 3.4Å; L27-S30 PolarHBondContact O-OG 3.44Å; L27-S30 VanDerWaalsContact O-OG 3.13Å; C28-S30 PolarHBondContact O-N 2.98Å; S30-V34 WeakPolarHBondContact O-CB 3.39Å; S30-V34 VanDerWaalsContact O-CG2 3.27Å; S30-V34 WeakPolarHBondContact O-CG2 3.29Å; S30-V34 PolarHBondContact O-N 3.21Å; S30-V34 VanDerWaalsContact O-N 3.09Å |
| 31 | I | 76.2 | Confident | 70.7 | Confident | 94 Ų | 94 | 96.9 Ų | 96.9 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 171.8 | -70.7 | 165.2 | 0 | 0 | 0 | 110.9 | L27 C28 V34 L35 | L27-I31 WeakPolarHBondContact O-CB 3.33Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 2.98Å; C28-I31 PolarHBondContact O-N 3.45Å; I31-V34 PolarHBondContact O-N 3.21Å; I31-L35 HydrophobicContact CG2-CD1 3.99Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.91Å |
| 32 | E | 75.7 | Confident | 72.4 | Confident | 122 Ų | 122 | 99.7 Ų | 99.7 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 177 | -73.5 | 168.5 | 169.1 | 0 | 0 | 111.4 | C28 V34 L35 E36 | C28-E32 WeakPolarHBondContact O-CG 3.24Å; C28-E32 PolarHBondContact O-N 2.85Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.16Å; E32-L35 PolarHBondContact O-N 3.28Å; E32-E36 PolarHBondContact O-N 2.88Å |
| 33 | A | 77.5 | Confident | 74.2 | Confident | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T29 S37 | T29-A33 WeakPolarHBondContact O-CB 3.28Å; T29-A33 PolarHBondContact O-N 2.86Å; A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.28Å |
| 34 | V | 81.9 | Confident | 76.1 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 173.9 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | S30 I31 E32 S37 V38 | S30-V34 WeakPolarHBondContact O-CB 3.39Å; S30-V34 VanDerWaalsContact O-CG2 3.27Å; S30-V34 WeakPolarHBondContact O-CG2 3.29Å; S30-V34 PolarHBondContact O-N 3.21Å; S30-V34 VanDerWaalsContact O-N 3.09Å; I31-V34 PolarHBondContact O-N 3.21Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.16Å; V34-S37 PolarHBondContact O-N 3.47Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.44Å; V34-V38 PolarHBondContact O-N 3.03Å |
| 35 | L | 82.6 | Confident | 77.6 | Confident | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.2 | -71.7 | 169.9 | 0 | 0 | 0 | 111.4 | I31 E32 S37 V38 E39 | I31-L35 HydrophobicContact CG2-CD1 3.99Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.91Å; E32-L35 PolarHBondContact O-N 3.28Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.4Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-V38 VanDerWaalsContact O-N 3.09Å; L35-E39 PolarHBondContact O-N 2.99Å |
| 36 | E | 82.8 | Confident | 79 | Confident | 120 Ų | 120 | 94.6 Ų | 94.6 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.3 | -41.4 | 176.5 | -172.9 | 174.8 | -165.1 | 0 | 0 | 111.8 | E32 V38 E39 Q40 | E32-E36 PolarHBondContact O-N 2.88Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.06Å; E36-E39 PolarHBondContact O-N 3Å; E36-Q40 WeakPolarHBondContact O-CG 3.48Å; E36-Q40 PolarHBondContact O-N 3.47Å |
| 37 | S | 82.7 | Confident | 80.4 | Confident | 76 Ų | 76 | 91 Ų | 91 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -33.9 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 113.2 | A33 V34 L35 L41 | A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.28Å; V34-S37 PolarHBondContact O-N 3.47Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.4Å; S37-L41 WeakPolarHBondContact O-CB 3.34Å; S37-L41 PolarHBondContact O-N 2.93Å; S37-L41 VanDerWaalsContact O-N 3.13Å |
| 38 | V | 86.1 | Confident | 81.3 | Confident | 69 Ų | 69 | 90.8 Ų | 90.8 | 42% | 0.418 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.3 | -38 | 175.4 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | V34 L35 E36 L41 L42 | V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.44Å; V34-V38 PolarHBondContact O-N 3.03Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-V38 VanDerWaalsContact O-N 3.09Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.06Å; V38-L41 PolarHBondContact O-N 3.32Å; V38-L42 HydrophobicContact CG1-CD1 3.97Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.38Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.97Å |
| 39 | E | 84.5 | Confident | 82.4 | Confident | 128 Ų | 128 | 91.3 Ų | 91.3 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 174 | -72.8 | -171.6 | 164.7 | 0 | 0 | 111.5 | L35 E36 L41 L42 I43 | L35-E39 PolarHBondContact O-N 2.99Å; E36-E39 PolarHBondContact O-N 3Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.24Å; E39-L42 PolarHBondContact O-N 3.38Å; E39-I43 VanDerWaalsContact O-CG1 3.26Å; E39-I43 WeakPolarHBondContact O-CG1 3.26Å; E39-I43 PolarHBondContact O-N 3.43Å |
| 40 | Q | 84.3 | Confident | 82.9 | Confident | 122 Ų | 122 | 89.5 Ų | 89.5 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 174.4 | -70.1 | -178.5 | 25.8 | 0 | 0 | 112.5 | E36 I43 S44 | E36-Q40 WeakPolarHBondContact O-CG 3.48Å; E36-Q40 PolarHBondContact O-N 3.47Å; Q40-I43 PolarHBondContact O-N 3.37Å; Q40-S44 PolarHBondContact O-N 3.25Å |
| 41 | L | 86.8 | Confident | 83.4 | Confident | 114 Ų | 114 | 90.7 Ų | 90.7 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 175.6 | -172.1 | 69.4 | 0 | 0 | 0 | 111.9 | S37 V38 E39 S44 V45 | S37-L41 WeakPolarHBondContact O-CB 3.34Å; S37-L41 PolarHBondContact O-N 2.93Å; S37-L41 VanDerWaalsContact O-N 3.13Å; V38-L41 PolarHBondContact O-N 3.32Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.24Å; L41-S44 PolarHBondContact O-N 3.09Å; L41-V45 WeakPolarHBondContact O-CG2 3.41Å; L41-V45 PolarHBondContact O-N 2.94Å |
| 42 | L | 85.5 | Confident | 83.7 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 176.1 | -74.4 | 169.1 | 0 | 0 | 0 | 111.8 | V38 E39 V45 V46 | V38-L42 HydrophobicContact CG1-CD1 3.97Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.38Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.97Å; E39-L42 PolarHBondContact O-N 3.38Å; L42-V45 PolarHBondContact O-N 2.89Å; L42-V46 WeakPolarHBondContact O-CB 3.22Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.25Å |
| 43 | I | 86 | Confident | 83.8 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.7 | -47.8 | 174.6 | -69.6 | 163 | 0 | 0 | 0 | 110.2 | E39 Q40 V45 V46 V47 | E39-I43 VanDerWaalsContact O-CG1 3.26Å; E39-I43 WeakPolarHBondContact O-CG1 3.26Å; E39-I43 PolarHBondContact O-N 3.43Å; Q40-I43 PolarHBondContact O-N 3.37Å; I43-V45 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 3Å; I43-V47 HydrophobicContact CG2-CG2 4.49Å; I43-V47 WeakPolarHBondContact O-CG2 3.26Å; I43-V47 PolarHBondContact O-N 2.91Å |
| 44 | S | 83.4 | Confident | 84 | Confident | 57 Ų | 57 | 93.5 Ų | 93.5 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | Q40 L41 V47 N48 | Q40-S44 PolarHBondContact O-N 3.25Å; L41-S44 PolarHBondContact O-N 3.09Å; S44-V47 PolarHBondContact O-N 3.41Å; S44-N48 WeakPolarHBondContact O-CB 3.49Å; S44-N48 PolarHBondContact O-N 3.35Å; S44-N48 PolarHBondContact O-OD1 3.13Å |
| 45 | V | 86.9 | Confident | 83.9 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L41 L42 I43 I49 | L41-V45 WeakPolarHBondContact O-CG2 3.41Å; L41-V45 PolarHBondContact O-N 2.94Å; L42-V45 PolarHBondContact O-N 2.89Å; I43-V45 PolarHBondContact O-N 3.44Å; V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 WeakPolarHBondContact O-CB 3.48Å; V45-I49 WeakPolarHBondContact O-CD1 3.37Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.31Å; V45-I49 PolarHBondContact O-N 2.98Å |
| 46 | V | 86.6 | Confident | 83.7 | Confident | 98 Ų | 98 | 94.3 Ų | 94.3 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | L42 I43 I49 A50 | L42-V46 WeakPolarHBondContact O-CB 3.22Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.25Å; I43-V46 PolarHBondContact O-N 3Å; V46-I49 PolarHBondContact O-N 3.35Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.46Å |
| 47 | V | 87.4 | Confident | 83.1 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | I43 S44 I49 A50 D51 | I43-V47 HydrophobicContact CG2-CG2 4.49Å; I43-V47 WeakPolarHBondContact O-CG2 3.26Å; I43-V47 PolarHBondContact O-N 2.91Å; S44-V47 PolarHBondContact O-N 3.41Å; V47-I49 VanDerWaalsContact C-N 3.28Å; V47-I49 PolarHBondContact O-N 2.86Å; V47-A50 WeakPolarHBondContact O-CB 3.46Å; V47-A50 PolarHBondContact O-N 3.41Å; V47-D51 PolarHBondContact O-N 3.01Å |
| 48 | N | 84.1 | Confident | 82.6 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 179 | -67.3 | -0.2 | 0 | 0 | 0 | 112.5 | S44 E52 | S44-N48 WeakPolarHBondContact O-CB 3.49Å; S44-N48 PolarHBondContact O-N 3.35Å; S44-N48 PolarHBondContact O-OD1 3.13Å; N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 3.04Å |
| 49 | I | 84 | Confident | 81.9 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 175.9 | -69.5 | 167.7 | 0 | 0 | 0 | 111.4 | V45 V46 V47 M53 | V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 WeakPolarHBondContact O-CB 3.48Å; V45-I49 WeakPolarHBondContact O-CD1 3.37Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.31Å; V45-I49 PolarHBondContact O-N 2.98Å; V46-I49 PolarHBondContact O-N 3.35Å; V47-I49 VanDerWaalsContact C-N 3.28Å; V47-I49 PolarHBondContact O-N 2.86Å; I49-M53 HydrophobicContact CG2-CG 4.46Å; I49-M53 HydrophobicContact CG2-SD 4.23Å; I49-M53 WeakPolarHBondContact O-CB 3.41Å; I49-M53 VanDerWaalsContact O-CG 3.29Å; I49-M53 WeakPolarHBondContact O-CG 3.27Å; I49-M53 PolarHBondContact O-N 3.49Å |
| 50 | A | 83.1 | Confident | 81 | Confident | 46 Ų | 46 | 91 Ų | 91 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V46 V47 E52 M53 D54 | V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.46Å; V47-A50 WeakPolarHBondContact O-CB 3.46Å; V47-A50 PolarHBondContact O-N 3.41Å; A50-E52 VanDerWaalsContact C-N 3.32Å; A50-E52 PolarHBondContact O-N 3.09Å; A50-M53 PolarHBondContact O-N 2.92Å; A50-D54 PolarHBondContact O-N 3.42Å |
| 51 | D | 82.5 | Confident | 80.2 | Confident | 89 Ų | 89 | 89 Ų | 89 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175.6 | -68.7 | -25.5 | 0 | 0 | 0 | 111.4 | V47 N55 | V47-D51 PolarHBondContact O-N 3.01Å; D51-N55 WeakPolarHBondContact O-CB 3.45Å; D51-N55 PolarHBondContact O-N 3.01Å; D51-N55 PolarHBondContact O-ND2 2.95Å |
| 52 | E | 82.7 | Confident | 78.9 | Confident | 127 Ų | 127 | 89.1 Ų | 89.1 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -40.3 | 176.3 | -170.3 | 170.7 | -149.9 | 0 | 0 | 112 | N48 A50 N55 I56 | N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 3.04Å; A50-E52 VanDerWaalsContact C-N 3.32Å; A50-E52 PolarHBondContact O-N 3.09Å; E52-N55 PolarHBondContact O-N 3.39Å; E52-I56 HydrophobicContact CG-CD1 4.27Å; E52-I56 VanDerWaalsContact O-CG1 3.29Å; E52-I56 WeakPolarHBondContact O-CG1 3.47Å; E52-I56 PolarHBondContact O-N 3Å |
| 53 | M | 79.4 | Confident | 77.4 | Confident | 97 Ų | 97 | 88 Ų | 88 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 174.3 | -77.6 | -175.9 | 62.9 | 0 | 0 | 112.6 | I49 A50 I56 N57 | I49-M53 HydrophobicContact CG2-CG 4.46Å; I49-M53 HydrophobicContact CG2-SD 4.23Å; I49-M53 WeakPolarHBondContact O-CB 3.41Å; I49-M53 VanDerWaalsContact O-CG 3.29Å; I49-M53 WeakPolarHBondContact O-CG 3.27Å; I49-M53 PolarHBondContact O-N 3.49Å; A50-M53 PolarHBondContact O-N 2.92Å; M53-I56 PolarHBondContact O-N 3.2Å; M53-N57 WeakPolarHBondContact O-CB 3.38Å; M53-N57 PolarHBondContact O-N 3.41Å; M53-N57 PolarHBondContact O-ND2 3.29Å; M53-N57 VanDerWaalsContact O-ND2 3.16Å |
| 54 | D | 80.7 | Confident | 75.8 | Confident | 107 Ų | 107 | 91.3 Ų | 91.3 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.8 | -33.2 | 177.8 | -79.9 | -15.2 | 0 | 0 | 0 | 112.1 | A50 N57 A58 | A50-D54 PolarHBondContact O-N 3.42Å; D54-N57 PolarHBondContact O-N 3Å; D54-A58 WeakPolarHBondContact O-CB 3.31Å; D54-A58 PolarHBondContact O-N 3.39Å |
| 55 | N | 80.9 | Confident | 74 | Confident | 110 Ų | 110 | 92.8 Ų | 92.8 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 168.4 | -82.4 | -70.6 | 0 | 0 | 0 | 112.2 | D51 E52 A58 V59 | D51-N55 WeakPolarHBondContact O-CB 3.45Å; D51-N55 PolarHBondContact O-N 3.01Å; D51-N55 PolarHBondContact O-ND2 2.95Å; E52-N55 PolarHBondContact O-N 3.39Å; N55-A58 PolarHBondContact O-N 3.04Å; N55-V59 WeakPolarHBondContact O-CG2 3.3Å; N55-V59 PolarHBondContact O-N 3.1Å |
| 56 | I | 76.9 | Confident | 71.4 | Confident | 92 Ų | 92 | 95 Ų | 95 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.9 | -70 | 163.9 | 0 | 0 | 0 | 110.7 | E52 M53 A58 V59 L60 | E52-I56 HydrophobicContact CG-CD1 4.27Å; E52-I56 VanDerWaalsContact O-CG1 3.29Å; E52-I56 WeakPolarHBondContact O-CG1 3.47Å; E52-I56 PolarHBondContact O-N 3Å; M53-I56 PolarHBondContact O-N 3.2Å; I56-A58 VanDerWaalsContact C-N 3.33Å; I56-A58 PolarHBondContact O-N 3.35Å; I56-V59 PolarHBondContact O-N 3.37Å; I56-L60 HydrophobicContact CG2-CD1 4.06Å; I56-L60 WeakPolarHBondContact O-CG 3.39Å; I56-L60 PolarHBondContact O-N 3.4Å |
| 57 | N | 71 | Confident | 69.1 | Low | 75 Ų | 75 | 95 Ų | 95 | 40% | 0.401 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176.3 | -70 | -31.7 | 0 | 0 | 0 | 111.9 | M53 D54 L60 S61 | M53-N57 WeakPolarHBondContact O-CB 3.38Å; M53-N57 PolarHBondContact O-N 3.41Å; M53-N57 PolarHBondContact O-ND2 3.29Å; M53-N57 VanDerWaalsContact O-ND2 3.16Å; D54-N57 PolarHBondContact O-N 3Å; N57-L60 PolarHBondContact O-N 3.42Å; N57-S61 WeakPolarHBondContact O-CB 3.33Å; N57-S61 PolarHBondContact O-N 3.43Å; N57-S61 PolarHBondContact O-OG 3.13Å |
| 58 | A | 72.4 | Confident | 66.5 | Low | 48 Ų | 48 | 99.7 Ų | 99.7 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D54 N55 I56 S61 N62 | D54-A58 WeakPolarHBondContact O-CB 3.31Å; D54-A58 PolarHBondContact O-N 3.39Å; N55-A58 PolarHBondContact O-N 3.04Å; I56-A58 VanDerWaalsContact C-N 3.33Å; I56-A58 PolarHBondContact O-N 3.35Å; A58-S61 PolarHBondContact O-N 3.26Å; A58-N62 VanDerWaalsContact O-CG 3.31Å; A58-N62 PolarHBondContact O-N 3.39Å; A58-N62 VanDerWaalsContact O-N 3.15Å; A58-N62 PolarHBondContact O-ND2 3.1Å; A58-N62 VanDerWaalsContact O-ND2 3.15Å |
| 59 | V | 72 | Confident | 64.6 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 62% | 0.624 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.2 | -43.8 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | N55 I56 N62 S63 | N55-V59 WeakPolarHBondContact O-CG2 3.3Å; N55-V59 PolarHBondContact O-N 3.1Å; I56-V59 PolarHBondContact O-N 3.37Å; V59-N62 PolarHBondContact O-N 3.3Å; V59-S63 PolarHBondContact O-N 2.91Å |
| 60 | L | 65.6 | Low | 62.7 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.9 | -45.6 | 175.5 | -70.7 | 171 | 0 | 0 | 0 | 111.8 | I56 N57 N62 S63 | I56-L60 HydrophobicContact CG2-CD1 4.06Å; I56-L60 WeakPolarHBondContact O-CG 3.39Å; I56-L60 PolarHBondContact O-N 3.4Å; N57-L60 PolarHBondContact O-N 3.42Å; L60-N62 PolarHBondContact O-N 2.83Å; L60-S63 WeakPolarHBondContact O-CB 3.43Å; L60-S63 PolarHBondContact O-N 2.9Å; L60-S63 PolarHBondContact O-OG 3.36Å |
| 61 | S | 67.2 | Low | 60.7 | Low | 80 Ų | 80 | 117.4 Ų | 117.4 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.2 | -34.9 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112.8 | N57 A58 | N57-S61 WeakPolarHBondContact O-CB 3.33Å; N57-S61 PolarHBondContact O-N 3.43Å; N57-S61 PolarHBondContact O-OG 3.13Å; A58-S61 PolarHBondContact O-N 3.26Å |
| 62 | N | 59.5 | Low | 59.1 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 63% | 0.626 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.7 | -29.3 | 175.6 | -70.3 | -31.8 | 0 | 0 | 0 | 112.6 | A58 V59 L60 S65 | A58-N62 VanDerWaalsContact O-CG 3.31Å; A58-N62 PolarHBondContact O-N 3.39Å; A58-N62 VanDerWaalsContact O-N 3.15Å; A58-N62 PolarHBondContact O-ND2 3.1Å; A58-N62 VanDerWaalsContact O-ND2 3.15Å; V59-N62 PolarHBondContact O-N 3.3Å; L60-N62 PolarHBondContact O-N 2.83Å; N62-S65 PolarHBondContact O-OG 3.45Å |
| 63 | S | 53.8 | Low | 57.1 | Low | 81 Ų | 81 | 122 Ų | 122 | 57% | 0.566 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.8 | -23.5 | -175.2 | 72.7 | 0 | 0 | 0 | 0 | 114.7 | V59 L60 S65 | V59-S63 PolarHBondContact O-N 2.91Å; L60-S63 WeakPolarHBondContact O-CB 3.43Å; L60-S63 PolarHBondContact O-N 2.9Å; L60-S63 PolarHBondContact O-OG 3.36Å; S63-S65 PolarHBondContact O-N 3.47Å |
| 64 | E | 51.9 | Low | 55.3 | Low | 179 Ų | 179 | 123.2 Ų | 123.2 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 2.1 | 179.9 | -63.6 | -170.3 | 115.8 | 0 | 0 | 114 | ||
| 65 | S | 45.1 | Very low | 53.3 | Low | 89 Ų | 89 | 124.3 Ų | 124.3 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -8.6 | -171.1 | 66.5 | 0 | 0 | 0 | 0 | 116.2 | N62 S63 | N62-S65 PolarHBondContact O-OG 3.45Å; S63-S65 PolarHBondContact O-N 3.47Å |
| 66 | C | 32.9 | Very low | 51.5 | Low | 115 Ų | 115 | 126 Ų | 126 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | trans | -107.8 | 67.7 | -167.7 | -71.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 67 | S | 37.5 | Very low | 50 | Low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | trans | -167.1 | 118.5 | 154.8 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 68 | N | 34 | Very low | 48.2 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | trans | 160.1 | 51.6 | 161.3 | -86.8 | -44.7 | 0 | 0 | 0 | 113.5 | ||||
| 69 | E | 42.8 | Very low | 46.7 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | -139.8 | 157.9 | 165.6 | -68.5 | -164.3 | 141.5 | 0 | 0 | 110.4 | ||||
| 70 | E | 44.9 | Very low | 44.9 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | trans | 67.4 | 123.1 | -172.7 | -48 | -172.9 | 153 | 0 | 0 | 113.7 | ||||
| 71 | E | 42 | Very low | 43.6 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 96% | 0.963 | 76% | 0.756 | S | S | * | * | cis | -122.2 | 163.8 | 29.2 | -63.1 | -179.1 | 105.6 | 0 | 0 | 115.5 | ||||
| 72 | E | 47.3 | Very low | 42.1 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -129 | 135.5 | -176 | -162.2 | -149.7 | 144.3 | 0 | 0 | 113.1 | ||||
| 73 | K | 41 | Very low | 41.1 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | 62.9 | 165.7 | 176.8 | -67.7 | 165.2 | 176.9 | 134.1 | 0 | 113.5 | ||||
| 74 | V | 41.3 | Very low | 40.4 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | cis | -155.8 | 142.1 | 37.2 | 168.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 75 | D | 40 | Very low | 40 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | cis | -151.6 | 178.2 | 8.1 | -121.2 | -22.3 | 0 | 0 | 0 | 111.2 | ||||
| 76 | E | 42.7 | Very low | 39.6 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | 19.8 | 143.3 | 150 | -57.3 | -159.1 | 102.7 | 0 | 0 | 122.3 | ||||
| 77 | Q | 44.6 | Very low | 39.7 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | cis | -155.9 | 164.7 | 14.6 | -134.9 | 169.8 | 44 | 0 | 0 | 112.8 | ||||
| 78 | T | 33.6 | Very low | 39.8 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 148.9 | -174.9 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 79 | V | 40.4 | Very low | 40.5 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | -176.3 | 145.2 | 110.1 | -87.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 80 | D | 33.6 | Very low | 40.8 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -74.7 | 156.7 | 174.3 | -48.7 | -96.2 | 0 | 0 | 0 | 113.9 | ||||
| 81 | F | 39.7 | Very low | 40.7 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | -176.3 | 179.7 | 112.3 | -105.2 | -72.6 | 0 | 0 | 0 | 111.4 | |||||
| 82 | S | 35.7 | Very low | 40.9 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -133.4 | 170 | -147.6 | 58.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 83 | V | 37.2 | Very low | 40.9 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | 87.3 | 88.9 | 160.4 | -171.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 84 | S | 40.7 | Very low | 41 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 65.5 | -170.7 | 124.1 | -42.4 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 85 | P | 43.9 | Very low | 41 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | -127.1 | 175.3 | -107.8 | 37.9 | -18.9 | 0 | 0 | 0 | 114.8 | |||||
| 86 | I | 34.9 | Very low | 41.2 | Very low | 165 Ų | 165 | 140 Ų | 140 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 177.4 | 140.3 | 143.3 | -97.4 | 152.9 | 0 | 0 | 0 | 112 | ||||
| 87 | A | 35.9 | Very low | 41.2 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | 45.4 | 144.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 88 | E | 39.3 | Very low | 41 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 169 | 159.9 | -50.5 | 169.3 | 143.8 | 0 | 0 | 111 | ||||
| 89 | P | 49.2 | Very low | 41.1 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | -153 | 144.4 | 92.5 | 40 | -21.9 | 0 | 0 | 0 | 118 | |||||
| 90 | M | 48.5 | Very low | 40.8 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | 71.2 | 135.9 | 125.4 | -67.2 | 177 | 60.8 | 0 | 0 | 125 | |||||
| 91 | D | 43 | Very low | 41.1 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | trans | 101.8 | 147.7 | 134.4 | -67 | -12.3 | 0 | 0 | 0 | 124.6 | ||||
| 92 | H | 46.2 | Very low | 41 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | trans | 71.4 | 137.3 | 166.8 | -53.2 | -62.8 | 0 | 0 | 0 | 118.7 | ||||
| 93 | E | 47 | Very low | 41.3 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | -147.1 | 135.3 | -10.7 | -107 | 173.7 | 165.9 | 0 | 0 | 106.8 | ||||
| 94 | E | 43 | Very low | 41.3 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | 59.9 | 109 | 88.8 | -147.6 | 175.2 | 154.2 | 0 | 0 | 113.4 | H96 | E94-H96 VanDerWaalsContact CG-CD2 3.45Å; E94-H96 WeakPolarHBondContact CG-CD2 3.38Å; E94-H96 IonicContact OE1-CD2 2.77Å; E94-H96 IonicContact OE1-NE2 2.95Å | |||
| 95 | L | 42.2 | Very low | 41.1 | Very low | 161 Ų | 161 | 143 Ų | 143 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | -165 | 175.9 | 74.7 | -74.5 | 156.1 | 0 | 0 | 0 | 110.5 | |||||
| 96 | H | 44.4 | Very low | 41.2 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | -150.2 | 153.3 | -75.2 | -118.8 | -65.8 | 0 | 0 | 0 | 108.4 | E94 | E94-H96 VanDerWaalsContact CG-CD2 3.45Å; E94-H96 WeakPolarHBondContact CG-CD2 3.38Å; E94-H96 IonicContact OE1-CD2 2.77Å; E94-H96 IonicContact OE1-NE2 2.95Å | |||
| 97 | P | 43.2 | Very low | 41.4 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -101.1 | 165.9 | -173.6 | 38.6 | -31.5 | 0 | 0 | 0 | 113.8 | ||||
| 98 | V | 39.9 | Very low | 41.5 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -139 | 141.1 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 99 | E | 36.2 | Very low | 41.6 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -109.8 | 173.3 | -178.1 | -55.4 | 175.7 | 105.8 | 0 | 0 | 113 | ||||
| 100 | T | 34.4 | Very low | 41.3 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 76 | 158.3 | 152.6 | 71.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 101 | A | 39.1 | Very low | 40.8 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | 86.7 | 100.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 102 | S | 36.5 | Very low | 40.6 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -57.5 | 165.8 | 142.9 | -26.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 103 | P | 42.9 | Very low | 40.3 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | -162.9 | 167.9 | 59.6 | 43.6 | -21.1 | 0 | 0 | 0 | 121.6 | |||||
| 104 | K | 38.2 | Very low | 40 | Very low | 208 Ų | 208 | 143 Ų | 143 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | 71.2 | 155.1 | 142.2 | -76.8 | 166.6 | -177.9 | 177.1 | 0 | 122.4 | ||||
| 105 | R | 35.6 | Very low | 39.6 | Very low | 226 Ų | 226 | 141.7 Ų | 141.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -100.7 | 178.8 | 176.7 | -52 | 179.4 | -179.4 | -164.2 | -0.4 | 110.9 | ||||
| 106 | P | 46.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -149.6 | 148.4 | 89.1 | 38.5 | -21 | 0 | 0 | 0 | 118.2 | |||||
| 107 | N | 37.8 | Very low | 39.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 80% | 0.801 | S | S | * | * | trans | 32.6 | 164.3 | 134.9 | -56.2 | 10.5 | 0 | 0 | 0 | 126 | ||||
| 108 | D | 39.8 | Very low | 39 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 76.7 | 140.8 | 155.8 | -52.9 | -37.7 | 0 | 0 | 0 | 117.7 | ||||
| 109 | E | 40.7 | Very low | 39.1 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | cis | -152.7 | 160.5 | 1.6 | -128 | -172.3 | 118.1 | 0 | 0 | 112.2 | ||||
| 110 | L | 42.9 | Very low | 39.2 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 30.4 | 123.6 | 157.5 | -59 | 173.3 | 0 | 0 | 0 | 122.5 | ||||
| 111 | G | 36.9 | Very low | 39.6 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -164.3 | 135.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 112 | A | 40 | Very low | 39.4 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -85.3 | 161.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 113 | H | 38.3 | Very low | 39.6 | Very low | 178 Ų | 178 | 158.1 Ų | 158.1 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -19.1 | 136.4 | 165.4 | -54.4 | -104.6 | 0 | 0 | 0 | 118.6 | ||||
| 114 | Q | 42.2 | Very low | 39.9 | Very low | 199 Ų | 199 | 162.5 Ų | 162.5 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | -172.5 | 166.2 | 105.9 | -100.3 | 169.4 | 53.8 | 0 | 0 | 112.6 | |||||
| 115 | A | 34.9 | Very low | 40.2 | Very low | 106 Ų | 106 | 158.3 Ų | 158.3 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -95.4 | 154.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 116 | G | 36.8 | Very low | 40.3 | Very low | 70 Ų | 70 | 155.3 Ų | 155.3 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 176.8 | 82.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 117 | Q | 41.1 | Very low | 40.3 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | 55.5 | 146 | 150.4 | -63.9 | -177.4 | -19.6 | 0 | 0 | 121.9 | ||||
| 118 | P | 39.2 | Very low | 40.6 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -83.6 | 122.5 | 175.8 | 33 | -33.6 | 0 | 0 | 0 | 113.1 | K120 | P118-K120 PolarHBondContact O-N 3.29Š| ||
| 119 | V | 42.3 | Very low | 40.7 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 76% | 0.758 | 83% | 0.834 | S | S | * | * | trans | -81.2 | 98.7 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | R121 | V119-R121 HydrophobicContact CG1-CG 4.03Å; V119-R121 PolarHBondContact O-N 2.93Å | ||
| 120 | K | 38.1 | Very low | 40.9 | Very low | 201 Ų | 201 | 158.8 Ų | 158.8 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -58.9 | 123.7 | 169.9 | -61.8 | 175.7 | -178.6 | 176.4 | 0 | 110.4 | P118 | P118-K120 PolarHBondContact O-N 3.29Š| ||
| 121 | R | 41.3 | Very low | 40.8 | Very low | 228 Ų | 228 | 160.6 Ų | 160.6 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -126.1 | 97.9 | 171.8 | -60.5 | -165.4 | 91.3 | 176.2 | 6.1 | 113.2 | V119 | V119-R121 HydrophobicContact CG1-CG 4.03Å; V119-R121 PolarHBondContact O-N 2.93Å | ||
| 122 | R | 36.7 | Very low | 41 | Very low | 241 Ų | 241 | 164.2 Ų | 164.2 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | 52.1 | 99.6 | 154 | -68.5 | -176.8 | 163 | -167.9 | -8.7 | 118.5 | ||||
| 123 | R | 39.8 | Very low | 41.2 | Very low | 248 Ų | 248 | 166.1 Ų | 166.1 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 152.7 | 137.3 | -68.1 | 179.9 | 175.8 | 167.8 | -1.8 | 109.1 | ||
| 124 | K | 48.8 | Very low | 41.7 | Very low | 202 Ų | 202 | 163.3 Ų | 163.3 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 153.5 | 161.1 | -87.1 | -173.8 | 173.7 | -175.7 | 0 | 108.9 | ||
| 125 | P | 45.6 | Very low | 41.7 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 159.6 | -164.4 | 35.1 | -37 | 0 | 0 | 0 | 113.8 | ||
| 126 | D | 36.6 | Very low | 42 | Very low | 164 Ų | 164 | 162.7 Ų | 162.7 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138.8 | 162 | -62.5 | -67.7 | 0 | 0 | 0 | 110.8 | ||
| 127 | A | 45.9 | Very low | 42.5 | Very low | 98 Ų | 98 | 164.3 Ų | 164.3 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -104.1 | 99 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 128 | K | 44.7 | Very low | 42.5 | Very low | 194 Ų | 194 | 161.3 Ų | 161.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -83.2 | 157.1 | 150.2 | -63.1 | -178.9 | -178.2 | 179.4 | 0 | 107.8 | ||||
| 129 | H | 41.6 | Very low | 42.9 | Very low | 174 Ų | 174 | 164.3 Ų | 164.3 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | 62.8 | 91.6 | -178.9 | -71 | 55.6 | 0 | 0 | 0 | 116.1 | ||||
| 130 | I | 46.3 | Very low | 42.9 | Very low | 147 Ų | 147 | 161 Ų | 161 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | -134.3 | 98.2 | 129.9 | -58.5 | -176.8 | 0 | 0 | 0 | 107 | H132 | I130-H132 HydrophobicContact CG2-CB 4.25Š| |||
| 131 | F | 40.8 | Very low | 43.2 | Very low | 197 Ų | 197 | 158.7 Ų | 158.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 125.6 | 149.5 | -88.6 | -91.4 | 0 | 0 | 0 | 106.4 | ||||
| 132 | H | 41.4 | Very low | 43.4 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -121.3 | 99 | 162.7 | -122.7 | -62.5 | 0 | 0 | 0 | 108.1 | I130 V134 | I130-H132 HydrophobicContact CG2-CB 4.25Å; H132-V134 PolarHBondContact O-N 2.91Å | ||
| 133 | I | 43.9 | Very low | 43.6 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -62.7 | 124 | 158 | -60.9 | 171.3 | 0 | 0 | 0 | 105.6 | N135 | I133-N135 WeakPolarHBondContact CG2-OD1 3.3Š| ||
| 134 | V | 47.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -118.3 | 106.2 | 163.7 | 178.5 | 0 | 0 | 0 | 0 | 104.7 | H132 I136 | H132-V134 PolarHBondContact O-N 2.91Å; V134-I136 PolarHBondContact O-N 3.17Å | ||
| 135 | N | 42.3 | Very low | 43.8 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -57.7 | 138.8 | 171.6 | -71.5 | -0.7 | 0 | 0 | 0 | 108.4 | I133 P137 | I133-N135 WeakPolarHBondContact CG2-OD1 3.3Å; N135-P137 VanDerWaalsContact O-CD 3.26Å; N135-P137 WeakPolarHBondContact O-CD 3.34Å | ||
| 136 | I | 41.2 | Very low | 43.5 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -77.9 | 114.6 | 167.7 | -60.2 | 169.8 | 0 | 0 | 0 | 106.7 | V134 | V134-I136 PolarHBondContact O-N 3.17Š| ||
| 137 | P | 47.4 | Very low | 43.5 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -81.7 | 126.7 | 164.3 | 20 | -4.2 | 0 | 0 | 0 | 108 | N135 | N135-P137 VanDerWaalsContact O-CD 3.26Å; N135-P137 WeakPolarHBondContact O-CD 3.34Å | ||
| 138 | S | 42.4 | Very low | 44.1 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -109 | 65.4 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 139 | E | 46.7 | Very low | 44.1 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -118.2 | 136.3 | 168.5 | -65.7 | 168.5 | -130.5 | 0 | 0 | 105.9 | ||||
| 140 | G | 43.1 | Very low | 44.1 | Very low | 57 Ų | 57 | 139.9 Ų | 139.9 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | cis | 126.3 | 89.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 141 | D | 42.7 | Very low | 44.2 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 65.3 | 155.5 | 174.4 | -37.8 | -34.9 | 0 | 0 | 0 | 113.9 | ||||
| 142 | E | 45.4 | Very low | 44.5 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | cis | -156 | 172.4 | -22.5 | -114.7 | 172.9 | 170.8 | 0 | 0 | 107 | ||||
| 143 | D | 42 | Very low | 44.4 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 66.1 | 121.7 | 158 | -63.9 | -16.4 | 0 | 0 | 0 | 124.7 | ||||
| 144 | D | 46.7 | Very low | 43.9 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 79.2 | 162.9 | 136.8 | -146.8 | 5.3 | 0 | 0 | 0 | 122 | ||||
| 145 | F | 44.8 | Very low | 43.4 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | 77.9 | 86.9 | 172.7 | -62.5 | -80.6 | 0 | 0 | 0 | 120.7 | ||||
| 146 | G | 39.9 | Very low | 43.1 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | 85.5 | 102.8 | 109.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 147 | N | 37.1 | Very low | 43 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | -93.5 | 135 | 171.3 | 170.6 | 59.4 | 0 | 0 | 0 | 113.7 | ||||
| 148 | P | 59.4 | Low | 42.6 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | trans | -106.7 | 115.6 | 151.8 | 34 | -22.3 | 0 | 0 | 0 | 110.1 | ||||
| 149 | Y | 43.4 | Very low | 42.6 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | 48.2 | 131 | 68.7 | -69.6 | -77.6 | 0 | 0 | 0 | 112.9 | |||||
| 150 | D | 41.7 | Very low | 42.2 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | cis | -137.5 | 160.6 | 25.9 | -95.8 | -57.1 | 0 | 0 | 0 | 116.3 | ||||
| 151 | N | 48.1 | Very low | 42.2 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | trans | -87.2 | 175.6 | 166.9 | -161.3 | 11.8 | 0 | 0 | 0 | 110.3 | T153 | N151-T153 PolarHBondContact ND2-N 3.15Å; N151-T153 PolarHBondContact OD1-N 3.36Å | ||
| 152 | P | 47.7 | Very low | 42 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | -138.9 | 130.9 | 98.8 | 13.8 | 9 | 0 | 0 | 0 | 113.8 | |||||
| 153 | T | 38.3 | Very low | 41.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | 82.4 | 134.9 | 76.6 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | N151 | N151-T153 PolarHBondContact ND2-N 3.15Å; N151-T153 PolarHBondContact OD1-N 3.36Å | |||
| 154 | C | 33.7 | Very low | 41.2 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 58% | 0.581 | 72% | 0.716 | S | S | * | * | cis | -169.2 | -177.1 | -18.5 | -98.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 155 | Q | 37.9 | Very low | 40.8 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 52% | 0.519 | 71% | 0.713 | S | S | . | * | cis | -107.8 | -134 | -4.7 | -66.7 | 76.8 | -108.1 | 0 | 0 | 108 | E157 | Q155-E157 WeakPolarHBondContact CA-OE1 3.36Å; Q155-E157 VanDerWaalsContact CB-OE1 3.28Å; Q155-E157 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 156 | Y | 35.1 | Very low | 40.4 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | cis | -148.8 | 143.8 | -3.3 | -93.1 | -54.4 | 0 | 0 | 0 | 107 | ||||
| 157 | E | 39.3 | Very low | 40.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | cis | 78.2 | 123 | 9.8 | -46.4 | 146.3 | -106.8 | 0 | 0 | 114.6 | Q155 | Q155-E157 WeakPolarHBondContact CA-OE1 3.36Å; Q155-E157 VanDerWaalsContact CB-OE1 3.28Å; Q155-E157 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 158 | D | 40.3 | Very low | 40.4 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | cis | -167.7 | -179.9 | -6 | -171.4 | 22.5 | 0 | 0 | 0 | 111.3 | ||||
| 159 | L | 41.3 | Very low | 39.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 59% | 0.592 | 72% | 0.724 | S | S | * | * | trans | 79.4 | 144.4 | 163.3 | -54.9 | 173.4 | 0 | 0 | 0 | 117.1 | K161 | L159-K161 HydrophobicContact CD2-CD 4.45Š| ||
| 160 | N | 38.1 | Very low | 39.3 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | cis | -145 | -176.1 | 45.2 | -160 | 4.2 | 0 | 0 | 0 | 115.1 | ||||
| 161 | K | 43.4 | Very low | 39.2 | Very low | 142 Ų | 142 | 135 Ų | 135 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | trans | -116.2 | -175 | -153.1 | -65.6 | 147.8 | 175.6 | 154.1 | 0 | 114.9 | L159 | L159-K161 HydrophobicContact CD2-CD 4.45Š| ||
| 162 | N | 37.8 | Very low | 39 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 97.4 | 122.8 | 167.2 | -47.7 | -26 | 0 | 0 | 0 | 114.6 | ||||
| 163 | G | 37.5 | Very low | 38.4 | Very low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | 129.6 | 123.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 164 | F | 34.9 | Very low | 38.5 | Very low | 219 Ų | 219 | 139.2 Ų | 139.2 | 96% | 0.961 | 75% | 0.747 | S | S | * | * | trans | -165.9 | 165 | 158 | -122.1 | -83.2 | 0 | 0 | 0 | 110.7 | ||||
| 165 | S | 36.5 | Very low | 38.8 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | -146.8 | 174.9 | -171.7 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 166 | E | 37.7 | Very low | 38.9 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 69.5 | 154.2 | -179.5 | -91.4 | 177.3 | 118.4 | 0 | 0 | 114.7 | ||||
| 167 | V | 39.3 | Very low | 39.2 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | cis | -147.6 | 138.9 | 32 | 175.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 168 | A | 37.7 | Very low | 39.7 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | 59.7 | 153.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 169 | E | 35.1 | Very low | 39.6 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -91.9 | 156.9 | 176.2 | -51.3 | 159.9 | 97.8 | 0 | 0 | 113.4 | ||||
| 170 | V | 44.7 | Very low | 39.4 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | trans | -141.8 | 123.8 | 156.1 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 171 | Q | 38.5 | Very low | 39.4 | Very low | 158 Ų | 158 | 149 Ų | 149 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -89.7 | 148.7 | 174 | -62.6 | 173.7 | -11.3 | 0 | 0 | 112.5 | ||||
| 172 | K | 44.7 | Very low | 39 | Very low | 205 Ų | 205 | 153.5 Ų | 153.5 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -168.5 | 161.9 | 148.7 | -107.7 | 150.1 | -170.9 | 171.4 | 0 | 112.9 | ||||
| 173 | N | 34.1 | Very low | 39.1 | Very low | 163 Ų | 163 | 154 Ų | 154 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -121.9 | 156 | -159.1 | -50 | -14.6 | 0 | 0 | 0 | 113.7 | ||||
| 174 | G | 41.4 | Very low | 39 | Very low | 63 Ų | 63 | 156.9 Ų | 156.9 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -174.6 | 123.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 175 | E | 39.8 | Very low | 39.8 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | 60.4 | 122.8 | 72.4 | -65.3 | -161.1 | -165.4 | 0 | 0 | 112.4 | |||||
| 176 | K | 39.6 | Very low | 39.8 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 60% | 0.6 | 78% | 0.781 | S | S | * | * | cis | -157.7 | 175.1 | 12.3 | -116.4 | 178.5 | 178.7 | 93.7 | 0 | 112.2 | ||||
| 177 | E | 42.1 | Very low | 40.2 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 7.4 | 137.9 | 152 | -66.9 | 128.6 | -153.2 | 0 | 0 | 118.8 | ||||
| 178 | D | 48.6 | Very low | 40.1 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | -159.9 | 166.3 | 72.7 | -135 | -18 | 0 | 0 | 0 | 115.6 | |||||
| 179 | E | 39.6 | Very low | 40 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -93.1 | 145.6 | -175.4 | -60.7 | -179.9 | 97.5 | 0 | 0 | 115.7 | ||||
| 180 | R | 37.2 | Very low | 40.2 | Very low | 214 Ų | 214 | 150 Ų | 150 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -159.9 | 114.5 | 134.8 | -131.5 | 139.9 | -73.7 | -136.7 | 1.5 | 115 | ||||
| 181 | Q | 37.9 | Very low | 39.8 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -103 | 127.7 | 171.7 | 176.1 | 177.2 | 104 | 0 | 0 | 109.8 | ||||
| 182 | W | 33.5 | Very low | 39.9 | Very low | 236 Ų | 236 | 147.4 Ų | 147.4 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -106.1 | 149.2 | 167 | -79.6 | 59.3 | 0 | 0 | 0 | 110.2 | ||||
| 183 | K | 41.1 | Very low | 39.5 | Very low | 169 Ų | 169 | 146 Ų | 146 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | trans | -142.3 | 137 | -161.8 | -129.6 | 162 | -175.6 | 157 | 0 | 110.2 | ||||
| 184 | T | 35.7 | Very low | 39.9 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -71 | 143 | 174.1 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 185 | P | 50.3 | Low | 39.8 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -105.2 | 109.9 | 170 | 34.5 | -26.4 | 0 | 0 | 0 | 111.8 | ||||
| 186 | D | 37.2 | Very low | 39.7 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -70 | 130.6 | 161.4 | -76.1 | -49.5 | 0 | 0 | 0 | 110.2 | ||||
| 187 | V | 46.5 | Very low | 40.5 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -136 | 115.2 | 169 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | N | 37.6 | Very low | 40.6 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -84.4 | 139.5 | 177.1 | -71.5 | -89.3 | 0 | 0 | 0 | 111.1 | ||||
| 189 | G | 35.8 | Very low | 40.1 | Very low | 76 Ų | 76 | 146.4 Ų | 146.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 175.8 | 128.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 190 | A | 39.1 | Very low | 40 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -42.6 | 151.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 191 | G | 35.3 | Very low | 39.9 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | cis | 120.3 | 124.7 | 7.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 192 | L | 41.3 | Very low | 39.9 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | trans | -167.6 | 148 | 165.8 | -109.7 | 166.6 | 0 | 0 | 0 | 109.3 | ||||
| 193 | E | 36.9 | Very low | 40.2 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -98.3 | 157.9 | -173.5 | -57.9 | 162.3 | 140 | 0 | 0 | 111.9 | ||||
| 194 | I | 40.9 | Very low | 40.1 | Very low | 173 Ų | 173 | 136 Ų | 136 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -164.2 | 145.4 | 143.8 | -101.2 | 149.6 | 0 | 0 | 0 | 109 | ||||
| 195 | E | 40.4 | Very low | 40.4 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -91.6 | 164.8 | -160.6 | -58 | 170.2 | 109.7 | 0 | 0 | 115 | ||||
| 196 | S | 37 | Very low | 39.9 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -117.2 | 129.4 | 169.5 | -62 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 197 | P | 56.2 | Low | 40.5 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 152.8 | 173 | 35.1 | -31 | 0 | 0 | 0 | 113.6 | ||
| 198 | P | 44 | Very low | 40.2 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 166.8 | -170.4 | 37.1 | -37.8 | 0 | 0 | 0 | 115.3 | ||
| 199 | P | 38.1 | Very low | 40.5 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 156.8 | -176.1 | 33.3 | -37 | 0 | 0 | 0 | 115.1 | ||
| 200 | L | 38.8 | Very low | 40.7 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -137.4 | 167.7 | 171.2 | -79.8 | 175.4 | 0 | 0 | 0 | 111.4 | ||||
| 201 | S | 34.7 | Very low | 40.8 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -132.1 | 159.5 | -151.9 | 72.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 202 | K | 37.9 | Very low | 41 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 91.4 | 156.8 | 148.2 | -70.6 | 166.8 | -178.2 | 170.3 | 0 | 121.3 | ||||
| 203 | T | 40.6 | Very low | 41 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | 83.2 | 88.4 | 152.1 | 36.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 204 | D | 37.9 | Very low | 41 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | 49.9 | 110.1 | 111.8 | -40.3 | -13.7 | 0 | 0 | 0 | 120.3 | |||||
| 205 | H | 43.2 | Very low | 40.9 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | -158.9 | 133 | 124.5 | -122.4 | 61.1 | 0 | 0 | 0 | 113.6 | |||||
| 206 | D | 38.4 | Very low | 40.7 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 152.7 | 164.3 | -61.4 | -68.1 | 0 | 0 | 0 | 111.2 | ||||
| 207 | Q | 50.8 | Low | 40.7 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | -164.6 | 121.6 | 123.7 | -173.2 | 53.9 | 60.5 | 0 | 0 | 111 | |||||
| 208 | N | 39.1 | Very low | 39.8 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -72.3 | 135.2 | 172.1 | -76.9 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 209 | Q | 43.5 | Very low | 39.8 | Very low | 167 Ų | 167 | 151.7 Ų | 151.7 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -151.8 | 113.9 | 155.4 | -168.6 | 94.7 | 72.4 | 0 | 0 | 108.4 | ||||
| 210 | I | 41.1 | Very low | 40 | Very low | 147 Ų | 147 | 154 Ų | 154 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -97.1 | 109.4 | 177.5 | -58.9 | 172 | 0 | 0 | 0 | 108.6 | I212 | I210-I212 HydrophobicContact CG2-CG1 4.18Š| ||
| 211 | D | 41 | Very low | 40 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -107.7 | 115 | 167.6 | -86.1 | -45 | 0 | 0 | 0 | 110.1 | D213 | D211-D213 PolarHBondContact O-N 3.08Š| ||
| 212 | I | 38.8 | Very low | 40.2 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -86 | 91.9 | 177.8 | -56.3 | 175.7 | 0 | 0 | 0 | 109 | I210 L214 | I210-I212 HydrophobicContact CG2-CG1 4.18Å; I212-L214 HydrophobicContact CG2-CD1 3.99Å | ||
| 213 | D | 42.6 | Very low | 40.3 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -115.4 | 109.8 | 179.3 | -157.3 | -3.5 | 0 | 0 | 0 | 114 | D211 R215 | D211-D213 PolarHBondContact O-N 3.08Å; D213-R215 PolarHBondContact O-N 3.13Å; D213-R215 VanDerWaalsContact O-N 3.15Å | ||
| 214 | L | 36.1 | Very low | 40.6 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -80.6 | 84.9 | 179.6 | -81.7 | 70.4 | 0 | 0 | 0 | 111.8 | I212 | I212-L214 HydrophobicContact CG2-CD1 3.99Š| ||
| 215 | R | 38.2 | Very low | 40.9 | Very low | 207 Ų | 207 | 149.3 Ų | 149.3 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -157.5 | 122.6 | 159.3 | -95.3 | 117.6 | -155.2 | -128.5 | 8.4 | 118 | D213 | D213-R215 PolarHBondContact O-N 3.13Å; D213-R215 VanDerWaalsContact O-N 3.15Å | ||
| 216 | K | 36.4 | Very low | 40.7 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | 51.4 | 88.3 | 130.7 | -57.2 | 178 | 179.7 | 177.4 | 0 | 120.1 | ||||
| 217 | G | 36.5 | Very low | 40.8 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | 98.4 | -172.7 | 87.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 218 | N | 38.1 | Very low | 40.4 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 91.1 | 111.3 | 160.2 | -81.4 | -32.7 | 0 | 0 | 0 | 122.6 | ||||
| 219 | R | 44.5 | Very low | 40.4 | Very low | 211 Ų | 211 | 139.8 Ų | 139.8 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 93.2 | 148.3 | 145.7 | -60.2 | 164.3 | -68.3 | -140.8 | -0.3 | 115.8 | ||||
| 220 | K | 41 | Very low | 40.4 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | cis | -157.1 | 125.8 | 19.8 | -147.6 | 162 | -176.7 | -175.6 | 0 | 115.4 | ||||
| 221 | L | 40.1 | Very low | 40.2 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | 50.5 | 154.6 | 143.2 | -55.5 | 177.3 | 0 | 0 | 0 | 121.1 | ||||
| 222 | H | 38.8 | Very low | 40.1 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | cis | -127.2 | 144.5 | 7.2 | -68.1 | 102.7 | 0 | 0 | 0 | 109.9 | ||||
| 223 | S | 38.7 | Very low | 39.9 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | 59.6 | 125.8 | 82 | -137.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 224 | S | 47.8 | Very low | 39.7 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | -170.2 | -166.9 | -8.3 | 35.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 225 | D | 43.2 | Very low | 39.6 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | cis | -155 | 125.7 | 17.1 | -86.1 | -71.6 | 0 | 0 | 0 | 108.4 | ||||
| 226 | V | 41.1 | Very low | 40 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 112.4 | 142.9 | 89.8 | -69.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 227 | S | 40.4 | Very low | 40.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 68.4 | 146.1 | 165.5 | -104.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 228 | S | 40.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | cis | 179.1 | 152.9 | -17.2 | -96.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 229 | S | 41.1 | Very low | 39.9 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | -168.8 | 152.1 | -8.8 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 230 | S | 41.6 | Very low | 39.2 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | 67.3 | 114 | 153.9 | -65.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 231 | R | 38.6 | Very low | 39 | Very low | 236 Ų | 236 | 138.4 Ų | 138.4 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | 84.3 | 145.6 | 81.3 | -81.8 | 172.1 | 161 | -172.9 | -6.6 | 113.6 | |||||
| 232 | S | 37.4 | Very low | 38.8 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | cis | -157.7 | 161.1 | 3.6 | 36.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 233 | L | 35.6 | Very low | 39.1 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | -78 | 141.4 | 180 | -57 | 166.6 | 0 | 0 | 0 | 113.6 | ||||
| 234 | I | 37.4 | Very low | 38.7 | Very low | 170 Ų | 170 | 136 Ų | 136 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -141.4 | 147.4 | 151.7 | -60.4 | -173.7 | 0 | 0 | 0 | 108.4 | ||||
| 235 | L | 34.6 | Very low | 38.1 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -98.6 | 173.9 | -173.8 | -87.6 | 161.9 | 0 | 0 | 0 | 112.6 | ||||
| 236 | P | 45.8 | Very low | 37.6 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -98 | 170.8 | -147.4 | 39.4 | -39.1 | 0 | 0 | 0 | 115.4 | ||||
| 237 | H | 40.2 | Very low | 37.2 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 93% | 0.931 | 79% | 0.787 | S | S | * | * | trans | -144.6 | 177 | 154.4 | -118 | -94.2 | 0 | 0 | 0 | 112.5 | ||||
| 238 | K | 32.7 | Very low | 37 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -109 | 166.9 | -155.8 | -173.8 | 178.9 | 177.2 | 177.6 | 0 | 113.1 | ||||
| 239 | M | 36.6 | Very low | 36.7 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | 89.3 | 154.3 | 167.9 | -55.8 | -179.8 | 179.8 | 0 | 0 | 116.8 | ||||
| 240 | T | 31.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | 175.7 | 135.3 | -35.7 | -92.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 241 | I | 36.7 | Very low | 36 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 67.9 | 145.5 | 166.7 | -80.9 | 165.7 | 0 | 0 | 0 | 114.6 | ||||
| 242 | D | 35.8 | Very low | 36 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | cis | -148.2 | 175.9 | 2.5 | -124.7 | -1.2 | 0 | 0 | 0 | 111.3 | ||||
| 243 | P | 43.5 | Very low | 35.9 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -101.3 | -177.5 | -174.7 | 40.2 | -36.4 | 0 | 0 | 0 | 116.2 | ||||
| 244 | A | 32 | Very low | 35.9 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | 89.1 | 104.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 245 | A | 34.2 | Very low | 35.9 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -167.8 | 112.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 246 | I | 33.8 | Very low | 36 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | 74.3 | 113.5 | 68.8 | -62.6 | 168.8 | 0 | 0 | 0 | 113.7 | |||||
| 247 | G | 31.5 | Very low | 35.2 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 101.5 | 130.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 248 | G | 36 | Very low | 35.1 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 156.2 | 62.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 249 | A | 34.2 | Very low | 35.2 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 161.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 250 | A | 32.9 | Very low | 35.4 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 69.4 | 152.1 | 150 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 251 | T | 35.4 | Very low | 35.7 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | cis | -168.3 | 138.3 | -14.2 | 23.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 252 | L | 38.6 | Very low | 35.5 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -159.5 | 157.7 | 134.9 | -156.8 | 56.2 | 0 | 0 | 0 | 109.8 | ||||
| 253 | V | 35.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -140.8 | 168.9 | -164.7 | -165 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 254 | E | 34.7 | Very low | 34.6 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 82.3 | 96.2 | 157 | -128.2 | 70.8 | -108.6 | 0 | 0 | 118.4 | ||||
| 255 | S | 38.2 | Very low | 34.7 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | 171.4 | 153.5 | 106.8 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 256 | H | 35.7 | Very low | 34.7 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 80.3 | 101.8 | 175.7 | -62.4 | 85.2 | 0 | 0 | 0 | 118.2 | ||||
| 257 | L | 30.8 | Very low | 34.7 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -161.2 | 87.2 | 167.8 | -145 | 179.4 | 0 | 0 | 0 | 113.1 | ||||
| 258 | K | 37.3 | Very low | 34.7 | Very low | 182 Ų | 182 | 133 Ų | 133 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -166 | 150.9 | 154.7 | -140.8 | 73.3 | -173.3 | 177.8 | 0 | 115 | ||||
| 259 | E | 35.1 | Very low | 34.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | trans | 81.9 | 83.5 | 156.4 | -51.5 | -146.3 | 177.4 | 0 | 0 | 122 | ||||
| 260 | H | 40.2 | Very low | 34.8 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | 86.8 | 149.2 | 122.2 | -70.8 | -64.7 | 0 | 0 | 0 | 121.4 | |||||
| 261 | P | 38 | Very low | 34.7 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -132.4 | 140.6 | -148.6 | 37.7 | -18.2 | 0 | 0 | 0 | 116.2 | ||||
| 262 | A | 32.3 | Very low | 34.4 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -155 | 115.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 263 | E | 29.1 | Very low | 34.2 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 62.8 | 165.5 | 144.7 | -57 | -177.3 | -179 | 0 | 0 | 120.2 | ||||
| 264 | H | 32 | Very low | 34.5 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 60.3 | 75.5 | 179.9 | -53.1 | -70.5 | 0 | 0 | 0 | 118.2 | ||||
| 265 | A | 32.8 | Very low | 34.4 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -112.2 | 125.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 266 | A | 35.1 | Very low | 34.4 | Very low | 86 Ų | 86 | 154.9 Ų | 154.9 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -113.2 | 147.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 267 | S | 33.5 | Very low | 34.5 | Very low | 87 Ų | 87 | 155.8 Ų | 155.8 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | trans | 56.3 | 77.1 | 160.5 | -173.5 | 0 | 0 | 0 | 0 | 118.2 | C670 | S267-C670 WeakPolarHBondContact CB-SG 3.44Š| ||
| 268 | D | 32.3 | Very low | 34.7 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -149.3 | 80.5 | 145.6 | -141.6 | -8.4 | 0 | 0 | 0 | 110.7 | V270 | D268-V270 PolarHBondContact O-N 3.28Š| ||
| 269 | Q | 34.8 | Very low | 34.3 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -94.8 | 87.7 | -179.6 | -77.9 | -155.1 | 13.6 | 0 | 0 | 112.5 | V271 | Q269-V271 PolarHBondContact O-N 3.47Š| ||
| 270 | V | 36.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 66% | 0.655 | 80% | 0.801 | S | S | * | * | trans | -62.6 | 123 | 164.1 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | D268 W272 | D268-V270 PolarHBondContact O-N 3.28Å; V270-W272 PolarHBondContact O-N 3.05Å | ||
| 271 | V | 31.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -71.9 | 96 | -174.3 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | Q269 S273 | Q269-V271 PolarHBondContact O-N 3.47Å; V271-S273 PolarHBondContact O-N 3.09Å | ||
| 272 | W | 29 | Very low | 34.1 | Very low | 221 Ų | 221 | 148.7 Ų | 148.7 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | trans | -76.1 | 115.8 | 175 | -74.5 | -17.3 | 0 | 0 | 0 | 112.6 | V270 K274 | V270-W272 PolarHBondContact O-N 3.05Å; W272-K274 PolarHBondContact O-N 3.19Å | ||
| 273 | S | 34.5 | Very low | 34.6 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -71.6 | 115.3 | -175.4 | -71.1 | 0 | 0 | 0 | 0 | 113.1 | V271 R275 | V271-S273 PolarHBondContact O-N 3.09Å; S273-R275 PolarHBondContact O-N 2.88Å | ||
| 274 | K | 39.9 | Very low | 35.8 | Very low | 215 Ų | 215 | 149 Ų | 149 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -79.6 | 100.1 | 178.1 | -171.1 | 176.9 | -177.1 | 178.7 | 0 | 111.6 | W272 | W272-K274 PolarHBondContact O-N 3.19Š| ||
| 275 | R | 34 | Very low | 37.3 | Very low | 231 Ų | 231 | 145.3 Ų | 145.3 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -118.7 | 105.2 | 175.4 | -172.3 | -162 | -64.1 | -176.8 | 1.5 | 111.3 | S273 | S273-R275 PolarHBondContact O-N 2.88Š| ||
| 276 | M | 38.6 | Very low | 39.2 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 95% | 0.946 | 75% | 0.753 | S | S | * | * | trans | -167.2 | 163.8 | 150.6 | -107.5 | 165.5 | -163.8 | 0 | 0 | 110.8 | ||||
| 277 | F | 36.7 | Very low | 41.4 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | -66.2 | 143.5 | -169.1 | -97 | -135.9 | 0 | 0 | 0 | 114.1 | ||||
| 278 | E | 34.8 | Very low | 43.7 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | -175 | 130.6 | 103.4 | -96 | 177.6 | 161.1 | 0 | 0 | 113.3 | |||||
| 279 | G | 29 | Very low | 45.6 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 39.2 | 80.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||
| 280 | N | 31.1 | Very low | 47.6 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | trans | -174.9 | 107.3 | 142.3 | -104.3 | -50.6 | 0 | 0 | 0 | 112.5 | ||||
| 281 | G | 35.8 | Very low | 49.6 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | trans | -109.8 | -14.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | K283 | G281-K283 PolarHBondContact O-N 3.43Š| ||
| 282 | F | 42.1 | Very low | 52.1 | Low | 191 Ų | 191 | 120.8 Ų | 120.8 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | trans | -97.5 | 41.7 | -173.3 | -73.8 | -74.2 | 0 | 0 | 0 | 113.9 | I285 | F282-I285 HydrophobicContact CD1-CD1 4.41Š| ||
| 283 | K | 42.9 | Very low | 54.8 | Low | 160 Ų | 160 | 113.7 Ų | 113.7 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -110.1 | 114.6 | 174 | -61.5 | -179.1 | -177.2 | -178.4 | 0 | 107.2 | G281 | G281-K283 PolarHBondContact O-N 3.43Š|
| 284 | D | 54.7 | Low | 57.1 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | trans | 52.9 | 98.8 | -166.7 | -61.6 | -5.3 | 0 | 0 | 0 | 115.2 | K286 | D284-K286 HydrophobicContact CB-CD 3.99Å; D284-K286 PolarHBondContact O-N 3.09Å; D284-K286 IonicContact OD2-NZ 2.92Å; D284-K286 PolarHBondContact OD2-NZ 2.97Å | ||
| 285 | I | 62.7 | Low | 59.2 | Low | 109 Ų | 109 | 100.9 Ų | 100.9 | 56% | 0.559 | 55% | 0.546 | S | S | * | . | trans | -73 | 79.5 | 159.9 | -55.1 | 177 | 0 | 0 | 0 | 107.3 | F282 | F282-I285 HydrophobicContact CD1-CD1 4.41Š| ||
| 286 | K | 74 | Confident | 61.5 | Low | 101 Ų | 101 | 91.3 Ų | 91.3 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | trans | -73.8 | 166.7 | -176.3 | -126.7 | 138.8 | -166.6 | 154.7 | 0 | 111.5 | D284 D293 | D284-K286 HydrophobicContact CB-CD 3.99Å; D284-K286 PolarHBondContact O-N 3.09Å; D284-K286 IonicContact OD2-NZ 2.92Å; D284-K286 PolarHBondContact OD2-NZ 2.97Å; K286-D293 WeakPolarHBondContact CE-O 3.45Å; K286-D293 VanDerWaalsContact CG-O 3.26Å; K286-D293 WeakPolarHBondContact CG-O 3.48Å | ||
| 287 | C | 81.2 | Confident | 64 | Low | 10 Ų | 10 | 84.2 Ų | 84.2 | 7% | 0.068 | 48% | 0.484 | C | S | . | . | trans | -61.9 | 131.2 | 179.2 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | T289 C292 H305 | C287-T289 PolarHBondContact O-N 3.38Å; C287-T289 PolarHBondContact SG-OG1 2.69Å; C287-C292 HydrophobicContact CB-CB 3.96Å; C287-H305 VanDerWaalsContact CB-NE2 3.29Å; C287-H305 WeakPolarHBondContact CB-NE2 3.26Å; C287-H305 PolarHBondContact SG-CD2 3Å; C287-H305 PolarHBondContact SG-NE2 2.97Å | ||
| 288 | P | 80.9 | Confident | 66.4 | Low | 53 Ų | 53 | 77.4 Ų | 77.4 | 34% | 0.344 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -76.6 | 3.8 | -179.8 | 32.9 | -38.7 | 0 | 0 | 0 | 114.1 | P290 L308 H325 | P288-P290 WeakPolarHBondContact O-CD 3.36Å; P288-L308 HydrophobicContact CG-CD2 4.18Å; P288-L308 HydrophobicContact CG-CG 4.41Å; P288-H325 VanDerWaalsContact CB-NE2 3.3Å; P288-H325 WeakPolarHBondContact CB-NE2 3.45Å; P288-H325 WeakPolarHBondContact CG-NE2 3.41Å |
| 289 | T | 73.3 | Confident | 68.7 | Low | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.043 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -74.5 | 121.6 | 164.9 | -51.9 | 0 | 0 | 0 | 0 | 109.5 | C287 G291 C292 L308 C311 R313 A317 | C287-T289 PolarHBondContact O-N 3.38Å; C287-T289 PolarHBondContact SG-OG1 2.69Å; T289-G291 PolarHBondContact O-N 3.25Å; T289-C292 HydrophobicContact CG2-CB 4.37Å; T289-C292 VanDerWaalsContact O-CB 3.28Å; T289-C292 WeakPolarHBondContact O-CB 3.27Å; T289-C292 PolarHBondContact O-N 3.47Å; T289-L308 WeakPolarHBondContact OG1-CD2 3.21Å; T289-C311 PolarHBondContact OG1-SG 3.42Å; T289-R313 HydrophobicContact CG2-CB 4.47Å; T289-A317 HydrophobicContact CG2-CB 4.38Å |
| 290 | P | 77.3 | Confident | 71.3 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.1 | 177.7 | -28.2 | 36.2 | 0 | 0 | 0 | 112.9 | P288 C292 V321 | P288-P290 WeakPolarHBondContact O-CD 3.36Å; P290-C292 PolarHBondContact O-N 3.1Å; P290-V321 HydrophobicContact CG-CG2 3.94Å |
| 291 | G | 77.2 | Confident | 73.8 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 73% | 0.732 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 0.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T289 R313 | T289-G291 PolarHBondContact O-N 3.25Å; G291-R313 PolarHBondContact O-NH1 2.93Å |
| 292 | C | 85 | Confident | 76 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 8% | 0.081 | 44% | 0.438 | C | S | . | . | trans | -87.8 | 129 | 172.8 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | C287 T289 P290 H305 | C287-C292 HydrophobicContact CB-CB 3.96Å; T289-C292 HydrophobicContact CG2-CB 4.37Å; T289-C292 VanDerWaalsContact O-CB 3.28Å; T289-C292 WeakPolarHBondContact O-CB 3.27Å; T289-C292 PolarHBondContact O-N 3.47Å; P290-C292 PolarHBondContact O-N 3.1Å; C292-H305 PolarHBondContact SG-CE1 3.31Å; C292-H305 PolarHBondContact SG-NE2 3.39Å | ||
| 293 | D | 84.4 | Confident | 78.1 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | trans | -83.4 | -10.5 | -176.2 | 62.7 | -27.1 | 0 | 0 | 0 | 113.7 | K286 S295 | K286-D293 WeakPolarHBondContact CE-O 3.45Å; K286-D293 VanDerWaalsContact CG-O 3.26Å; K286-D293 WeakPolarHBondContact CG-O 3.48Å; D293-S295 VanDerWaalsContact CG-OG 3.28Å; D293-S295 PolarHBondContact OD1-N 3.38Å; D293-S295 WeakPolarHBondContact OD2-CB 3.35Å; D293-S295 PolarHBondContact OD2-OG 2.98Å | ||
| 294 | G | 83.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 90 | -1.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H304 H305 | G294-H304 CarbonylContact O-C 3.5Å; G294-H304 VanDerWaalsContact O-CA 3.23Å; G294-H304 WeakPolarHBondContact O-CA 3.43Å; G294-H304 PolarHBondContact O-ND1 3.22Å; G294-H305 VanDerWaalsContact C-CE1 3.41Å; G294-H305 PolarHBondContact O-N 2.89Å; G294-H305 PolarHBondContact O-ND1 3.47Å; G294-H305 VanDerWaalsContact O-ND1 3.12Å |
| 295 | S | 84.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 44% | 0.441 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 149.2 | -179.4 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | D293 H305 | D293-S295 VanDerWaalsContact CG-OG 3.28Å; D293-S295 PolarHBondContact OD1-N 3.38Å; D293-S295 WeakPolarHBondContact OD2-CB 3.35Å; D293-S295 PolarHBondContact OD2-OG 2.98Å; S295-H305 PolarHBondContact O-CE1 3.36Å; S295-H305 PolarHBondContact O-ND1 3.16Å; S295-H305 VanDerWaalsContact O-ND1 3.17Å |
| 296 | G | 81.7 | Confident | 83 | Confident | 29 Ų | 29 | 68 Ų | 68 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 65.2 | -170.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y302 T303 H304 H305 | G296-Y302 CarbonylContact C-O 3.07Å; G296-Y302 WeakPolarHBondContact CA-O 3.49Å; G296-T303 PolarHBondContact N-O 2.97Å; G296-H304 CarbonylContact O-C 3.09Å; G296-H304 WeakPolarHBondContact O-CA 3.25Å; G296-H305 PolarHBondContact O-N 3.38Å; G296-H305 VanDerWaalsContact O-N 3.1Å; G296-H305 PolarHBondContact O-ND1 3.12Å |
| 297 | H | 90.8 | Very high | 83.3 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | trans | -148.6 | 152.2 | 174.7 | -167 | -95.8 | 0 | 0 | 0 | 109.8 | T299 G300 Y302 G310 | H297-T299 PolarHBondContact ND1-N 3.32Å; H297-T299 PolarHBondContact ND1-OG1 3.36Å; H297-T299 PolarHBondContact O-N 3.21Å; H297-G300 PolarHBondContact O-N 2.85Å; H297-Y302 HydrophobicContact CB-CD2 4.29Å; H297-Y302 WeakPolarHBondContact CB-O 3.27Å; H297-Y302 AromaticContact CG-CD2 3.87Å; H297-Y302 PolarHBondContact N-O 3.45Å; H297-Y302 VanDerWaalsContact N-O 3.14Å; H297-Y302 AromaticContact ND1-CD2 3.79Å; H297-G310 CarbonylContact C-O 3.43Å; H297-G310 VanDerWaalsContact CA-O 3.24Å; H297-G310 WeakPolarHBondContact CA-O 3.48Å; H297-G310 VanDerWaalsContact NE2-CA 3.27Å; H297-G310 WeakPolarHBondContact NE2-CA 3.39Å | ||
| 298 | S | 86.5 | Confident | 83.2 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -18.8 | 178.2 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | S309 G310 | S298-S309 PolarHBondContact OG-O 3.47Å; S298-G310 PolarHBondContact N-O 3.22Å; S298-G310 WeakPolarHBondContact OG-CA 3.11Å |
| 299 | T | 84.6 | Confident | 83.1 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 47% | 0.466 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 5.6 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | H297 L301 | H297-T299 PolarHBondContact ND1-N 3.32Å; H297-T299 PolarHBondContact ND1-OG1 3.36Å; H297-T299 PolarHBondContact O-N 3.21Å; T299-L301 PolarHBondContact O-N 2.62Å |
| 300 | G | 82.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 68% | 0.68 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 69.7 | -37.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | H297 Y302 | H297-G300 PolarHBondContact O-N 2.85Å; G300-Y302 PolarHBondContact O-N 3.26Å |
| 301 | L | 83.3 | Confident | 83.7 | Confident | 143 Ų | 143 | 62.9 Ų | 62.9 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -58.2 | -10.7 | -173.9 | -75.5 | 148.3 | 0 | 0 | 0 | 117.2 | T299 | T299-L301 PolarHBondContact O-N 2.62Š|
| 302 | Y | 82.8 | Confident | 84 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | trans | -134.6 | 140 | -177.9 | -53.3 | -84.1 | 0 | 0 | 0 | 111.5 | G296 H297 G300 H304 | G296-Y302 CarbonylContact C-O 3.07Å; G296-Y302 WeakPolarHBondContact CA-O 3.49Å; H297-Y302 HydrophobicContact CB-CD2 4.29Å; H297-Y302 WeakPolarHBondContact CB-O 3.27Å; H297-Y302 AromaticContact CG-CD2 3.87Å; H297-Y302 PolarHBondContact N-O 3.45Å; H297-Y302 VanDerWaalsContact N-O 3.14Å; H297-Y302 AromaticContact ND1-CD2 3.79Å; G300-Y302 PolarHBondContact O-N 3.26Å; Y302-H304 VanDerWaalsContact C-N 3.27Å; Y302-H304 PolarHBondContact O-N 3.33Å | ||
| 303 | T | 85.7 | Confident | 83.6 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 81% | 0.81 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -75 | -11.4 | -178.4 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | G296 | G296-T303 PolarHBondContact N-O 2.97Š|
| 304 | H | 88.6 | Confident | 83.1 | Confident | 78 Ų | 78 | 69 Ų | 69 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -151.8 | 141.6 | -176.4 | -169.7 | -38.6 | 0 | 0 | 0 | 111.6 | G294 G296 Y302 | G294-H304 CarbonylContact O-C 3.5Å; G294-H304 VanDerWaalsContact O-CA 3.23Å; G294-H304 WeakPolarHBondContact O-CA 3.43Å; G294-H304 PolarHBondContact O-ND1 3.22Å; G296-H304 CarbonylContact O-C 3.09Å; G296-H304 WeakPolarHBondContact O-CA 3.25Å; Y302-H304 VanDerWaalsContact C-N 3.27Å; Y302-H304 PolarHBondContact O-N 3.33Å |
| 305 | H | 89.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 2% | 0.023 | 41% | 0.413 | C | S | . | . | trans | -126.5 | 158.3 | 172.4 | 67.4 | -79.4 | 0 | 0 | 0 | 112.1 | C287 C292 G294 S295 G296 G310 C311 P312 | C287-H305 VanDerWaalsContact CB-NE2 3.29Å; C287-H305 WeakPolarHBondContact CB-NE2 3.26Å; C287-H305 PolarHBondContact SG-CD2 3Å; C287-H305 PolarHBondContact SG-NE2 2.97Å; C292-H305 PolarHBondContact SG-CE1 3.31Å; C292-H305 PolarHBondContact SG-NE2 3.39Å; G294-H305 VanDerWaalsContact C-CE1 3.41Å; G294-H305 PolarHBondContact O-N 2.89Å; G294-H305 PolarHBondContact O-ND1 3.47Å; G294-H305 VanDerWaalsContact O-ND1 3.12Å; S295-H305 PolarHBondContact O-CE1 3.36Å; S295-H305 PolarHBondContact O-ND1 3.16Å; S295-H305 VanDerWaalsContact O-ND1 3.17Å; G296-H305 PolarHBondContact O-N 3.38Å; G296-H305 VanDerWaalsContact O-N 3.1Å; G296-H305 PolarHBondContact O-ND1 3.12Å; H305-G310 WeakPolarHBondContact CB-O 3.48Å; H305-C311 VanDerWaalsContact CD2-CA 3.41Å; H305-C311 WeakPolarHBondContact CD2-CA 3.48Å; H305-C311 PolarHBondContact NE2-SG 3.4Å; H305-P312 WeakPolarHBondContact CE1-CD 3.05Å | ||
| 306 | R | 85.4 | Confident | 81.4 | Confident | 167 Ų | 167 | 80.1 Ų | 80.1 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | trans | -133.2 | 9.8 | -174.8 | -58.6 | -177.3 | -177.4 | 179.2 | -0.8 | 113.9 | ||||
| 307 | S | 81.2 | Confident | 80.4 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -154.7 | 159.1 | -172.1 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | S309 G310 C311 | S307-S309 PolarHBondContact O-N 3.03Å; S307-S309 PolarHBondContact OG-OG 3.18Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.1Å; S307-C311 PolarHBondContact O-N 3.31Å |
| 308 | L | 77.8 | Confident | 79 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -58.2 | -32.5 | 177.3 | -59.8 | -173.1 | 0 | 0 | 0 | 113.4 | P288 T289 G310 C311 L322 H325 | P288-L308 HydrophobicContact CG-CD2 4.18Å; P288-L308 HydrophobicContact CG-CG 4.41Å; T289-L308 WeakPolarHBondContact OG1-CD2 3.21Å; L308-G310 PolarHBondContact O-N 3.15Å; L308-C311 WeakPolarHBondContact O-CB 3.39Å; L308-C311 PolarHBondContact O-N 3.11Å; L308-C311 VanDerWaalsContact O-N 3.1Å; L308-L322 HydrophobicContact CD1-CD2 3.93Å; L308-H325 HydrophobicContact CD1-CB 4.2Å; L308-H325 WeakPolarHBondContact CD1-CD2 3.34Å; L308-H325 VanDerWaalsContact CG-CD2 3.43Å; L308-H325 WeakPolarHBondContact CG-CD2 3.18Å; L308-H325 WeakPolarHBondContact CG-NE2 3.34Å |
| 309 | S | 78.3 | Confident | 78 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -60.1 | -34.6 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | S298 S307 | S298-S309 PolarHBondContact OG-O 3.47Å; S307-S309 PolarHBondContact O-N 3.03Å; S307-S309 PolarHBondContact OG-OG 3.18Å |
| 310 | G | 78.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -94 | 0.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H297 S298 H305 S307 L308 P312 | H297-G310 CarbonylContact C-O 3.43Å; H297-G310 VanDerWaalsContact CA-O 3.24Å; H297-G310 WeakPolarHBondContact CA-O 3.48Å; H297-G310 VanDerWaalsContact NE2-CA 3.27Å; H297-G310 WeakPolarHBondContact NE2-CA 3.39Å; S298-G310 PolarHBondContact N-O 3.22Å; S298-G310 WeakPolarHBondContact OG-CA 3.11Å; H305-G310 WeakPolarHBondContact CB-O 3.48Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.1Å; L308-G310 PolarHBondContact O-N 3.15Å; G310-P312 WeakPolarHBondContact O-CD 3.5Å |
| 311 | C | 85.8 | Confident | 76 | Confident | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.007 | 42% | 0.424 | C | S | . | . | trans | -83.2 | 120.3 | -170.2 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | T289 H305 S307 L308 R313 K314 | T289-C311 PolarHBondContact OG1-SG 3.42Å; H305-C311 VanDerWaalsContact CD2-CA 3.41Å; H305-C311 WeakPolarHBondContact CD2-CA 3.48Å; H305-C311 PolarHBondContact NE2-SG 3.4Å; S307-C311 PolarHBondContact O-N 3.31Å; L308-C311 WeakPolarHBondContact O-CB 3.39Å; L308-C311 PolarHBondContact O-N 3.11Å; L308-C311 VanDerWaalsContact O-N 3.1Å; C311-R313 PolarHBondContact O-N 3.04Å; C311-R313 VanDerWaalsContact O-N 3.1Å; C311-R313 PolarHBondContact SG-N 2.92Å; C311-K314 HydrophobicContact CB-CB 4.29Å; C311-K314 WeakPolarHBondContact O-CB 3.39Å; C311-K314 PolarHBondContact O-N 3.42Å; C311-K314 VanDerWaalsContact O-N 3.09Å | ||
| 312 | P | 82.9 | Confident | 75 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 1.2 | 173 | 32 | -34.7 | 0 | 0 | 0 | 113.1 | H305 G310 | H305-P312 WeakPolarHBondContact CE1-CD 3.05Å; G310-P312 WeakPolarHBondContact O-CD 3.5Å |
| 313 | R | 77.3 | Confident | 74 | Confident | 117 Ų | 117 | 75.8 Ų | 75.8 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 10.9 | 171.9 | -54.2 | -173.2 | -171.7 | 167.6 | 7.2 | 113 | T289 G291 C311 D315 K316 | T289-R313 HydrophobicContact CG2-CB 4.47Å; G291-R313 PolarHBondContact O-NH1 2.93Å; C311-R313 PolarHBondContact O-N 3.04Å; C311-R313 VanDerWaalsContact O-N 3.1Å; C311-R313 PolarHBondContact SG-N 2.92Å; R313-D315 PolarHBondContact O-N 2.97Å; R313-D315 VanDerWaalsContact O-N 3.14Å; R313-K316 PolarHBondContact O-N 3.26Å |
| 314 | K | 74.3 | Confident | 72.8 | Confident | 102 Ų | 102 | 74.6 Ų | 74.6 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -47 | -43.4 | -179.3 | 176.4 | -168.3 | 168.9 | -142.2 | 0 | 112.2 | C311 K316 A317 | C311-K314 HydrophobicContact CB-CB 4.29Å; C311-K314 WeakPolarHBondContact O-CB 3.39Å; C311-K314 PolarHBondContact O-N 3.42Å; C311-K314 VanDerWaalsContact O-N 3.09Å; K314-K316 PolarHBondContact O-N 3.03Å; K314-K316 VanDerWaalsContact O-N 3.16Å; K314-A317 VanDerWaalsContact O-CB 3.27Å; K314-A317 WeakPolarHBondContact O-CB 3.44Å; K314-A317 PolarHBondContact O-N 3.41Å |
| 315 | D | 67.7 | Low | 71.4 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 66% | 0.663 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -80.8 | 5.2 | -172.4 | -29.4 | -65.9 | 0 | 0 | 0 | 113.1 | R313 | R313-D315 PolarHBondContact O-N 2.97Å; R313-D315 VanDerWaalsContact O-N 3.14Å |
| 316 | K | 64.9 | Low | 70.1 | Confident | 174 Ų | 174 | 78.9 Ų | 78.9 | 76% | 0.757 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -113.2 | 2.4 | 168.9 | -72.1 | 71.5 | 167.8 | 176.5 | 0 | 111.9 | R313 K314 | R313-K316 PolarHBondContact O-N 3.26Å; K314-K316 PolarHBondContact O-N 3.03Å; K314-K316 VanDerWaalsContact O-N 3.16Å |
| 317 | A | 60.9 | Low | 68.7 | Low | 15 Ų | 15 | 77.4 Ų | 77.4 | 12% | 0.124 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -70.3 | 133 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | T289 K314 V321 | T289-A317 HydrophobicContact CG2-CB 4.38Å; K314-A317 VanDerWaalsContact O-CB 3.27Å; K314-A317 WeakPolarHBondContact O-CB 3.44Å; K314-A317 PolarHBondContact O-N 3.41Å; A317-V321 HydrophobicContact CB-CB 4.34Å; A317-V321 HydrophobicContact CB-CG1 4.17Å |
| 318 | S | 61.7 | Low | 67.7 | Low | 48 Ų | 48 | 78.3 Ų | 78.3 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | trans | -67.7 | 157.2 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | E320 V321 L322 | S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.15Å; S318-V321 WeakPolarHBondContact O-CB 3.3Å; S318-V321 PolarHBondContact O-N 3.33Å; S318-V321 WeakPolarHBondContact OG-CG2 3.4Å; S318-V321 PolarHBondContact OG-N 2.81Å; S318-L322 PolarHBondContact O-N 2.92Å; S318-L322 VanDerWaalsContact O-N 3.1Å | ||
| 319 | P | 64.8 | Low | 66.7 | Low | 110 Ų | 110 | 81.9 Ų | 81.9 | 71% | 0.714 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.8 | -31.2 | 173.4 | -27.1 | 35.9 | 0 | 0 | 0 | 113.4 | L322 A323 | P319-L322 PolarHBondContact O-N 3.04Å; P319-A323 WeakPolarHBondContact O-CB 3.47Å; P319-A323 PolarHBondContact O-N 3.2Å |
| 320 | E | 62.3 | Low | 65.8 | Low | 148 Ų | 148 | 82.6 Ų | 82.6 | 69% | 0.692 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 174.6 | -176.3 | 178.3 | -148.4 | 0 | 0 | 112.6 | S318 L322 A323 L324 | S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.15Å; E320-L322 VanDerWaalsContact C-N 3.35Å; E320-A323 PolarHBondContact O-N 3.09Å; E320-L324 PolarHBondContact O-N 2.99Å |
| 321 | V | 62.3 | Low | 65.5 | Low | 15 Ų | 15 | 89.8 Ų | 89.8 | 9% | 0.091 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 171.5 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | P290 A317 S318 L324 H325 | P290-V321 HydrophobicContact CG-CG2 3.94Å; A317-V321 HydrophobicContact CB-CB 4.34Å; A317-V321 HydrophobicContact CB-CG1 4.17Å; S318-V321 WeakPolarHBondContact O-CB 3.3Å; S318-V321 PolarHBondContact O-N 3.33Å; S318-V321 WeakPolarHBondContact OG-CG2 3.4Å; S318-V321 PolarHBondContact OG-N 2.81Å; V321-L324 PolarHBondContact O-N 2.8Å; V321-H325 PolarHBondContact O-N 3.18Å; V321-H325 PolarHBondContact O-ND1 3.13Å |
| 322 | L | 62.1 | Low | 65.5 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.3 | -70.1 | 167.1 | 0 | 0 | 0 | 112.5 | L308 S318 P319 E320 H325 Q326 | L308-L322 HydrophobicContact CD1-CD2 3.93Å; S318-L322 PolarHBondContact O-N 2.92Å; S318-L322 VanDerWaalsContact O-N 3.1Å; P319-L322 PolarHBondContact O-N 3.04Å; E320-L322 VanDerWaalsContact C-N 3.35Å; L322-H325 PolarHBondContact O-N 3.18Å; L322-Q326 PolarHBondContact O-N 3.11Å |
| 323 | A | 62.9 | Low | 65.6 | Low | 48 Ų | 48 | 91.6 Ų | 91.6 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P319 E320 H325 Q326 E327 | P319-A323 WeakPolarHBondContact O-CB 3.47Å; P319-A323 PolarHBondContact O-N 3.2Å; E320-A323 PolarHBondContact O-N 3.09Å; A323-H325 PolarHBondContact O-N 3.12Å; A323-H325 VanDerWaalsContact O-N 3.12Å; A323-Q326 PolarHBondContact O-N 3.11Å; A323-E327 PolarHBondContact O-N 2.87Å; A323-E327 VanDerWaalsContact O-N 3.1Å |
| 324 | L | 61.2 | Low | 65.9 | Low | 107 Ų | 107 | 87.1 Ų | 87.1 | 56% | 0.56 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -54.7 | -31.6 | 174.3 | -84 | 164.1 | 0 | 0 | 0 | 112.7 | E320 V321 A328 | E320-L324 PolarHBondContact O-N 2.99Å; V321-L324 PolarHBondContact O-N 2.8Å; L324-A328 WeakPolarHBondContact O-CB 3.32Å; L324-A328 PolarHBondContact O-N 3.41Å |
| 325 | H | 58.5 | Low | 66.4 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 16% | 0.157 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -76.3 | -35.3 | 177.7 | -75.5 | 60.8 | 0 | 0 | 0 | 113.3 | P288 L308 V321 L322 A323 E327 I329 | P288-H325 VanDerWaalsContact CB-NE2 3.3Å; P288-H325 WeakPolarHBondContact CB-NE2 3.45Å; P288-H325 WeakPolarHBondContact CG-NE2 3.41Å; L308-H325 HydrophobicContact CD1-CB 4.2Å; L308-H325 WeakPolarHBondContact CD1-CD2 3.34Å; L308-H325 VanDerWaalsContact CG-CD2 3.43Å; L308-H325 WeakPolarHBondContact CG-CD2 3.18Å; L308-H325 WeakPolarHBondContact CG-NE2 3.34Å; V321-H325 PolarHBondContact O-N 3.18Å; V321-H325 PolarHBondContact O-ND1 3.13Å; L322-H325 PolarHBondContact O-N 3.18Å; A323-H325 PolarHBondContact O-N 3.12Å; A323-H325 VanDerWaalsContact O-N 3.12Å; H325-E327 VanDerWaalsContact C-N 3.33Å; H325-I329 HydrophobicContact CB-CD1 4.23Å; H325-I329 WeakPolarHBondContact CD2-CD1 3.42Å; H325-I329 WeakPolarHBondContact O-CB 3.35Å; H325-I329 PolarHBondContact O-N 3.48Å |
| 326 | Q | 61.2 | Low | 67.1 | Low | 140 Ų | 140 | 86.7 Ų | 86.7 | 65% | 0.654 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.7 | -35.9 | 174.2 | -70 | -178.7 | -12.3 | 0 | 0 | 111.4 | L322 A323 L330 | L322-Q326 PolarHBondContact O-N 3.11Å; A323-Q326 PolarHBondContact O-N 3.11Å; Q326-L330 WeakPolarHBondContact O-CB 3.49Å; Q326-L330 WeakPolarHBondContact O-CD1 3.45Å |
| 327 | E | 57 | Low | 68.3 | Low | 135 Ų | 135 | 79.1 Ų | 79.1 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -82.2 | -42.3 | -180 | -61.5 | -163.2 | 159.1 | 0 | 0 | 113.8 | A323 H325 | A323-E327 PolarHBondContact O-N 2.87Å; A323-E327 VanDerWaalsContact O-N 3.1Å; H325-E327 VanDerWaalsContact C-N 3.33Å |
| 328 | A | 58.6 | Low | 69.5 | Low | 68 Ų | 68 | 83.4 Ų | 83.4 | 56% | 0.562 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -92.5 | -16.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L324 | L324-A328 WeakPolarHBondContact O-CB 3.32Å; L324-A328 PolarHBondContact O-N 3.41Å |
| 329 | I | 56.9 | Low | 70.6 | Confident | 94 Ų | 94 | 81.4 Ų | 81.4 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -111.8 | -21.3 | -174.5 | -52.5 | -175.1 | 0 | 0 | 0 | 112.9 | H325 | H325-I329 HydrophobicContact CB-CD1 4.23Å; H325-I329 WeakPolarHBondContact CD2-CD1 3.42Å; H325-I329 WeakPolarHBondContact O-CB 3.35Å; H325-I329 PolarHBondContact O-N 3.48Å |
| 330 | L | 60.9 | Low | 71.7 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -81.7 | -17.3 | 173.4 | -63.9 | 179.6 | 0 | 0 | 0 | 113.4 | Q326 | Q326-L330 WeakPolarHBondContact O-CB 3.49Å; Q326-L330 WeakPolarHBondContact O-CD1 3.45Å |
| 331 | R | 71 | Confident | 72.8 | Confident | 151 Ų | 151 | 78 Ų | 78 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -114.2 | 158.7 | -178.3 | -66.9 | 178.3 | 179.8 | 150.3 | 2.9 | 111.4 | ||
| 332 | C | 85.9 | Confident | 74.2 | Confident | 9 Ų | 9 | 79.5 Ų | 79.5 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | trans | -72 | 139.8 | 175.5 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | T334 C337 H350 S352 C356 | C332-T334 PolarHBondContact O-N 2.89Å; C332-T334 PolarHBondContact SG-OG1 2.97Å; C332-C337 HydrophobicContact CB-CB 4.12Å; C332-H350 WeakPolarHBondContact CB-NE2 3.08Å; C332-S352 VanDerWaalsContact SG-C 3.55Å; C332-S352 PolarHBondContact SG-O 2.84Å; C332-C356 VanDerWaalsContact SG-CB 3.55Å | ||
| 333 | P | 84.9 | Confident | 75.5 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -63.7 | -6.4 | 174.3 | -23.6 | 33.9 | 0 | 0 | 0 | 115.7 | V335 V353 | P333-V335 PolarHBondContact O-N 3.24Å; P333-V353 HydrophobicContact CB-CG2 3.85Å; P333-V353 HydrophobicContact CG-CG2 4.05Å |
| 334 | T | 83.8 | Confident | 76.6 | Confident | 23 Ų | 23 | 80.5 Ų | 80.5 | 14% | 0.141 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -73 | 119.5 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | C332 G336 C337 L358 A359 | C332-T334 PolarHBondContact O-N 2.89Å; C332-T334 PolarHBondContact SG-OG1 2.97Å; T334-G336 PolarHBondContact O-N 3.18Å; T334-C337 HydrophobicContact CG2-CB 4.31Å; T334-C337 WeakPolarHBondContact O-CB 3.48Å; T334-C337 PolarHBondContact O-N 3.43Å; T334-L358 HydrophobicContact CG2-CB 4.05Å; T334-A359 HydrophobicContact CG2-CB 4.45Å |
| 335 | V | 85.2 | Confident | 77.6 | Confident | 146 Ų | 146 | 81.9 Ų | 81.9 | 89% | 0.885 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 132.7 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | P333 C337 | P333-V335 PolarHBondContact O-N 3.24Å; V335-C337 VanDerWaalsContact C-N 3.26Å; V335-C337 PolarHBondContact O-N 3.45Å |
| 336 | G | 82.8 | Confident | 78.7 | Confident | 72 Ų | 72 | 87.7 Ų | 87.7 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 0.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T334 | T334-G336 PolarHBondContact O-N 3.18Š|
| 337 | C | 88.6 | Confident | 79.9 | Confident | 15 Ų | 15 | 88.6 Ų | 88.6 | 10% | 0.101 | 50% | 0.5 | C | S | . | . | trans | -86.5 | 132.6 | -178.1 | -160.6 | 0 | 0 | 0 | 0 | 113.8 | C332 T334 V335 H350 C356 L358 | C332-C337 HydrophobicContact CB-CB 4.12Å; T334-C337 HydrophobicContact CG2-CB 4.31Å; T334-C337 WeakPolarHBondContact O-CB 3.48Å; T334-C337 PolarHBondContact O-N 3.43Å; V335-C337 VanDerWaalsContact C-N 3.26Å; V335-C337 PolarHBondContact O-N 3.45Å; C337-H350 PolarHBondContact SG-CE1 3.12Å; C337-H350 PolarHBondContact SG-NE2 2.81Å; C337-C356 PolarHBondContact SG-SG 2.94Å; C337-L358 HydrophobicContact CB-CD1 3.9Å | ||
| 338 | T | 86.3 | Confident | 81.3 | Confident | 104 Ų | 104 | 89.4 Ų | 89.4 | 64% | 0.638 | 50% | 0.503 | S | S | * | . | trans | -91 | 2.7 | -178.1 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | K340 | T338-K340 PolarHBondContact O-N 3.27Š| ||
| 339 | G | 85.5 | Confident | 82.7 | Confident | 7 Ų | 7 | 89 Ų | 89 | 7% | 0.072 | 49% | 0.494 | C | S | . | . | S | Bend | trans | 72.1 | -1.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T349 H350 | G339-T349 CarbonylContact O-C 3.2Å; G339-T349 VanDerWaalsContact O-CA 3.25Å; G339-T349 WeakPolarHBondContact O-CA 3.18Å; G339-H350 PolarHBondContact O-N 3.44Å; G339-H350 PolarHBondContact O-ND1 3.13Å |
| 340 | K | 87.3 | Confident | 84.3 | Confident | 156 Ų | 156 | 84.9 Ų | 84.9 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | B | Isolated β-bridge | trans | -80.1 | 151.5 | 175.3 | -64.3 | -176.2 | 178.1 | -177.8 | 0 | 111.7 | T338 H350 | T338-K340 PolarHBondContact O-N 3.27Å; K340-H350 PolarHBondContact O-CE1 3.5Å; K340-H350 VanDerWaalsContact O-CE1 3.25Å; K340-H350 PolarHBondContact O-ND1 3.29Å |
| 341 | G | 85.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 88.4 Ų | 88.4 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 70.7 | 178.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | H348 T349 H350 | G341-H348 WeakPolarHBondContact CA-O 3.47Å; G341-H348 PolarHBondContact N-O 2.84Å; G341-T349 CarbonylContact O-C 3.47Å; G341-T349 VanDerWaalsContact O-C 3.22Å; G341-T349 WeakPolarHBondContact O-CA 3.47Å; G341-H350 PolarHBondContact O-N 3.43Å; G341-H350 PolarHBondContact O-ND1 3.11Å |
| 342 | H | 93.2 | Very high | 86.4 | Confident | 47 Ų | 47 | 83.4 Ų | 83.4 | 22% | 0.218 | 47% | 0.467 | C | S | . | . | trans | -152.2 | 162.6 | 171 | -162.1 | -87.7 | 0 | 0 | 0 | 109.3 | N344 R347 T349 G355 | H342-N344 PolarHBondContact CE1-OD1 2.84Å; H342-N344 PolarHBondContact ND1-N 2.95Å; H342-N344 PolarHBondContact ND1-OD1 2.93Å; H342-N344 PolarHBondContact O-N 3.38Å; H342-N344 VanDerWaalsContact O-N 3.13Å; H342-R347 HydrophobicContact CB-CB 3.89Å; H342-R347 WeakPolarHBondContact CB-O 3.24Å; H342-T349 PolarHBondContact CD2-O 3.25Å; H342-G355 CarbonylContact C-O 3.15Å; H342-G355 VanDerWaalsContact CA-O 3.25Å; H342-G355 WeakPolarHBondContact CA-O 3.36Å | ||
| 343 | V | 87.8 | Confident | 86.4 | Confident | 62 Ų | 62 | 85.9 Ų | 85.9 | 38% | 0.376 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -69.1 | 0.1 | 170.9 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | S354 G355 C356 A360 | V343-S354 WeakPolarHBondContact CG2-O 3.37Å; V343-G355 PolarHBondContact N-O 2.93Å; V343-C356 VanDerWaalsContact CG1-O 3.29Å; V343-C356 WeakPolarHBondContact CG1-O 3.36Å; V343-A360 HydrophobicContact CG1-CB 3.59Å |
| 344 | N | 86.9 | Confident | 86.5 | Confident | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -127.5 | 132.6 | 175.7 | -53.6 | 93.4 | 0 | 0 | 0 | 107.5 | H342 N346 R347 | H342-N344 PolarHBondContact CE1-OD1 2.84Å; H342-N344 PolarHBondContact ND1-N 2.95Å; H342-N344 PolarHBondContact ND1-OD1 2.93Å; H342-N344 PolarHBondContact O-N 3.38Å; H342-N344 VanDerWaalsContact O-N 3.13Å; N344-N346 PolarHBondContact O-N 3.18Å; N344-R347 PolarHBondContact O-N 2.86Å |
| 345 | S | 82.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 84.9 Ų | 84.9 | 94% | 0.944 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -25.3 | 175.8 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | R347 | S345-R347 PolarHBondContact O-N 3.18Å; S345-R347 VanDerWaalsContact O-N 3.17Å |
| 346 | N | 82.2 | Confident | 87 | Confident | 157 Ų | 157 | 78 Ų | 78 | 84% | 0.84 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 8.4 | -179.3 | -145.8 | 109.2 | 0 | 0 | 0 | 114.8 | N344 | N344-N346 PolarHBondContact O-N 3.18Š|
| 347 | R | 85.5 | Confident | 87.4 | Confident | 159 Ų | 159 | 76.5 Ų | 76.5 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | trans | -149.7 | 136.2 | 175 | -160.7 | -177.4 | -69 | -96.7 | 1.4 | 112.5 | H342 N344 S345 T349 | H342-R347 HydrophobicContact CB-CB 3.89Å; H342-R347 WeakPolarHBondContact CB-O 3.24Å; N344-R347 PolarHBondContact O-N 2.86Å; S345-R347 PolarHBondContact O-N 3.18Å; S345-R347 VanDerWaalsContact O-N 3.17Å; R347-T349 WeakPolarHBondContact CD-O 3.22Å; R347-T349 VanDerWaalsContact CG-O 3.31Å; R347-T349 WeakPolarHBondContact CG-O 3.22Å | ||
| 348 | H | 86.8 | Confident | 87.4 | Confident | 151 Ų | 151 | 79.7 Ų | 79.7 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -94.3 | -3.3 | -176.6 | 67.8 | 92.8 | 0 | 0 | 0 | 114.7 | G341 | G341-H348 WeakPolarHBondContact CA-O 3.47Å; G341-H348 PolarHBondContact N-O 2.84Å |
| 349 | T | 88.7 | Confident | 87.6 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -145.9 | 154.1 | -179.6 | 42.5 | 0 | 0 | 0 | 0 | 111.5 | G339 G341 H342 R347 | G339-T349 CarbonylContact O-C 3.2Å; G339-T349 VanDerWaalsContact O-CA 3.25Å; G339-T349 WeakPolarHBondContact O-CA 3.18Å; G341-T349 CarbonylContact O-C 3.47Å; G341-T349 VanDerWaalsContact O-C 3.22Å; G341-T349 WeakPolarHBondContact O-CA 3.47Å; H342-T349 PolarHBondContact CD2-O 3.25Å; R347-T349 WeakPolarHBondContact CD-O 3.22Å; R347-T349 VanDerWaalsContact CG-O 3.31Å; R347-T349 WeakPolarHBondContact CG-O 3.22Å |
| 350 | H | 89.5 | Confident | 87.8 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.037 | 41% | 0.407 | C | S | . | . | trans | -142.3 | 157.1 | 176.4 | 68 | -81.1 | 0 | 0 | 0 | 111.6 | C332 C337 G339 K340 G341 G355 C356 | C332-H350 WeakPolarHBondContact CB-NE2 3.08Å; C337-H350 PolarHBondContact SG-CE1 3.12Å; C337-H350 PolarHBondContact SG-NE2 2.81Å; G339-H350 PolarHBondContact O-N 3.44Å; G339-H350 PolarHBondContact O-ND1 3.13Å; K340-H350 PolarHBondContact O-CE1 3.5Å; K340-H350 VanDerWaalsContact O-CE1 3.25Å; K340-H350 PolarHBondContact O-ND1 3.29Å; G341-H350 PolarHBondContact O-N 3.43Å; G341-H350 PolarHBondContact O-ND1 3.11Å; H350-G355 WeakPolarHBondContact CB-O 3.45Å; H350-C356 VanDerWaalsContact CD2-CA 3.42Å; H350-C356 WeakPolarHBondContact CD2-CA 3.37Å; H350-C356 WeakPolarHBondContact NE2-CB 3.31Å; H350-C356 PolarHBondContact NE2-SG 3.36Å | ||
| 351 | R | 89 | Confident | 87.8 | Confident | 182 Ų | 182 | 72.8 Ų | 72.8 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | trans | -126.2 | -4.5 | 178.8 | -58.4 | 179.8 | -171.4 | 168.5 | 1.1 | 113.6 | ||||
| 352 | S | 87.4 | Confident | 87.8 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -126.8 | 155.3 | -174.1 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | C332 S354 G355 C356 | C332-S352 VanDerWaalsContact SG-C 3.55Å; C332-S352 PolarHBondContact SG-O 2.84Å; S352-S354 PolarHBondContact O-N 3.38Å; S352-S354 VanDerWaalsContact O-N 3.16Å; S352-S354 PolarHBondContact OG-OG 3.39Å; S352-G355 PolarHBondContact O-N 2.82Å; S352-G355 PolarHBondContact OG-N 2.91Å; S352-C356 PolarHBondContact O-N 2.97Å |
| 353 | V | 86.1 | Confident | 87.5 | Confident | 61 Ų | 61 | 78.4 Ų | 78.4 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20 | 173 | -172 | 0 | 0 | 0 | 0 | 112.2 | P333 A359 | P333-V353 HydrophobicContact CB-CG2 3.85Å; P333-V353 HydrophobicContact CG-CG2 4.05Å; V353-A359 HydrophobicContact CG1-CB 3.69Å |
| 354 | S | 87.4 | Confident | 87.3 | Confident | 94 Ų | 94 | 80.8 Ų | 80.8 | 66% | 0.657 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -32.4 | 171.7 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | V343 S352 | V343-S354 WeakPolarHBondContact CG2-O 3.37Å; S352-S354 PolarHBondContact O-N 3.38Å; S352-S354 VanDerWaalsContact O-N 3.16Å; S352-S354 PolarHBondContact OG-OG 3.39Å |
| 355 | G | 87.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.01 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H342 V343 H350 S352 | H342-G355 CarbonylContact C-O 3.15Å; H342-G355 VanDerWaalsContact CA-O 3.25Å; H342-G355 WeakPolarHBondContact CA-O 3.36Å; V343-G355 PolarHBondContact N-O 2.93Å; H350-G355 WeakPolarHBondContact CB-O 3.45Å; S352-G355 PolarHBondContact O-N 2.82Å; S352-G355 PolarHBondContact OG-N 2.91Å |
| 356 | C | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | -84.3 | 123.1 | -168.5 | -174.2 | 0 | 0 | 0 | 0 | 114 | C332 C337 V343 H350 S352 L358 A359 A360 | C332-C356 VanDerWaalsContact SG-CB 3.55Å; C337-C356 PolarHBondContact SG-SG 2.94Å; V343-C356 VanDerWaalsContact CG1-O 3.29Å; V343-C356 WeakPolarHBondContact CG1-O 3.36Å; H350-C356 VanDerWaalsContact CD2-CA 3.42Å; H350-C356 WeakPolarHBondContact CD2-CA 3.37Å; H350-C356 WeakPolarHBondContact NE2-CB 3.31Å; H350-C356 PolarHBondContact NE2-SG 3.36Å; S352-C356 PolarHBondContact O-N 2.97Å; C356-L358 VanDerWaalsContact C-N 3.33Å; C356-L358 PolarHBondContact O-N 3.18Å; C356-A359 HydrophobicContact CB-CB 3.85Å; C356-A359 PolarHBondContact O-N 3.02Å; C356-A360 PolarHBondContact O-N 2.93Å | ||
| 357 | P | 90.6 | Very high | 87 | Confident | 42 Ų | 42 | 84.1 Ų | 84.1 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 177.5 | 26.2 | -32.9 | 0 | 0 | 0 | 112.5 | A360 L361 | P357-A360 PolarHBondContact O-N 3.26Å; P357-L361 WeakPolarHBondContact O-CG 3.48Å; P357-L361 PolarHBondContact O-N 2.99Å |
| 358 | L | 88.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.6 | -60.1 | 179 | 0 | 0 | 0 | 111.6 | T334 C337 C356 A360 L361 E362 | T334-L358 HydrophobicContact CG2-CB 4.05Å; C337-L358 HydrophobicContact CB-CD1 3.9Å; C356-L358 VanDerWaalsContact C-N 3.33Å; C356-L358 PolarHBondContact O-N 3.18Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3.41Å; L358-L361 PolarHBondContact O-N 3.33Å; L358-E362 PolarHBondContact O-N 2.92Å |
| 359 | A | 89.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 2% | 0.017 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.9 | -26.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | T334 V353 C356 K363 | T334-A359 HydrophobicContact CG2-CB 4.45Å; V353-A359 HydrophobicContact CG1-CB 3.69Å; C356-A359 HydrophobicContact CB-CB 3.85Å; C356-A359 PolarHBondContact O-N 3.02Å; A359-K363 WeakPolarHBondContact O-CB 3.4Å; A359-K363 WeakPolarHBondContact O-CD 3.39Å; A359-K363 VanDerWaalsContact O-CG 3.23Å; A359-K363 WeakPolarHBondContact O-CG 3.34Å; A359-K363 PolarHBondContact O-N 2.95Å |
| 360 | A | 90.2 | Very high | 83.8 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 24% | 0.24 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71 | -44.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V343 C356 P357 L358 K363 Q364 | V343-A360 HydrophobicContact CG1-CB 3.59Å; C356-A360 PolarHBondContact O-N 2.93Å; P357-A360 PolarHBondContact O-N 3.26Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3.41Å; A360-K363 PolarHBondContact O-N 3.38Å; A360-Q364 WeakPolarHBondContact O-CG 3.35Å; A360-Q364 PolarHBondContact O-N 3.39Å |
| 361 | L | 87.6 | Confident | 82.2 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.5 | -74.2 | 166.1 | 0 | 0 | 0 | 111.7 | P357 L358 K363 Q364 Q365 | P357-L361 WeakPolarHBondContact O-CG 3.48Å; P357-L361 PolarHBondContact O-N 2.99Å; L358-L361 PolarHBondContact O-N 3.33Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.25Å; L361-Q364 PolarHBondContact O-N 3.5Å; L361-Q364 VanDerWaalsContact O-N 3.1Å; L361-Q365 WeakPolarHBondContact O-CG 3.37Å; L361-Q365 PolarHBondContact O-N 2.91Å |
| 362 | E | 86.2 | Confident | 80.4 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 38% | 0.379 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175.7 | -162.5 | -156.5 | 149.4 | 0 | 0 | 111.6 | L358 Q364 Q365 R366 | L358-E362 PolarHBondContact O-N 2.92Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-Q364 PolarHBondContact O-N 2.89Å; E362-Q365 PolarHBondContact O-N 2.87Å; E362-R366 WeakPolarHBondContact O-CB 3.31Å; E362-R366 VanDerWaalsContact O-CG 3.28Å; E362-R366 WeakPolarHBondContact O-CG 3.44Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE1-CZ 3.68Å; E362-R366 IonicContact OE1-NE 3.68Å; E362-R366 PolarHBondContact OE1-NE 3.03Å; E362-R366 IonicContact OE1-NH2 2.72Å; E362-R366 PolarHBondContact OE1-NH2 3.48Å |
| 363 | K | 86 | Confident | 78.2 | Confident | 113 Ų | 113 | 85.5 Ų | 85.5 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.1 | -30.9 | 174.7 | -74.7 | 169.9 | -177.8 | 172.6 | 0 | 113.1 | A359 A360 L361 K367 | A359-K363 WeakPolarHBondContact O-CB 3.4Å; A359-K363 WeakPolarHBondContact O-CD 3.39Å; A359-K363 VanDerWaalsContact O-CG 3.23Å; A359-K363 WeakPolarHBondContact O-CG 3.34Å; A359-K363 PolarHBondContact O-N 2.95Å; A360-K363 PolarHBondContact O-N 3.38Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.25Å; K363-K367 WeakPolarHBondContact O-CG 3Å; K363-K367 PolarHBondContact O-N 3.45Å |
| 364 | Q | 83.5 | Confident | 76.2 | Confident | 112 Ų | 112 | 89.7 Ų | 89.7 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.7 | -44.5 | 173.7 | -75.4 | 172.5 | -35 | 0 | 0 | 111.2 | A360 L361 E362 R366 K367 L368 | A360-Q364 WeakPolarHBondContact O-CG 3.35Å; A360-Q364 PolarHBondContact O-N 3.39Å; L361-Q364 PolarHBondContact O-N 3.5Å; L361-Q364 VanDerWaalsContact O-N 3.1Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-Q364 PolarHBondContact O-N 2.89Å; Q364-R366 PolarHBondContact O-N 3.1Å; Q364-K367 WeakPolarHBondContact O-CB 3.27Å; Q364-K367 PolarHBondContact O-N 3.12Å; Q364-L368 WeakPolarHBondContact O-CG 3.38Å; Q364-L368 PolarHBondContact O-N 3.18Å |
| 365 | Q | 86 | Confident | 73.7 | Confident | 128 Ų | 128 | 92.4 Ų | 92.4 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.3 | -46.5 | 174.4 | -72.7 | 176 | -18 | 0 | 0 | 111.6 | L361 E362 K367 L368 S369 | L361-Q365 WeakPolarHBondContact O-CG 3.37Å; L361-Q365 PolarHBondContact O-N 2.91Å; E362-Q365 PolarHBondContact O-N 2.87Å; Q365-K367 PolarHBondContact O-N 2.97Å; Q365-L368 PolarHBondContact O-N 3.1Å; Q365-S369 WeakPolarHBondContact O-CB 3.47Å; Q365-S369 PolarHBondContact O-N 2.88Å; Q365-S369 PolarHBondContact O-OG 3.18Å |
| 366 | R | 82.2 | Confident | 71.4 | Confident | 166 Ų | 166 | 99 Ų | 99 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -20.1 | 174.8 | -71.7 | 172.5 | 180 | -103.1 | 9.2 | 114.3 | E362 Q364 | E362-R366 WeakPolarHBondContact O-CB 3.31Å; E362-R366 VanDerWaalsContact O-CG 3.28Å; E362-R366 WeakPolarHBondContact O-CG 3.44Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE1-CZ 3.68Å; E362-R366 IonicContact OE1-NE 3.68Å; E362-R366 PolarHBondContact OE1-NE 3.03Å; E362-R366 IonicContact OE1-NH2 2.72Å; E362-R366 PolarHBondContact OE1-NH2 3.48Å; Q364-R366 PolarHBondContact O-N 3.1Å |
| 367 | K | 77.6 | Confident | 68.9 | Low | 158 Ų | 158 | 109 Ų | 109 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -82.9 | -47.1 | 171.1 | -76.8 | 178.7 | 175.9 | -166.9 | 0 | 111.2 | K363 Q364 Q365 S369 K370 A371 | K363-K367 WeakPolarHBondContact O-CG 3Å; K363-K367 PolarHBondContact O-N 3.45Å; Q364-K367 WeakPolarHBondContact O-CB 3.27Å; Q364-K367 PolarHBondContact O-N 3.12Å; Q365-K367 PolarHBondContact O-N 2.97Å; K367-S369 VanDerWaalsContact C-N 3.33Å; K367-S369 PolarHBondContact O-N 3.05Å; K367-K370 CarbonylContact O-C 3.47Å; K367-K370 PolarHBondContact O-N 3.14Å; K367-A371 PolarHBondContact O-N 3.25Å |
| 368 | L | 71 | Confident | 66.4 | Low | 127 Ų | 127 | 113.3 Ų | 113.3 | 67% | 0.665 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.2 | -43.7 | 177.6 | -68.6 | 168 | 0 | 0 | 0 | 111.6 | Q364 Q365 K370 A371 S372 | Q364-L368 WeakPolarHBondContact O-CG 3.38Å; Q364-L368 PolarHBondContact O-N 3.18Å; Q365-L368 PolarHBondContact O-N 3.1Å; L368-K370 PolarHBondContact O-N 3.45Å; L368-K370 VanDerWaalsContact O-N 3.13Å; L368-A371 PolarHBondContact O-N 3.17Å; L368-S372 PolarHBondContact O-N 2.72Å |
| 369 | S | 63.8 | Low | 64.1 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.3 | -2.2 | 175.8 | 75 | 0 | 0 | 0 | 0 | 114.7 | Q365 K367 | Q365-S369 WeakPolarHBondContact O-CB 3.47Å; Q365-S369 PolarHBondContact O-N 2.88Å; Q365-S369 PolarHBondContact O-OG 3.18Å; K367-S369 VanDerWaalsContact C-N 3.33Å; K367-S369 PolarHBondContact O-N 3.05Å |
| 370 | K | 57.5 | Low | 61.7 | Low | 184 Ų | 184 | 119 Ų | 119 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -116.8 | -14.8 | 174.9 | -167 | 164.3 | -177.3 | 175.7 | 0 | 112.9 | K367 L368 | K367-K370 CarbonylContact O-C 3.47Å; K367-K370 PolarHBondContact O-N 3.14Å; L368-K370 PolarHBondContact O-N 3.45Å; L368-K370 VanDerWaalsContact O-N 3.13Å |
| 371 | A | 57.4 | Low | 59.2 | Low | 85 Ų | 85 | 124.2 Ų | 124.2 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -85.1 | -33.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K367 L368 G373 | K367-A371 PolarHBondContact O-N 3.25Å; L368-A371 PolarHBondContact O-N 3.17Å; A371-G373 PolarHBondContact O-N 2.83Å |
| 372 | S | 50.9 | Low | 56.7 | Low | 72 Ų | 72 | 123.5 Ų | 123.5 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -75.4 | 100.8 | 169.1 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | L368 Q374 | L368-S372 PolarHBondContact O-N 2.72Å; S372-Q374 PolarHBondContact O-N 3.43Å |
| 373 | G | 41.1 | Very low | 54.7 | Low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | -70.7 | 23.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A371 N375 | A371-G373 PolarHBondContact O-N 2.83Å; G373-N375 PolarHBondContact O-N 3.34Å | ||
| 374 | Q | 44.7 | Very low | 52.3 | Low | 149 Ų | 149 | 125.4 Ų | 125.4 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | trans | -82.2 | 101.9 | 177.7 | -70.2 | -167.8 | -11.5 | 0 | 0 | 111 | S372 I376 | S372-Q374 PolarHBondContact O-N 3.43Å; Q374-I376 HydrophobicContact CB-CD1 4.49Å; Q374-I376 HydrophobicContact CB-CG1 4.32Å; Q374-I376 PolarHBondContact O-N 2.91Å | ||
| 375 | N | 34.8 | Very low | 50 | Low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | -75.6 | 57.8 | -176.4 | -164.2 | -6.2 | 0 | 0 | 0 | 112.9 | G373 R377 | G373-N375 PolarHBondContact O-N 3.34Å; N375-R377 PolarHBondContact O-N 3.07Å; N375-R377 VanDerWaalsContact O-N 3.07Å | ||
| 376 | I | 38.3 | Very low | 47.9 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -78.5 | 92.2 | 178.7 | -55.1 | 179.4 | 0 | 0 | 0 | 108.9 | Q374 | Q374-I376 HydrophobicContact CB-CD1 4.49Å; Q374-I376 HydrophobicContact CB-CG1 4.32Å; Q374-I376 PolarHBondContact O-N 2.91Å | ||
| 377 | R | 39.2 | Very low | 45.9 | Very low | 210 Ų | 210 | 126.8 Ų | 126.8 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -54.1 | 134.4 | 167.9 | -77.3 | -178.3 | 164.7 | -150.4 | -1.4 | 110.2 | N375 S379 | N375-R377 PolarHBondContact O-N 3.07Å; N375-R377 VanDerWaalsContact O-N 3.07Å; R377-S379 VanDerWaalsContact C-N 3.26Å; R377-S379 PolarHBondContact O-N 3.16Å | ||
| 378 | P | 39.2 | Very low | 43.8 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -72.2 | 83.6 | 166.9 | 30.8 | -33.6 | 0 | 0 | 0 | 109.5 | S380 | P378-S380 PolarHBondContact O-N 3.21Å; P378-S380 VanDerWaalsContact O-N 3.12Å | ||
| 379 | S | 39.6 | Very low | 42 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 105.3 | 175.4 | -167.5 | 0 | 0 | 0 | 0 | 110 | R377 | R377-S379 VanDerWaalsContact C-N 3.26Å; R377-S379 PolarHBondContact O-N 3.16Å | ||
| 380 | S | 40.1 | Very low | 40.8 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | -62 | 143.9 | 165.6 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | P378 | P378-S380 PolarHBondContact O-N 3.21Å; P378-S380 VanDerWaalsContact O-N 3.12Å | ||
| 381 | T | 37.1 | Very low | 39.8 | Very low | 140 Ų | 140 | 126 Ų | 126 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | 67.8 | 120 | 177.2 | 69.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 382 | G | 35.6 | Very low | 38.6 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | 169.1 | 72.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 383 | S | 42.4 | Very low | 38.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 28.5 | 101.2 | 165.2 | -162.9 | 0 | 0 | 0 | 0 | 119.1 | S385 | S383-S385 PolarHBondContact O-N 3.18Š| ||
| 384 | V | 36.4 | Very low | 38 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 110.8 | 167.4 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L386 | V384-L386 HydrophobicContact CG1-CB 4.31Å; V384-L386 HydrophobicContact CG1-CD1 3.77Å; V384-L386 HydrophobicContact CG1-CG 3.82Å; V384-L386 PolarHBondContact O-N 2.76Å | ||
| 385 | S | 35.8 | Very low | 37.8 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -91.5 | 91.4 | 169.2 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | S383 | S383-S385 PolarHBondContact O-N 3.18Š| ||
| 386 | L | 41.2 | Very low | 37.9 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -113.3 | 110.7 | 170.9 | -86.3 | 170.1 | 0 | 0 | 0 | 109.7 | V384 | V384-L386 HydrophobicContact CG1-CB 4.31Å; V384-L386 HydrophobicContact CG1-CD1 3.77Å; V384-L386 HydrophobicContact CG1-CG 3.82Å; V384-L386 PolarHBondContact O-N 2.76Å | ||
| 387 | N | 39.8 | Very low | 37.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -120.3 | 121.3 | 175.2 | -99 | -2.6 | 0 | 0 | 0 | 110 | ||||
| 388 | G | 34 | Very low | 37.8 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | 82.8 | 141.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 389 | Y | 34.4 | Very low | 37.5 | Very low | 237 Ų | 237 | 132.7 Ų | 132.7 | 93% | 0.929 | 79% | 0.786 | S | S | * | * | cis | -132.5 | -179.4 | 2.3 | -107.8 | -92.9 | 0 | 0 | 0 | 112.6 | ||||
| 390 | S | 37.9 | Very low | 37.6 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | trans | -112.7 | 162.1 | -148.6 | 56.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 391 | N | 35.9 | Very low | 37.6 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 70.4 | 109.1 | 153.4 | -61.7 | -19.4 | 0 | 0 | 0 | 119.8 | ||||
| 392 | G | 32.8 | Very low | 37.5 | Very low | 68 Ų | 68 | 144.5 Ų | 144.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 168.1 | 93.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 393 | K | 42.3 | Very low | 37.3 | Very low | 211 Ų | 211 | 152.7 Ų | 152.7 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | 70.7 | 91.1 | 149.4 | -56.3 | 166.6 | -175.5 | 172.4 | 0 | 119.2 | ||||
| 394 | S | 37.2 | Very low | 37 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 51.2 | 100.7 | 134.4 | -173 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 395 | P | 39.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 155 Ų | 155 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -86.6 | 148.6 | 169.7 | 35.4 | -33.5 | 0 | 0 | 0 | 113.5 | ||||
| 396 | K | 37.8 | Very low | 36.8 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -143.9 | 154.7 | 151.7 | -72.5 | -165.6 | 177.6 | -177.5 | 0 | 109.1 | ||||
| 397 | D | 35.7 | Very low | 36.8 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 58.1 | 74.4 | 162.2 | -46.6 | -29.8 | 0 | 0 | 0 | 117.6 | ||
| 398 | I | 38.8 | Very low | 36.3 | Very low | 169 Ų | 169 | 158 Ų | 158 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -164.3 | 99.2 | 140.4 | -90.6 | 141.2 | 0 | 0 | 0 | 106.9 | ||||
| 399 | D | 34.1 | Very low | 36.2 | Very low | 144 Ų | 144 | 160.2 Ų | 160.2 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -161.2 | 54.9 | 162.8 | -135.8 | -17.5 | 0 | 0 | 0 | 113 | ||||
| 400 | H | 41.4 | Very low | 36.3 | Very low | 189 Ų | 189 | 155.1 Ų | 155.1 | 88% | 0.875 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -135.1 | 25.2 | -178.9 | -112.9 | -75.9 | 0 | 0 | 0 | 114.8 | ||
| 401 | L | 39.3 | Very low | 36.1 | Very low | 174 Ų | 174 | 157 Ų | 157 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -147.3 | 42.3 | 175.8 | -145.9 | 71.9 | 0 | 0 | 0 | 114.8 | ||
| 402 | R | 34.2 | Very low | 35.9 | Very low | 227 Ų | 227 | 157 Ų | 157 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | -135.3 | 29.8 | -180 | -144.4 | 179.3 | -170.3 | -175.2 | 3.7 | 115.9 | ||||
| 403 | R | 33.3 | Very low | 36.1 | Very low | 247 Ų | 247 | 165.6 Ų | 165.6 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -141.4 | 67.8 | 176.1 | -72.6 | -165.7 | 177.8 | -156.4 | 0.8 | 114.3 | ||||
| 404 | S | 34.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 163.4 Ų | 163.4 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -169.4 | 71.4 | 165.5 | 42.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 405 | N | 32.6 | Very low | 36.1 | Very low | 175 Ų | 175 | 164.9 Ų | 164.9 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -174.4 | 69 | 160.3 | -98.5 | -29.1 | 0 | 0 | 0 | 111.7 | ||
| 406 | S | 36.1 | Very low | 36 | Very low | 111 Ų | 111 | 166 Ų | 166 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -163.9 | 158.5 | 161.9 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 407 | L | 40.4 | Very low | 35.9 | Very low | 168 Ų | 168 | 163.9 Ų | 163.9 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | 84 | 92.4 | 179.5 | -55.1 | 177.3 | 0 | 0 | 0 | 117 | ||||
| 408 | W | 28.9 | Very low | 36.1 | Very low | 220 Ų | 220 | 162.6 Ų | 162.6 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | trans | -81.8 | 170.2 | 147.6 | -95.6 | -65.1 | 0 | 0 | 0 | 110.7 | ||||
| 409 | S | 32.8 | Very low | 36 | Very low | 110 Ų | 110 | 162.9 Ų | 162.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | 75.3 | 99.2 | 163.8 | -52.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 410 | S | 37.3 | Very low | 36.3 | Very low | 129 Ų | 129 | 161.9 Ų | 161.9 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | -174 | 151.5 | 121.2 | -80.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 411 | T | 33.1 | Very low | 36.1 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -88.5 | 157.1 | -176.6 | 47.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 412 | L | 31.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 59.7 | 103.5 | 155.3 | -71.9 | 159.9 | 0 | 0 | 0 | 116.4 | ||||
| 413 | R | 37.2 | Very low | 36.4 | Very low | 248 Ų | 248 | 151.5 Ų | 151.5 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | -161.8 | 179.6 | 76.2 | -99.7 | 176.8 | 174.6 | 152.2 | -0.2 | 113.4 | |||||
| 414 | K | 35.3 | Very low | 36.6 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -101.9 | -173.9 | -177.9 | -154.3 | -178.2 | 162 | -118.8 | 0 | 110.5 | ||||
| 415 | E | 43.5 | Very low | 36.5 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 65% | 0.654 | 81% | 0.806 | S | S | * | * | trans | 70.5 | 139.3 | 178.7 | -35.2 | -56.8 | 91.5 | 0 | 0 | 114.5 | ||||
| 416 | E | 38.9 | Very low | 36.6 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | cis | -163.8 | 153.6 | -26.7 | -144.7 | -156.2 | 143.8 | 0 | 0 | 109.4 | ||||
| 417 | L | 35.8 | Very low | 36.8 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 62.3 | 156.2 | 164.5 | -54.7 | 157.7 | 0 | 0 | 0 | 117 | ||||
| 418 | V | 39.6 | Very low | 36.6 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -156.3 | 146.4 | -24.1 | 123.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 419 | E | 36 | Very low | 36.9 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -84.7 | 154.5 | 171.8 | -72.1 | -168.5 | 136 | 0 | 0 | 112.5 | ||||
| 420 | P | 40.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | -139.3 | 155 | 118 | 37.4 | -26.7 | 0 | 0 | 0 | 115 | |||||
| 421 | S | 36.8 | Very low | 37.4 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 149.6 | -177.1 | -37 | 0 | 0 | 0 | 0 | 114.1 | ||
| 422 | P | 40.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 135.2 | 166.9 | 34.5 | -30.4 | 0 | 0 | 0 | 112.5 | ||
| 423 | V | 39.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 152 | 171.4 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 424 | I | 37.7 | Very low | 38.5 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 145 | -174.7 | -66.5 | 176.6 | 0 | 0 | 0 | 112.4 | ||
| 425 | R | 32.9 | Very low | 38.6 | Very low | 236 Ų | 236 | 131.5 Ų | 131.5 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -105.2 | 124.3 | -176.4 | -174.1 | -168.7 | -60.1 | -163 | 1.1 | 112.8 | ||||
| 426 | G | 35 | Very low | 38.4 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -115.2 | 162.1 | 138 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 427 | S | 39.7 | Very low | 38.3 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | -161.3 | 135.8 | 2.1 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 428 | E | 35.4 | Very low | 38.7 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | 59.7 | 135.9 | 151.8 | -8.3 | -159.4 | 134.2 | 0 | 0 | 123.4 | ||||
| 429 | A | 36.2 | Very low | 38.4 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 80.6 | 148.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 430 | S | 41.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 77.6 | 93.9 | 156.6 | -50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 431 | S | 38.8 | Very low | 38 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -80.1 | -176.6 | 151.5 | -20.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 432 | P | 52.4 | Low | 37.9 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -133.5 | -162.1 | -18.4 | 29.9 | -6.3 | 0 | 0 | 0 | 112.8 | ||||
| 433 | D | 34.6 | Very low | 37.6 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 118.9 | 149.7 | 121.3 | -121.2 | -27.7 | 0 | 0 | 0 | 121.6 | |||||
| 434 | V | 38.9 | Very low | 37.7 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 98.8 | 162.9 | -174.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 435 | A | 36.7 | Very low | 37.2 | Very low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 50.2 | 166.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 436 | S | 40.2 | Very low | 37.1 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -164.3 | 169.8 | 5.7 | -153.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 437 | N | 36.9 | Very low | 36.9 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 66 | 155.4 | 158.6 | -65.9 | -41.1 | 0 | 0 | 0 | 117.6 | ||||
| 438 | Q | 43.4 | Very low | 36.4 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | cis | -150.7 | 131.9 | -8.1 | -112.5 | 155.5 | 41.3 | 0 | 0 | 106.5 | ||||
| 439 | A | 33.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | 81.1 | 128.3 | 80.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 440 | G | 35.8 | Very low | 35.8 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 136.4 | 98.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 441 | Q | 33 | Very low | 35.5 | Very low | 180 Ų | 180 | 120 Ų | 120 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | 64.4 | 129.2 | 80.7 | -66.8 | -168.2 | 9.9 | 0 | 0 | 113.1 | |||||
| 442 | L | 34.5 | Very low | 35.1 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | cis | -156.4 | 150.7 | 4.4 | -107.8 | 158.4 | 0 | 0 | 0 | 110.7 | ||||
| 443 | S | 34.6 | Very low | 34.6 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -82.7 | 169.9 | 158.3 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 444 | P | 40 | Very low | 34.4 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -153.5 | -173.9 | 28.6 | 46.3 | -25 | 0 | 0 | 0 | 118.7 | ||||
| 445 | S | 28.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 52.7 | 142.9 | 139.8 | -65.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 446 | A | 30.3 | Very low | 34 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | 89.6 | 148.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 447 | D | 30.4 | Very low | 33.7 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | 49.4 | 130.1 | 160.8 | -45.8 | -31 | 0 | 0 | 0 | 117.8 | ||||
| 448 | G | 30 | Very low | 33.5 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | 126.9 | 147.9 | 22.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 449 | C | 28.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 65.4 | 159.8 | 175.4 | -65.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 450 | D | 29.6 | Very low | 33 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | -153.3 | 173.9 | -12.8 | -121.6 | -40.1 | 0 | 0 | 0 | 110.7 | ||||
| 451 | E | 35.9 | Very low | 32.8 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 45.9 | 116.9 | 157.5 | -65.8 | -165.3 | 126.1 | 0 | 0 | 120.1 | ||||
| 452 | A | 30.3 | Very low | 32.9 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | 74.6 | 140.1 | 95 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 453 | L | 40.6 | Very low | 32.8 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | cis | -135.4 | 158.9 | 43.7 | -74.2 | 160.8 | 0 | 0 | 0 | 114.7 | ||||
| 454 | D | 30.7 | Very low | 32.8 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -86.2 | 154.1 | 175.8 | 179.1 | 20.2 | 0 | 0 | 0 | 111.9 | S456 | D454-S456 PolarHBondContact OD1-N 2.7Š| ||
| 455 | L | 37.6 | Very low | 32.4 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -167.4 | 67 | 148.7 | -107.7 | 160.9 | 0 | 0 | 0 | 112.8 | ||||
| 456 | S | 30.4 | Very low | 32.4 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | trans | 1.7 | 120.7 | 149.7 | 65.2 | 0 | 0 | 0 | 0 | 120.4 | D454 | D454-S456 PolarHBondContact OD1-N 2.7Š| ||
| 457 | V | 34.3 | Very low | 32.5 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | -141.9 | 110.1 | 127.5 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 458 | G | 32.3 | Very low | 32.9 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -167.3 | 79.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | K460 | G458-K460 PolarHBondContact O-N 3.31Š| ||
| 459 | Y | 33.7 | Very low | 33.5 | Very low | 228 Ų | 228 | 149.4 Ų | 149.4 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 117.2 | -176.2 | -86.4 | -87.5 | 0 | 0 | 0 | 112.3 | L461 | Y459-L461 PolarHBondContact O-N 3.2Š|
| 460 | K | 30.7 | Very low | 34.2 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74 | 116.4 | 172.5 | -62.9 | 174.6 | -178.8 | 174.2 | 0 | 109.9 | G458 | G458-K460 PolarHBondContact O-N 3.31Š|
| 461 | L | 32.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 149 Ų | 149 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 126.8 | 161 | -132.9 | 72.6 | 0 | 0 | 0 | 109.5 | Y459 | Y459-L461 PolarHBondContact O-N 3.2Š|
| 462 | K | 36.3 | Very low | 35.3 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -78 | 154 | 179.3 | -69.1 | 177.1 | 178.1 | 174.5 | 0 | 110.5 | A464 | K462-A464 PolarHBondContact O-N 3.26Š|
| 463 | K | 32.2 | Very low | 36.4 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 128.5 | 153 | -78 | -175.4 | 172.3 | -175.3 | 0 | 108.8 | ||
| 464 | A | 33.6 | Very low | 36.6 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | trans | -141.4 | 124.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | K462 C466 | K462-A464 PolarHBondContact O-N 3.26Å; A464-C466 PolarHBondContact O-N 3.4Å | ||
| 465 | N | 31.9 | Very low | 37.3 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | -78.2 | 109.7 | 166.7 | -64.3 | -2 | 0 | 0 | 0 | 107.1 | ||||
| 466 | C | 28.2 | Very low | 37.9 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | trans | -163.5 | 51.6 | 176 | -99.3 | 0 | 0 | 0 | 0 | 112.1 | A464 | A464-C466 PolarHBondContact O-N 3.4Š| ||
| 467 | L | 33.4 | Very low | 38.6 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | trans | -142.3 | 54.4 | 167.2 | -76.8 | -177.1 | 0 | 0 | 0 | 111.1 | ||||
| 468 | Y | 38 | Very low | 39.2 | Very low | 216 Ų | 216 | 141.8 Ų | 141.8 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -120.9 | -11 | 163.5 | -165.3 | -104.1 | 0 | 0 | 0 | 112.1 | ||
| 469 | E | 42.9 | Very low | 40.1 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -94.2 | -13.8 | -177.1 | -66.2 | 164.7 | 125.6 | 0 | 0 | 113.1 | Y471 | E469-Y471 VanDerWaalsContact C-N 3.34Å; E469-Y471 PolarHBondContact O-N 3.29Å |
| 470 | S | 43.3 | Very low | 40.9 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -4.9 | -176.6 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 471 | Y | 41.4 | Very low | 41.9 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 67% | 0.667 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -36.9 | 176.5 | -161.3 | -100.8 | 0 | 0 | 0 | 112.2 | E469 A474 Q475 | E469-Y471 VanDerWaalsContact C-N 3.34Å; E469-Y471 PolarHBondContact O-N 3.29Å; Y471-A474 PolarHBondContact O-N 2.92Å; Y471-Q475 PolarHBondContact O-N 3.22Å |
| 472 | A | 48.4 | Very low | 42.6 | Very low | 55 Ų | 55 | 129.5 Ų | 129.5 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -62.6 | -50 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A474 Q475 D476 | A472-A474 PolarHBondContact O-N 2.66Å; A472-A474 VanDerWaalsContact O-N 3.12Å; A472-Q475 PolarHBondContact O-N 3.26Å; A472-D476 PolarHBondContact O-N 2.84Å; A472-D476 VanDerWaalsContact O-N 3.16Å |
| 473 | V | 52.1 | Low | 42.6 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.8 | -25.8 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | Y477 | V473-Y477 WeakPolarHBondContact O-CB 3.24Å; V473-Y477 PolarHBondContact O-N 2.66Å |
| 474 | A | 45.2 | Very low | 42.8 | Very low | 58 Ų | 58 | 118.8 Ų | 118.8 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.2 | -29.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y471 A472 W478 | Y471-A474 PolarHBondContact O-N 2.92Å; A472-A474 PolarHBondContact O-N 2.66Å; A472-A474 VanDerWaalsContact O-N 3.12Å; A474-W478 PolarHBondContact O-N 3.08Å |
| 475 | Q | 46.1 | Very low | 43.1 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.1 | -43 | 173.8 | -68.4 | -173.6 | -49.3 | 0 | 0 | 111.2 | Y471 A472 Y477 W478 A479 | Y471-Q475 PolarHBondContact O-N 3.22Å; A472-Q475 PolarHBondContact O-N 3.26Å; Q475-Y477 VanDerWaalsContact C-N 3.3Å; Q475-Y477 PolarHBondContact O-N 2.91Å; Q475-W478 PolarHBondContact O-N 2.89Å; Q475-W478 VanDerWaalsContact O-N 3.1Å; Q475-A479 PolarHBondContact O-N 3.5Å |
| 476 | D | 49.5 | Very low | 43.4 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.3 | -40.1 | 175.9 | -68.3 | -27.8 | 0 | 0 | 0 | 111.9 | A472 W478 A479 A480 | A472-D476 PolarHBondContact O-N 2.84Å; A472-D476 VanDerWaalsContact O-N 3.16Å; D476-W478 VanDerWaalsContact C-N 3.28Å; D476-W478 PolarHBondContact O-N 2.65Å; D476-A479 PolarHBondContact O-N 2.8Å; D476-A480 VanDerWaalsContact O-CB 3.27Å; D476-A480 WeakPolarHBondContact O-CB 3.1Å; D476-A480 PolarHBondContact O-N 3.47Å |
| 477 | Y | 45.7 | Very low | 44 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 64% | 0.635 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.5 | -25.5 | 178.3 | -153.3 | -94 | 0 | 0 | 0 | 113.3 | V473 Q475 | V473-Y477 WeakPolarHBondContact O-CB 3.24Å; V473-Y477 PolarHBondContact O-N 2.66Å; Q475-Y477 VanDerWaalsContact C-N 3.3Å; Q475-Y477 PolarHBondContact O-N 2.91Å |
| 478 | W | 46.6 | Very low | 44.2 | Very low | 196 Ų | 196 | 125.7 Ų | 125.7 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -85.1 | -31.9 | 176.9 | -151.1 | 65.1 | 0 | 0 | 0 | 112.4 | A474 Q475 D476 A480 N482 | A474-W478 PolarHBondContact O-N 3.08Å; Q475-W478 PolarHBondContact O-N 2.89Å; Q475-W478 VanDerWaalsContact O-N 3.1Å; D476-W478 VanDerWaalsContact C-N 3.28Å; D476-W478 PolarHBondContact O-N 2.65Å; W478-A480 VanDerWaalsContact C-N 3.35Å; W478-N482 PolarHBondContact O-ND2 3.43Å |
| 479 | A | 50 | Low | 44.2 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.6 | -36.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q475 D476 Q481 | Q475-A479 PolarHBondContact O-N 3.5Å; D476-A479 PolarHBondContact O-N 2.8Å; A479-Q481 VanDerWaalsContact C-N 3.35Å; A479-Q481 PolarHBondContact O-N 2.97Å |
| 480 | A | 52.3 | Low | 44.1 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -14.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D476 W478 | D476-A480 VanDerWaalsContact O-CB 3.27Å; D476-A480 WeakPolarHBondContact O-CB 3.1Å; D476-A480 PolarHBondContact O-N 3.47Å; W478-A480 VanDerWaalsContact C-N 3.35Å |
| 481 | Q | 51.2 | Low | 44.1 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -5.4 | 179.2 | -73.3 | -161.2 | -13.1 | 0 | 0 | 114.9 | A479 | A479-Q481 VanDerWaalsContact C-N 3.35Å; A479-Q481 PolarHBondContact O-N 2.97Å |
| 482 | N | 46 | Very low | 44.2 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -113.1 | 28.9 | -178.3 | -66.6 | -67.5 | 0 | 0 | 0 | 112.8 | W478 | W478-N482 PolarHBondContact O-ND2 3.43Š|
| 483 | G | 37.2 | Very low | 43.7 | Very low | 48 Ų | 48 | 133.1 Ų | 133.1 | 50% | 0.495 | 69% | 0.694 | S | S | . | * | trans | -143.2 | 129.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 484 | N | 36.6 | Very low | 43.2 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | trans | 76.8 | 90.9 | -174.6 | -48.9 | -90.6 | 0 | 0 | 0 | 115.6 | K486 | N484-K486 VanDerWaalsContact OD1-CE 3.24Å; N484-K486 WeakPolarHBondContact OD1-CE 3.27Å | ||
| 485 | D | 39.2 | Very low | 43.2 | Very low | 177 Ų | 177 | 142 Ų | 142 | 95% | 0.947 | 72% | 0.719 | S | S | * | * | -111.9 | 153.2 | 115.7 | -86.6 | -51.8 | 0 | 0 | 0 | 107.6 | |||||
| 486 | K | 37.3 | Very low | 43 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 70% | 0.7 | 73% | 0.732 | S | S | * | * | trans | -136.2 | 123.5 | -170 | -70.4 | -178 | 179.7 | -177.8 | 0 | 112.4 | N484 | N484-K486 VanDerWaalsContact OD1-CE 3.24Å; N484-K486 WeakPolarHBondContact OD1-CE 3.27Å | ||
| 487 | E | 41.1 | Very low | 42.6 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | -158.9 | 104.6 | 153.9 | -102.6 | 153.9 | -157.1 | 0 | 0 | 104.1 | ||||
| 488 | V | 39.2 | Very low | 42.4 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | 88.8 | 142.7 | 58.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 489 | D | 36.9 | Very low | 42.2 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 70.5 | 134.3 | -171.5 | -46.8 | -25 | 0 | 0 | 0 | 115.2 | ||||
| 490 | D | 40.3 | Very low | 41.7 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | cis | -163 | 170.1 | -24.4 | -129.2 | -22.3 | 0 | 0 | 0 | 111.4 | ||||
| 491 | E | 43.7 | Very low | 41 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | 66.4 | 127.1 | 159.3 | -68.4 | 177.6 | 164.7 | 0 | 0 | 123.2 | ||||
| 492 | E | 43.2 | Very low | 40.6 | Very low | 184 Ų | 184 | 153.6 Ų | 153.6 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 144.3 | 149.8 | -60.3 | -176.1 | 158.6 | 0 | 0 | 120.9 | ||||
| 493 | E | 39.6 | Very low | 39.9 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | cis | -142.6 | 143.9 | 5.2 | -163.3 | 177.6 | -173.7 | 0 | 0 | 110.8 | ||||
| 494 | E | 40.1 | Very low | 40 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -118.2 | 112.5 | 179.3 | 178 | -172.5 | -155.6 | 0 | 0 | 110.8 | ||||
| 495 | E | 45.7 | Very low | 40 | Very low | 169 Ų | 169 | 160.4 Ų | 160.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -154.4 | 156.7 | 162.3 | -131.9 | -167.5 | -139 | 0 | 0 | 115 | ||||
| 496 | R | 42.5 | Very low | 39.9 | Very low | 217 Ų | 217 | 158.2 Ų | 158.2 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | 72.8 | 63.1 | 170 | -149.7 | 175.6 | -55.1 | 151.8 | 15.4 | 118.4 | ||||
| 497 | M | 40 | Very low | 39.9 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | -56.9 | 157.8 | 137.3 | -64.3 | 173.7 | -84.7 | 0 | 0 | 111.2 | ||||
| 498 | N | 42.1 | Very low | 39.6 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 142.1 | 128.7 | 137.4 | -69.7 | -15.2 | 0 | 0 | 0 | 114.3 | ||||
| 499 | E | 42.5 | Very low | 39.7 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 65.7 | 151.9 | 157.4 | -61.7 | 172.3 | 147.5 | 0 | 0 | 117.2 | ||||
| 500 | E | 38.7 | Very low | 39.6 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -137.8 | 165.9 | 7.8 | -155.4 | -177.9 | 170.6 | 0 | 0 | 111.7 | ||||
| 501 | V | 38 | Very low | 39.5 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -123.4 | 120.7 | -176.4 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 502 | V | 41.9 | Very low | 39 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -141.7 | 125.4 | 162.7 | -176.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 503 | S | 33.1 | Very low | 38.7 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -95.5 | 154.4 | 171.7 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 504 | I | 37.9 | Very low | 38.3 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -154.7 | 150.3 | 155.7 | -102.7 | 142.8 | 0 | 0 | 0 | 110.3 | ||||
| 505 | E | 38.1 | Very low | 38.2 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -93.1 | 160.2 | -170.1 | -64.3 | 179.6 | 131.3 | 0 | 0 | 113.4 | ||||
| 506 | P | 36.1 | Very low | 37.5 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 142.7 | 175.8 | 32.3 | -35.1 | 0 | 0 | 0 | 112.4 | ||||
| 507 | I | 37.9 | Very low | 37.2 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -129.1 | 131.2 | 175 | -38.4 | 177.7 | 0 | 0 | 0 | 109.6 | ||||
| 508 | S | 34.3 | Very low | 37.4 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -86.9 | 134.1 | 172.5 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 509 | E | 40.3 | Very low | 37.1 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -152.9 | 144.1 | 157.2 | -126.6 | 166.1 | -124 | 0 | 0 | 112.9 | ||||
| 510 | S | 35.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -114.6 | 127.3 | -177.4 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 511 | S | 39 | Very low | 37.4 | Very low | 130 Ų | 130 | 137 Ų | 137 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -155 | 143.9 | 165.6 | -85.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 512 | A | 31.9 | Very low | 37.7 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -98.5 | 142.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 513 | L | 36.7 | Very low | 38 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -138.5 | 125 | 158.3 | -76.7 | -179.5 | 0 | 0 | 0 | 109.8 | ||||
| 514 | S | 30.9 | Very low | 38.5 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -98.8 | 139.1 | 163.7 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 515 | L | 39.2 | Very low | 38.5 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -135.2 | 133.4 | 175.9 | -73.4 | 174.1 | 0 | 0 | 0 | 109.9 | ||||
| 516 | S | 30.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -137.7 | 167.1 | -178.2 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 517 | A | 37.4 | Very low | 38.2 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 73.4 | 140.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 518 | K | 42.6 | Very low | 38.4 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | cis | -146.7 | 143.6 | 43.3 | -73.9 | 159.2 | -173.8 | 168.8 | 0 | 113.6 | ||||
| 519 | N | 37.3 | Very low | 38.8 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | 57.8 | 159.6 | 126.2 | -45 | 5 | 0 | 0 | 0 | 118.4 | |||||
| 520 | E | 43 | Very low | 38.7 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | cis | -137.1 | -162.1 | 28.5 | -70 | 175.5 | 152 | 0 | 0 | 114.1 | ||||
| 521 | S | 43.2 | Very low | 38.9 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 177.3 | -164.1 | 46.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 522 | E | 45.7 | Very low | 38.6 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | cis | -145.7 | 138 | 30.6 | -64.2 | 168.2 | 152.2 | 0 | 0 | 110.9 | ||||
| 523 | E | 47.4 | Very low | 38.8 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | 60.2 | 131.1 | 94.8 | -55.5 | -174.3 | -167.5 | 0 | 0 | 115.2 | |||||
| 524 | E | 42.9 | Very low | 38.7 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | cis | -140.9 | -177.2 | 13.8 | -85.9 | -156.3 | 88.8 | 0 | 0 | 112.4 | ||||
| 525 | A | 38.3 | Very low | 39.1 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | -179.7 | 4.3 | -42 | 0 | 0 | 0 | 0 | 0 | 117 | T527 | A525-T527 VanDerWaalsContact O-CG2 3.31Å; A525-T527 WeakPolarHBondContact O-CG2 3.48Å | ||
| 526 | C | 34.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -117.6 | 92.8 | -168.1 | -168.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 527 | T | 34.1 | Very low | 39.4 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 80.4 | 142.5 | 70.5 | 62.8 | 0 | 0 | 0 | 0 | 118 | A525 | A525-T527 VanDerWaalsContact O-CG2 3.31Å; A525-T527 WeakPolarHBondContact O-CG2 3.48Å | |||
| 528 | T | 40.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 88.6 | 139.3 | 167.5 | 70.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 529 | E | 43.5 | Very low | 39.3 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | cis | -178.6 | 149.5 | -36 | -111.9 | -48.8 | 148.9 | 0 | 0 | 107.9 | ||||
| 530 | G | 37.6 | Very low | 39.5 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | trans | 65.9 | 161.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 531 | E | 39.8 | Very low | 39.1 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -153.8 | 130.4 | -15.4 | -101 | -166.6 | 72.4 | 0 | 0 | 107.8 | ||||
| 532 | L | 34.1 | Very low | 39 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | 71 | 143.3 | 95.7 | -63.3 | -177.4 | 0 | 0 | 0 | 117.9 | |||||
| 533 | G | 35.1 | Very low | 38.6 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | 99 | 109.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 534 | S | 34.3 | Very low | 38.4 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | 72.2 | 134.3 | 44.9 | 106.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 535 | E | 39 | Very low | 38.5 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | cis | -150.2 | -174.1 | 11.1 | -116.8 | 143.2 | 123.2 | 0 | 0 | 112.8 | ||||
| 536 | Q | 34.4 | Very low | 38.7 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -97.8 | -161.8 | -176.6 | -31.9 | 170.7 | -67.3 | 0 | 0 | 111.7 | ||||
| 537 | P | 42.4 | Very low | 38.6 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -132.4 | -162.2 | -30.2 | 27.7 | -4 | 0 | 0 | 0 | 113.1 | ||||
| 538 | M | 39.2 | Very low | 38.8 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | 93 | 129.1 | 159.3 | -51.2 | -63.4 | -85.3 | 0 | 0 | 118.8 | ||||
| 539 | G | 37.8 | Very low | 38.5 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -100.7 | -142.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 540 | P | 42.5 | Very low | 38 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -138.1 | -164.5 | 13.8 | 33 | -8.3 | 0 | 0 | 0 | 115.1 | ||||
| 541 | L | 35 | Very low | 38.2 | Very low | 155 Ų | 155 | 142 Ų | 142 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | 73.8 | 97.7 | 162.4 | -53.3 | 173.9 | 0 | 0 | 0 | 119.1 | ||||
| 542 | K | 40.6 | Very low | 38.3 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | -173.1 | 161.9 | 99.1 | -98.5 | 165.5 | -175.5 | 177.2 | 0 | 112.2 | |||||
| 543 | S | 37.5 | Very low | 38.3 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -102.5 | 138.3 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 544 | D | 43.7 | Very low | 38.8 | Very low | 174 Ų | 174 | 141 Ų | 141 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -152.1 | 163.4 | 150.6 | -85 | -49.2 | 0 | 0 | 0 | 108.4 | ||||
| 545 | A | 43.7 | Very low | 39 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -149.7 | -168.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 546 | P | 42.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | -130.4 | -152.8 | -12.9 | 42 | -23.3 | 0 | 0 | 0 | 111.9 | ||||
| 547 | D | 33.4 | Very low | 39.4 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 144.4 | 173.5 | -50.2 | -92.7 | 0 | 0 | 0 | 114.7 | L549 | D547-L549 PolarHBondContact O-N 3.5Š| ||
| 548 | F | 37.7 | Very low | 39.4 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -86.9 | 95.7 | 171.9 | -93.6 | -91.9 | 0 | 0 | 0 | 112.3 | ||||
| 549 | L | 34.3 | Very low | 39.2 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -113.3 | 144.8 | 152.3 | -83.9 | 177.9 | 0 | 0 | 0 | 110 | D547 | D547-L549 PolarHBondContact O-N 3.5Š| ||
| 550 | A | 34.3 | Very low | 39.4 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 68.8 | 127.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 551 | E | 41.1 | Very low | 39.1 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | -158.4 | 171.2 | 114.1 | -112.6 | -170.3 | 149 | 0 | 0 | 111.6 | |||||
| 552 | S | 42.1 | Very low | 39.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 80.1 | 27.6 | -178.2 | 77.8 | 0 | 0 | 0 | 0 | 119.3 | V554 | S552-V554 PolarHBondContact O-N 2.95Š| ||
| 553 | L | 34.5 | Very low | 39.5 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -69.2 | 83.8 | 147.8 | 178.3 | 61.4 | 0 | 0 | 0 | 108.6 | M555 | L553-M555 HydrophobicContact CG-CG 4.42Å; L553-M555 PolarHBondContact O-N 3.35Å | ||
| 554 | V | 45 | Very low | 39.5 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 95.2 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | S552 C556 | S552-V554 PolarHBondContact O-N 2.95Å; V554-C556 PolarHBondContact O-N 2.93Å; V554-C556 VanDerWaalsContact O-N 3.14Å | ||
| 555 | M | 38.6 | Very low | 39.6 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 104.1 | 172.6 | -67.6 | -176.8 | 63.9 | 0 | 0 | 110.2 | L553 S557 | L553-M555 HydrophobicContact CG-CG 4.42Å; L553-M555 PolarHBondContact O-N 3.35Å; M555-S557 PolarHBondContact O-N 3.2Å | ||
| 556 | C | 40.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -74 | 63.7 | 168.4 | -67.3 | 0 | 0 | 0 | 0 | 111 | V554 G558 | V554-C556 PolarHBondContact O-N 2.93Å; V554-C556 VanDerWaalsContact O-N 3.14Å; C556-G558 PolarHBondContact O-N 3.06Å | ||
| 557 | S | 41.1 | Very low | 39.1 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -92.9 | 74.1 | 175 | -67 | 0 | 0 | 0 | 0 | 110.3 | M555 | M555-S557 PolarHBondContact O-N 3.2Š| ||
| 558 | G | 41.7 | Very low | 40.1 | Very low | 65 Ų | 65 | 124.4 Ų | 124.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -178.1 | 130.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C556 S560 | C556-G558 PolarHBondContact O-N 3.06Å; G558-S560 PolarHBondContact O-N 2.95Å |
| 559 | G | 36.2 | Very low | 41 | Very low | 85 Ų | 85 | 121 Ų | 121 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | trans | -77.3 | 111 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 560 | S | 40.9 | Very low | 42.1 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -152.3 | 143.1 | 166.2 | -78 | 0 | 0 | 0 | 0 | 109.7 | G558 C562 | G558-S560 PolarHBondContact O-N 2.95Å; S560-C562 PolarHBondContact O-N 3.39Å | ||
| 561 | T | 37 | Very low | 44.1 | Very low | 142 Ų | 142 | 122 Ų | 122 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | -76.7 | 107.4 | -171.1 | 37.7 | 0 | 0 | 0 | 0 | 111.6 | A563 | T561-A563 PolarHBondContact O-N 2.93Š| ||
| 562 | C | 37.6 | Very low | 46.1 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 89% | 0.885 | 71% | 0.713 | S | S | * | * | trans | -72 | 95 | 168.6 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | S560 | S560-C562 PolarHBondContact O-N 3.39Š| ||
| 563 | A | 45.1 | Very low | 48 | Very low | 91 Ų | 91 | 112.7 Ų | 112.7 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -59.8 | 148.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T561 | T561-A563 PolarHBondContact O-N 2.93Š| ||
| 564 | T | 38 | Very low | 50 | Low | 98 Ų | 98 | 106.7 Ų | 106.7 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | trans | -62.4 | 132 | -177 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | Q566 | T564-Q566 VanDerWaalsContact C-N 3.3Å; T564-Q566 PolarHBondContact O-N 3.18Å; T564-Q566 WeakPolarHBondContact OG1-CG 3.16Å | ||
| 565 | P | 46.9 | Very low | 51.7 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | trans | -71.5 | 88.2 | 160.6 | 30.6 | -32.5 | 0 | 0 | 0 | 109.1 | ||||
| 566 | Q | 37.6 | Very low | 53.7 | Low | 175 Ų | 175 | 106.2 Ų | 106.2 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -71.2 | 136.2 | 171.9 | -58.7 | -179.4 | 2 | 0 | 0 | 109.3 | T564 | T564-Q566 VanDerWaalsContact C-N 3.3Å; T564-Q566 PolarHBondContact O-N 3.18Å; T564-Q566 WeakPolarHBondContact OG1-CG 3.16Å | ||
| 567 | G | 38.2 | Very low | 55.9 | Low | 82 Ų | 82 | 101.1 Ų | 101.1 | 85% | 0.845 | 65% | 0.646 | S | S | * | * | trans | 120.6 | -15.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | E569 | G567-E569 PolarHBondContact O-N 2.9Š| ||
| 568 | V | 53.4 | Low | 58 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | trans | -87.2 | 107 | 169 | -86.1 | 0 | 0 | 0 | 0 | 110.7 | M570 | V568-M570 PolarHBondContact O-N 3.46Š| ||
| 569 | E | 55.9 | Low | 60 | Low | 134 Ų | 134 | 97.1 Ų | 97.1 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | trans | -76.7 | 91.3 | -179.3 | -158.2 | -172.1 | 147.7 | 0 | 0 | 110.4 | G567 R571 | G567-E569 PolarHBondContact O-N 2.9Å; E569-R571 HydrophobicContact CG-CG 4.16Å; E569-R571 PolarHBondContact O-N 2.89Å; E569-R571 IonicContact OE1-CZ 3.37Å; E569-R571 VanDerWaalsContact OE1-CZ 3.26Å; E569-R571 IonicContact OE1-NE 2.83Å; E569-R571 PolarHBondContact OE1-NE 2.85Å; E569-R571 IonicContact OE1-NH2 3.74Å; E569-R571 PolarHBondContact OE1-NH2 2.93Å; E569-R571 IonicContact OE2-CZ 2.65Å; E569-R571 IonicContact OE2-NE 2.73Å; E569-R571 IonicContact OE2-NH2 3.5Å; E569-R571 PolarHBondContact OE2-NH2 3.14Å | ||
| 570 | M | 58.6 | Low | 62.3 | Low | 137 Ų | 137 | 96 Ų | 96 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | trans | -69.7 | 71.2 | -178.5 | -62.1 | -65.2 | -72.6 | 0 | 0 | 112.1 | V568 R591 | V568-M570 PolarHBondContact O-N 3.46Å; M570-R591 WeakPolarHBondContact O-CB 3.49Å; M570-R591 WeakPolarHBondContact O-CG 3.41Å | ||
| 571 | R | 75.9 | Confident | 64.3 | Low | 139 Ų | 139 | 91.7 Ų | 91.7 | 53% | 0.525 | 56% | 0.556 | S | S | . | * | trans | -70.2 | 169.2 | 175 | -68 | -175 | -179.3 | 163.3 | 8.4 | 111.8 | E569 | E569-R571 HydrophobicContact CG-CG 4.16Å; E569-R571 PolarHBondContact O-N 2.89Å; E569-R571 IonicContact OE1-CZ 3.37Å; E569-R571 VanDerWaalsContact OE1-CZ 3.26Å; E569-R571 IonicContact OE1-NE 2.83Å; E569-R571 PolarHBondContact OE1-NE 2.85Å; E569-R571 IonicContact OE1-NH2 3.74Å; E569-R571 PolarHBondContact OE1-NH2 2.93Å; E569-R571 IonicContact OE2-CZ 2.65Å; E569-R571 IonicContact OE2-NE 2.73Å; E569-R571 IonicContact OE2-NH2 3.5Å; E569-R571 PolarHBondContact OE2-NH2 3.14Å | ||
| 572 | C | 82.5 | Confident | 66.9 | Low | 9 Ų | 9 | 87.1 Ų | 87.1 | 6% | 0.061 | 52% | 0.524 | C | S | . | . | trans | -71 | 143.3 | 179.7 | 109 | 0 | 0 | 0 | 0 | 111.8 | T574 C577 H590 C596 | C572-T574 PolarHBondContact O-N 3.37Å; C572-T574 VanDerWaalsContact SG-CB 3.55Å; C572-T574 PolarHBondContact SG-N 3.26Å; C572-T574 PolarHBondContact SG-OG1 2.93Å; C572-C577 HydrophobicContact CB-CB 4.35Å; C572-C577 WeakPolarHBondContact CB-SG 3.45Å; C572-C577 WeakPolarHBondContact SG-CB 3.32Å; C572-C577 CovalentContact SG-SG 2.05Å; C572-C577 PolarHBondContact SG-SG 3.36Å; C572-H590 WeakPolarHBondContact CB-CD2 3.46Å; C572-H590 WeakPolarHBondContact CB-NE2 3.48Å; C572-H590 PolarHBondContact SG-NE2 3.36Å; C572-C596 PolarHBondContact SG-SG 3.22Å | ||
| 573 | P | 82.9 | Confident | 69.1 | Low | 92 Ų | 92 | 84.2 Ų | 84.2 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -73.9 | 16.8 | -177.9 | -17.5 | 32 | 0 | 0 | 0 | 115.9 | L593 | P573-L593 HydrophobicContact CB-CD2 3.95Å; P573-L593 HydrophobicContact CB-CG 4.18Å; P573-L593 HydrophobicContact CG-CD2 4.4Å; P573-L593 HydrophobicContact CG-CG 4.26Å |
| 574 | T | 76.2 | Confident | 70.9 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -92.8 | 128.6 | 178 | -50.7 | 0 | 0 | 0 | 0 | 109.1 | C572 G576 C577 L593 | C572-T574 PolarHBondContact O-N 3.37Å; C572-T574 VanDerWaalsContact SG-CB 3.55Å; C572-T574 PolarHBondContact SG-N 3.26Å; C572-T574 PolarHBondContact SG-OG1 2.93Å; T574-G576 PolarHBondContact O-N 2.75Å; T574-C577 WeakPolarHBondContact O-CB 3.21Å; T574-C577 PolarHBondContact O-N 3.28Å; T574-L593 WeakPolarHBondContact OG1-CD2 3.36Å |
| 575 | E | 80 | Confident | 73.1 | Confident | 188 Ų | 188 | 81.7 Ų | 81.7 | 88% | 0.879 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 136 | 176.9 | -70.9 | -60.5 | 157.9 | 0 | 0 | 112.1 | C577 | E575-C577 PolarHBondContact O-N 3.11Š|
| 576 | G | 81 | Confident | 75 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | T574 R598 | T574-G576 PolarHBondContact O-N 2.75Å; G576-R598 PolarHBondContact O-NH1 3.25Å; G576-R598 VanDerWaalsContact O-NH1 3.09Å; G576-R598 PolarHBondContact O-NH2 2.83Å |
| 577 | C | 86.7 | Confident | 77.2 | Confident | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.095 | 47% | 0.473 | C | S | . | . | trans | -80.2 | 131.1 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | C572 T574 E575 H590 | C572-C577 HydrophobicContact CB-CB 4.35Å; C572-C577 WeakPolarHBondContact CB-SG 3.45Å; C572-C577 WeakPolarHBondContact SG-CB 3.32Å; C572-C577 CovalentContact SG-SG 2.05Å; C572-C577 PolarHBondContact SG-SG 3.36Å; T574-C577 WeakPolarHBondContact O-CB 3.21Å; T574-C577 PolarHBondContact O-N 3.28Å; E575-C577 PolarHBondContact O-N 3.11Å; C577-H590 PolarHBondContact SG-NE2 3Å | ||
| 578 | D | 85.7 | Confident | 79.5 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 40% | 0.401 | 47% | 0.471 | S | S | . | . | trans | -94.3 | -1.3 | 178.7 | 58.5 | -55.4 | 0 | 0 | 0 | 113.4 | S580 R598 | D578-S580 PolarHBondContact O-N 3.41Å; D578-S580 WeakPolarHBondContact OD2-CB 3.46Å; D578-S580 PolarHBondContact OD2-OG 3.09Å; D578-R598 IonicContact OD1-CZ 3.64Å; D578-R598 IonicContact OD1-NH1 2.76Å; D578-R598 PolarHBondContact OD1-NH1 3.32Å | ||
| 579 | G | 83.1 | Confident | 81.2 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 8% | 0.082 | 46% | 0.46 | C | S | . | . | trans | 76 | -3.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S589 H590 | G579-S589 CarbonylContact O-C 3.56Å; G579-S589 WeakPolarHBondContact O-CA 3.42Å; G579-S589 WeakPolarHBondContact O-CB 3.3Å; G579-H590 VanDerWaalsContact C-CE1 3.4Å; G579-H590 PolarHBondContact O-N 3.29Å; G579-H590 PolarHBondContact O-ND1 3.06Å; G579-H590 VanDerWaalsContact O-ND1 3.16Å | ||
| 580 | S | 85.6 | Confident | 82.9 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 43% | 0.427 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 152.3 | 178.8 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | D578 H590 | D578-S580 PolarHBondContact O-N 3.41Å; D578-S580 WeakPolarHBondContact OD2-CB 3.46Å; D578-S580 PolarHBondContact OD2-OG 3.09Å; S580-H590 PolarHBondContact O-CE1 2.82Å; S580-H590 PolarHBondContact O-ND1 3.11Å; S580-H590 VanDerWaalsContact O-ND1 3.17Å |
| 581 | G | 83.3 | Confident | 84.3 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 64.1 | -173.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y587 S588 S589 H590 | G581-Y587 CarbonylContact C-O 3.55Å; G581-Y587 WeakPolarHBondContact CA-O 3.5Å; G581-S588 PolarHBondContact N-O 3.16Å; G581-S589 CarbonylContact O-C 3.48Å; G581-S589 VanDerWaalsContact O-CA 3.3Å; G581-S589 WeakPolarHBondContact O-CA 3.33Å; G581-H590 PolarHBondContact O-N 3.5Å; G581-H590 PolarHBondContact O-ND1 3.47Å |
| 582 | H | 90.2 | Very high | 84.6 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 21% | 0.213 | 42% | 0.424 | C | S | . | . | trans | -152.2 | 151.6 | 173.1 | -171.6 | -92.2 | 0 | 0 | 0 | 108.7 | T584 G585 Y587 H590 G595 | H582-T584 PolarHBondContact ND1-N 3.19Å; H582-T584 PolarHBondContact ND1-OG1 2.57Å; H582-T584 PolarHBondContact O-N 2.98Å; H582-G585 PolarHBondContact O-N 2.91Å; H582-Y587 HydrophobicContact CB-CD2 4Å; H582-Y587 HydrophobicContact CB-CG 4.44Å; H582-Y587 WeakPolarHBondContact CB-O 3.46Å; H582-Y587 AromaticContact CG-CD2 3.68Å; H582-Y587 PolarHBondContact N-O 3.49Å; H582-Y587 VanDerWaalsContact N-O 3.15Å; H582-Y587 AromaticContact ND1-CD2 3.65Å; H582-H590 HydrophobicContact CB-CB 4.44Å; H582-G595 CarbonylContact C-O 3.07Å; H582-G595 VanDerWaalsContact CA-O 3.27Å; H582-G595 WeakPolarHBondContact CA-O 3.14Å; H582-G595 VanDerWaalsContact NE2-CA 3.32Å; H582-G595 WeakPolarHBondContact NE2-CA 2.93Å | ||
| 583 | I | 84.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 36% | 0.359 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19 | -176.7 | -163.6 | 169.5 | 0 | 0 | 0 | 114.1 | S594 G595 R601 | I583-S594 WeakPolarHBondContact CG2-O 3.39Å; I583-G595 PolarHBondContact N-O 3.15Å; I583-R601 VanDerWaalsContact CD1-NE 3.32Å |
| 584 | T | 83.2 | Confident | 84.6 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 45% | 0.454 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.5 | 174.9 | 60 | 0 | 0 | 0 | 0 | 113.8 | H582 N586 | H582-T584 PolarHBondContact ND1-N 3.19Å; H582-T584 PolarHBondContact ND1-OG1 2.57Å; H582-T584 PolarHBondContact O-N 2.98Å; T584-N586 PolarHBondContact O-N 2.85Å; T584-N586 PolarHBondContact O-OD1 3.33Å |
| 585 | G | 83 | Confident | 84.8 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 65% | 0.649 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 72.1 | -28.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | H582 Y587 | H582-G585 PolarHBondContact O-N 2.91Å; G585-Y587 VanDerWaalsContact C-N 3.3Å; G585-Y587 PolarHBondContact O-N 3.24Å |
| 586 | N | 86.9 | Confident | 85 | Confident | 136 Ų | 136 | 64.7 Ų | 64.7 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -74.2 | -3.8 | -167.9 | -66.3 | -2.3 | 0 | 0 | 0 | 116.6 | T584 | T584-N586 PolarHBondContact O-N 2.85Å; T584-N586 PolarHBondContact O-OD1 3.33Å |
| 587 | Y | 84.3 | Confident | 85.1 | Confident | 142 Ų | 142 | 65.3 Ų | 65.3 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | trans | -134.3 | 135.5 | -178.2 | -48.5 | -81.3 | 0 | 0 | 0 | 111.1 | G581 H582 G585 S589 | G581-Y587 CarbonylContact C-O 3.55Å; G581-Y587 WeakPolarHBondContact CA-O 3.5Å; H582-Y587 HydrophobicContact CB-CD2 4Å; H582-Y587 HydrophobicContact CB-CG 4.44Å; H582-Y587 WeakPolarHBondContact CB-O 3.46Å; H582-Y587 AromaticContact CG-CD2 3.68Å; H582-Y587 PolarHBondContact N-O 3.49Å; H582-Y587 VanDerWaalsContact N-O 3.15Å; H582-Y587 AromaticContact ND1-CD2 3.65Å; G585-Y587 VanDerWaalsContact C-N 3.3Å; G585-Y587 PolarHBondContact O-N 3.24Å; Y587-S589 PolarHBondContact O-N 3.02Å | ||
| 588 | S | 87.4 | Confident | 84.7 | Confident | 115 Ų | 115 | 71.4 Ų | 71.4 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -71.1 | -8.9 | -179.9 | -46.4 | 0 | 0 | 0 | 0 | 114.3 | G581 | G581-S588 PolarHBondContact N-O 3.16Š|
| 589 | S | 88.8 | Confident | 84.2 | Confident | 66 Ų | 66 | 69 Ų | 69 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -151.1 | 160.7 | 175.2 | 66.3 | 0 | 0 | 0 | 0 | 113 | G579 G581 Y587 | G579-S589 CarbonylContact O-C 3.56Å; G579-S589 WeakPolarHBondContact O-CA 3.42Å; G579-S589 WeakPolarHBondContact O-CB 3.3Å; G581-S589 CarbonylContact O-C 3.48Å; G581-S589 VanDerWaalsContact O-CA 3.3Å; G581-S589 WeakPolarHBondContact O-CA 3.33Å; Y587-S589 PolarHBondContact O-N 3.02Å |
| 590 | H | 90.7 | Very high | 83.1 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.037 | 43% | 0.429 | C | S | . | . | trans | -142.1 | 155.3 | 175.3 | 67.6 | -79.7 | 0 | 0 | 0 | 110 | C572 C577 G579 S580 G581 H582 C596 P597 | C572-H590 WeakPolarHBondContact CB-CD2 3.46Å; C572-H590 WeakPolarHBondContact CB-NE2 3.48Å; C572-H590 PolarHBondContact SG-NE2 3.36Å; C577-H590 PolarHBondContact SG-NE2 3Å; G579-H590 VanDerWaalsContact C-CE1 3.4Å; G579-H590 PolarHBondContact O-N 3.29Å; G579-H590 PolarHBondContact O-ND1 3.06Å; G579-H590 VanDerWaalsContact O-ND1 3.16Å; S580-H590 PolarHBondContact O-CE1 2.82Å; S580-H590 PolarHBondContact O-ND1 3.11Å; S580-H590 VanDerWaalsContact O-ND1 3.17Å; G581-H590 PolarHBondContact O-N 3.5Å; G581-H590 PolarHBondContact O-ND1 3.47Å; H582-H590 HydrophobicContact CB-CB 4.44Å; H590-C596 WeakPolarHBondContact CD2-CA 3.06Å; H590-C596 VanDerWaalsContact CD2-CB 3.5Å; H590-C596 WeakPolarHBondContact CD2-CB 3.39Å; H590-C596 WeakPolarHBondContact NE2-CA 3.31Å; H590-C596 WeakPolarHBondContact NE2-CB 3.14Å; H590-C596 PolarHBondContact NE2-SG 3.21Å; H590-C596 VanDerWaalsContact NE2-SG 3.38Å; H590-P597 WeakPolarHBondContact CE1-CD 3.33Å | ||
| 591 | R | 87.7 | Confident | 81.8 | Confident | 186 Ų | 186 | 78 Ų | 78 | 70% | 0.702 | 44% | 0.441 | S | S | * | . | trans | -128.9 | 8.7 | -176.5 | -55.9 | -175.2 | -171.7 | 171.1 | 1 | 113.6 | M570 | M570-R591 WeakPolarHBondContact O-CB 3.49Å; M570-R591 WeakPolarHBondContact O-CG 3.41Å | ||
| 592 | S | 82.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -139.1 | 155.9 | -174.5 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | S594 G595 C596 | S592-S594 PolarHBondContact O-N 3.39Å; S592-S594 PolarHBondContact OG-OG 3.14Å; S592-G595 PolarHBondContact O-N 2.06Å; S592-G595 VanDerWaalsContact O-N 3.16Å; S592-G595 PolarHBondContact OG-N 3.27Å; S592-C596 PolarHBondContact O-N 3.31Å |
| 593 | L | 82.6 | Confident | 78.4 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -57.3 | -33.9 | 171.9 | -62.7 | 178.6 | 0 | 0 | 0 | 112 | P573 T574 G595 C596 | P573-L593 HydrophobicContact CB-CD2 3.95Å; P573-L593 HydrophobicContact CB-CG 4.18Å; P573-L593 HydrophobicContact CG-CD2 4.4Å; P573-L593 HydrophobicContact CG-CG 4.26Å; T574-L593 WeakPolarHBondContact OG1-CD2 3.36Å; L593-G595 VanDerWaalsContact C-N 3.31Å; L593-G595 PolarHBondContact O-N 3.45Å; L593-C596 PolarHBondContact O-N 2.83Å |
| 594 | S | 81.9 | Confident | 76.3 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -66.2 | -28.8 | 178.7 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | I583 S592 | I583-S594 WeakPolarHBondContact CG2-O 3.39Å; S592-S594 PolarHBondContact O-N 3.39Å; S592-S594 PolarHBondContact OG-OG 3.14Å |
| 595 | G | 80.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 95.4 Ų | 95.4 | 0% | 0 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -96.8 | -7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H582 I583 S592 L593 | H582-G595 CarbonylContact C-O 3.07Å; H582-G595 VanDerWaalsContact CA-O 3.27Å; H582-G595 WeakPolarHBondContact CA-O 3.14Å; H582-G595 VanDerWaalsContact NE2-CA 3.32Å; H582-G595 WeakPolarHBondContact NE2-CA 2.93Å; I583-G595 PolarHBondContact N-O 3.15Å; S592-G595 PolarHBondContact O-N 2.06Å; S592-G595 VanDerWaalsContact O-N 3.16Å; S592-G595 PolarHBondContact OG-N 3.27Å; L593-G595 VanDerWaalsContact C-N 3.31Å; L593-G595 PolarHBondContact O-N 3.45Å |
| 596 | C | 85.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 101.9 Ų | 101.9 | 0% | 0 | 53% | 0.525 | C | S | . | . | trans | -77 | 123.5 | -169.5 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | C572 H590 S592 L593 R598 A599 | C572-C596 PolarHBondContact SG-SG 3.22Å; H590-C596 WeakPolarHBondContact CD2-CA 3.06Å; H590-C596 VanDerWaalsContact CD2-CB 3.5Å; H590-C596 WeakPolarHBondContact CD2-CB 3.39Å; H590-C596 WeakPolarHBondContact NE2-CA 3.31Å; H590-C596 WeakPolarHBondContact NE2-CB 3.14Å; H590-C596 PolarHBondContact NE2-SG 3.21Å; H590-C596 VanDerWaalsContact NE2-SG 3.38Å; S592-C596 PolarHBondContact O-N 3.31Å; L593-C596 PolarHBondContact O-N 2.83Å; C596-R598 PolarHBondContact O-N 3.25Å; C596-R598 PolarHBondContact SG-N 3.08Å; C596-A599 HydrophobicContact CB-CB 3.64Å; C596-A599 PolarHBondContact O-N 2.9Å; C596-A599 PolarHBondContact SG-N 3.31Å | ||
| 597 | P | 82.5 | Confident | 70.6 | Confident | 70 Ų | 70 | 101.1 Ų | 101.1 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15.2 | 173.7 | 31.6 | -32.8 | 0 | 0 | 0 | 112.6 | H590 | H590-P597 WeakPolarHBondContact CE1-CD 3.33Š|
| 598 | R | 78.7 | Confident | 68.9 | Low | 141 Ų | 141 | 96.8 Ų | 96.8 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -7.9 | 178.7 | -57.7 | 173.4 | 74.9 | 167.6 | -1.5 | 112.8 | G576 D578 C596 G600 | G576-R598 PolarHBondContact O-NH1 3.25Å; G576-R598 VanDerWaalsContact O-NH1 3.09Å; G576-R598 PolarHBondContact O-NH2 2.83Å; D578-R598 IonicContact OD1-CZ 3.64Å; D578-R598 IonicContact OD1-NH1 2.76Å; D578-R598 PolarHBondContact OD1-NH1 3.32Å; C596-R598 PolarHBondContact O-N 3.25Å; C596-R598 PolarHBondContact SG-N 3.08Å; R598-G600 PolarHBondContact O-N 3.19Å; R598-G600 VanDerWaalsContact O-N 3.11Å |
| 599 | A | 74.4 | Confident | 67.4 | Low | 25 Ų | 25 | 96.1 Ų | 96.1 | 21% | 0.207 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -73 | 104.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | C596 R601 | C596-A599 HydrophobicContact CB-CB 3.64Å; C596-A599 PolarHBondContact O-N 2.9Å; C596-A599 PolarHBondContact SG-N 3.31Å; A599-R601 PolarHBondContact O-N 3.45Å |
| 600 | G | 60.5 | Low | 65.8 | Low | 77 Ų | 77 | 100.3 Ų | 100.3 | 79% | 0.794 | 51% | 0.509 | S | S | * | . | trans | -61.3 | 93 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R598 | R598-G600 PolarHBondContact O-N 3.19Å; R598-G600 VanDerWaalsContact O-N 3.11Å | ||
| 601 | R | 58.3 | Low | 64.3 | Low | 181 Ų | 181 | 107 Ų | 107 | 68% | 0.683 | 55% | 0.545 | S | S | * | . | trans | -57.2 | 132.4 | 155.8 | -64.9 | -179.1 | -178.2 | -110.1 | -3 | 106.4 | I583 A599 K603 | I583-R601 VanDerWaalsContact CD1-NE 3.32Å; A599-R601 PolarHBondContact O-N 3.45Å; R601-K603 PolarHBondContact O-N 2.96Å; R601-K603 VanDerWaalsContact O-N 3.07Å | ||
| 602 | P | 51.4 | Low | 63.1 | Low | 110 Ų | 110 | 102.7 Ų | 102.7 | 71% | 0.714 | 54% | 0.535 | S | S | * | . | trans | -55.5 | 123.4 | 167.6 | 24.1 | -32.1 | 0 | 0 | 0 | 107.2 | R604 | P602-R604 VanDerWaalsContact C-N 3.32Å; P602-R604 PolarHBondContact O-N 2.92Å | ||
| 603 | K | 50.1 | Low | 62.7 | Low | 208 Ų | 208 | 106.1 Ų | 106.1 | 90% | 0.904 | 54% | 0.541 | S | S | * | . | trans | -61.1 | 103.8 | 165.3 | -76.8 | -176.8 | 178.1 | 179.1 | 0 | 105.2 | R601 | R601-K603 PolarHBondContact O-N 2.96Å; R601-K603 VanDerWaalsContact O-N 3.07Å | ||
| 604 | R | 40.5 | Very low | 62.7 | Low | 176 Ų | 176 | 102.9 Ų | 102.9 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | trans | -59.3 | 140.8 | 173.1 | -67.1 | -156.6 | 164.3 | -148.4 | -7 | 108.3 | P602 E608 | P602-R604 VanDerWaalsContact C-N 3.32Å; P602-R604 PolarHBondContact O-N 2.92Å; R604-E608 VanDerWaalsContact CD-CD 3.5Å; R604-E608 WeakPolarHBondContact CD-OE1 3.41Å; R604-E608 WeakPolarHBondContact CD-OE2 3.21Å; R604-E608 IonicContact CZ-OE1 3.54Å; R604-E608 IonicContact CZ-OE2 3.15Å; R604-E608 IonicContact NE-OE1 3.6Å; R604-E608 IonicContact NE-OE2 3.66Å; R604-E608 IonicContact NH1-OE1 2.72Å; R604-E608 PolarHBondContact NH1-OE1 3.27Å; R604-E608 IonicContact NH1-OE2 2.68Å; R604-E608 PolarHBondContact NH1-OE2 3.13Å | ||
| 605 | P | 41.8 | Very low | 62.7 | Low | 90 Ų | 90 | 103.3 Ų | 103.3 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | trans | -55.2 | 151.4 | 174.8 | 25.1 | -33.4 | 0 | 0 | 0 | 109.5 | D607 | P605-D607 PolarHBondContact O-N 3.02Š| ||
| 606 | K | 43.6 | Very low | 62.6 | Low | 198 Ų | 198 | 104.6 Ų | 104.6 | 86% | 0.861 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 15.6 | -160.3 | -155.5 | -168 | 165.7 | -162.4 | 0 | 113 | ||
| 607 | D | 48.9 | Very low | 62.4 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 65% | 0.647 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 2.5 | -159.6 | -46.9 | -72.6 | 0 | 0 | 0 | 112.1 | P605 T609 | P605-D607 PolarHBondContact O-N 3.02Å; D607-T609 PolarHBondContact O-N 3.43Å |
| 608 | E | 48.5 | Very low | 62.3 | Low | 50 Ų | 50 | 111.2 Ų | 111.2 | 23% | 0.234 | 59% | 0.591 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 14.2 | 173.4 | -64.4 | -167.3 | 165.7 | 0 | 0 | 114.5 | R604 E610 L611 L612 | R604-E608 VanDerWaalsContact CD-CD 3.5Å; R604-E608 WeakPolarHBondContact CD-OE1 3.41Å; R604-E608 WeakPolarHBondContact CD-OE2 3.21Å; R604-E608 IonicContact CZ-OE1 3.54Å; R604-E608 IonicContact CZ-OE2 3.15Å; R604-E608 IonicContact NE-OE1 3.6Å; R604-E608 IonicContact NE-OE2 3.66Å; R604-E608 IonicContact NH1-OE1 2.72Å; R604-E608 PolarHBondContact NH1-OE1 3.27Å; R604-E608 IonicContact NH1-OE2 2.68Å; R604-E608 PolarHBondContact NH1-OE2 3.13Å; E608-E610 PolarHBondContact O-N 3.04Å; E608-L611 PolarHBondContact O-N 2.91Å; E608-L612 PolarHBondContact O-N 3Å; E608-L612 VanDerWaalsContact O-N 3.16Å |
| 609 | T | 56.4 | Low | 62.7 | Low | 101 Ų | 101 | 104.8 Ų | 104.8 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -21.6 | 177 | 29.3 | 0 | 0 | 0 | 0 | 113.7 | D607 R613 | D607-T609 PolarHBondContact O-N 3.43Å; T609-R613 PolarHBondContact O-N 2.98Å |
| 610 | E | 54.8 | Low | 63.2 | Low | 154 Ų | 154 | 106.7 Ų | 106.7 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -38.9 | 173.3 | -60.5 | -161.4 | 123.6 | 0 | 0 | 112.8 | E608 L612 R613 | E608-E610 PolarHBondContact O-N 3.04Å; E610-L612 VanDerWaalsContact C-N 3.27Å; E610-L612 PolarHBondContact O-N 3.09Å; E610-R613 WeakPolarHBondContact O-CB 3.17Å; E610-R613 PolarHBondContact O-N 3.41Å |
| 611 | L | 58.5 | Low | 64.4 | Low | 150 Ų | 150 | 103.3 Ų | 103.3 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.8 | 179.2 | -61.8 | 179.4 | 0 | 0 | 0 | 113.6 | E608 | E608-L611 PolarHBondContact O-N 2.91Š|
| 612 | L | 62.2 | Low | 65.7 | Low | 94 Ų | 94 | 97.1 Ų | 97.1 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 0.9 | 169 | -61.3 | 178.5 | 0 | 0 | 0 | 113.2 | E608 E610 R633 | E608-L612 PolarHBondContact O-N 3Å; E608-L612 VanDerWaalsContact O-N 3.16Å; E610-L612 VanDerWaalsContact C-N 3.27Å; E610-L612 PolarHBondContact O-N 3.09Å; L612-R633 WeakPolarHBondContact O-CG 3.29Å |
| 613 | R | 74.8 | Confident | 67.2 | Low | 119 Ų | 119 | 93.2 Ų | 93.2 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -66.8 | 172.7 | 171.8 | -148.5 | 87.8 | 136.9 | 160.4 | -13.2 | 109.9 | T609 E610 D620 | T609-R613 PolarHBondContact O-N 2.98Å; E610-R613 WeakPolarHBondContact O-CB 3.17Å; E610-R613 PolarHBondContact O-N 3.41Å; R613-D620 VanDerWaalsContact CD-O 3.24Å; R613-D620 WeakPolarHBondContact CD-O 3.28Å; R613-D620 PolarHBondContact NE-O 3.27Å; R613-D620 PolarHBondContact NH1-O 3.3Å |
| 614 | C | 83 | Confident | 69.1 | Low | 8 Ų | 8 | 85.5 Ų | 85.5 | 5% | 0.054 | 47% | 0.47 | C | S | . | . | trans | -75.1 | 136.2 | 171.5 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | V616 C619 H632 S634 | C614-V616 PolarHBondContact O-N 3.32Å; C614-C619 HydrophobicContact CB-CB 4.3Å; C614-H632 WeakPolarHBondContact CB-NE2 3.32Å; C614-S634 PolarHBondContact SG-O 3.41Å | ||
| 615 | P | 82.7 | Confident | 71.2 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -77.3 | 41.3 | 179.3 | 34.2 | -38.5 | 0 | 0 | 0 | 112.9 | V635 | P615-V635 HydrophobicContact CG-CG2 3.98Š|
| 616 | V | 78.9 | Confident | 73.1 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 17% | 0.17 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -115.6 | 117.9 | 174.8 | 175 | 0 | 0 | 0 | 0 | 106.8 | C614 G618 C619 V635 P641 | C614-V616 PolarHBondContact O-N 3.32Å; V616-G618 PolarHBondContact O-N 2.83Å; V616-C619 HydrophobicContact CB-CB 3.66Å; V616-C619 HydrophobicContact CG1-CB 3.92Å; V616-C619 WeakPolarHBondContact O-CB 3.39Å; V616-C619 PolarHBondContact O-N 2.98Å; V616-V635 HydrophobicContact CG2-CB 4.11Å; V616-V635 HydrophobicContact CG2-CG1 3.9Å; V616-V635 HydrophobicContact CG2-CG2 3.92Å; V616-P641 HydrophobicContact CG1-CB 4.44Å; V616-P641 HydrophobicContact CG1-CG 4.15Å; V616-P641 HydrophobicContact CG2-CG 4.2Å |
| 617 | P | 79.9 | Confident | 75 | Confident | 128 Ų | 128 | 74.5 Ų | 74.5 | 83% | 0.831 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.8 | 177.6 | -28.3 | 36.1 | 0 | 0 | 0 | 111.8 | C619 | P617-C619 PolarHBondContact O-N 3.43Š|
| 618 | G | 80.5 | Confident | 76.8 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 84% | 0.835 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -0.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V616 | V616-G618 PolarHBondContact O-N 2.83Š|
| 619 | C | 86.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 81.1 Ų | 81.1 | 4% | 0.041 | 47% | 0.466 | C | S | . | . | trans | -88.7 | 117.6 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | C614 V616 P617 G621 H632 C638 L640 | C614-C619 HydrophobicContact CB-CB 4.3Å; V616-C619 HydrophobicContact CB-CB 3.66Å; V616-C619 HydrophobicContact CG1-CB 3.92Å; V616-C619 WeakPolarHBondContact O-CB 3.39Å; V616-C619 PolarHBondContact O-N 2.98Å; P617-C619 PolarHBondContact O-N 3.43Å; C619-G621 PolarHBondContact O-N 3.37Å; C619-H632 PolarHBondContact SG-CE1 3.38Å; C619-H632 PolarHBondContact SG-NE2 3.27Å; C619-C638 HydrophobicContact CB-CB 4.43Å; C619-C638 WeakPolarHBondContact CB-SG 3.24Å; C619-C638 WeakPolarHBondContact SG-CB 3.21Å; C619-C638 CovalentContact SG-SG 2.06Å; C619-C638 PolarHBondContact SG-SG 2.86Å; C619-L640 HydrophobicContact CB-CD1 4.06Å | ||
| 620 | D | 85.5 | Confident | 79.9 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 35% | 0.348 | 48% | 0.477 | S | S | . | . | trans | -78.1 | 2.3 | -175.7 | 79.1 | -30.9 | 0 | 0 | 0 | 114.4 | R613 S622 | R613-D620 VanDerWaalsContact CD-O 3.24Å; R613-D620 WeakPolarHBondContact CD-O 3.28Å; R613-D620 PolarHBondContact NE-O 3.27Å; R613-D620 PolarHBondContact NH1-O 3.3Å; D620-S622 VanDerWaalsContact CG-OG 3.26Å; D620-S622 PolarHBondContact O-N 3Å; D620-S622 VanDerWaalsContact OD1-CB 3.31Å; D620-S622 WeakPolarHBondContact OD1-CB 3.37Å; D620-S622 PolarHBondContact OD1-N 3.4Å; D620-S622 WeakPolarHBondContact OD2-CB 3.49Å; D620-S622 PolarHBondContact OD2-OG 2.91Å | ||
| 621 | G | 84.8 | Confident | 81.5 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 6% | 0.062 | 47% | 0.467 | C | S | . | . | S | Bend | trans | 72.3 | 1.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C619 T631 H632 | C619-G621 PolarHBondContact O-N 3.37Å; G621-T631 CarbonylContact O-C 3.57Å; G621-T631 WeakPolarHBondContact O-CA 3.48Å; G621-T631 WeakPolarHBondContact O-CB 3.5Å; G621-H632 WeakPolarHBondContact CA-CE1 3.41Å; G621-H632 PolarHBondContact O-N 2.83Å; G621-H632 PolarHBondContact O-ND1 3.25Å |
| 622 | S | 86.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 36% | 0.357 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -84.9 | 157.1 | 179.3 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | D620 H632 | D620-S622 VanDerWaalsContact CG-OG 3.26Å; D620-S622 PolarHBondContact O-N 3Å; D620-S622 VanDerWaalsContact OD1-CB 3.31Å; D620-S622 WeakPolarHBondContact OD1-CB 3.37Å; D620-S622 PolarHBondContact OD1-N 3.4Å; D620-S622 WeakPolarHBondContact OD2-CB 3.49Å; D620-S622 PolarHBondContact OD2-OG 2.91Å; S622-H632 PolarHBondContact O-CE1 3.43Å; S622-H632 PolarHBondContact O-ND1 3.32Å |
| 623 | G | 83.6 | Confident | 84.3 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 59.1 | -166.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y629 L630 T631 H632 | G623-Y629 CarbonylContact C-O 3.49Å; G623-Y629 VanDerWaalsContact CA-O 3.31Å; G623-Y629 WeakPolarHBondContact CA-O 3.42Å; G623-L630 PolarHBondContact N-O 2.74Å; G623-T631 CarbonylContact O-C 3.51Å; G623-T631 WeakPolarHBondContact O-CA 3.29Å; G623-H632 WeakPolarHBondContact O-CB 3.18Å; G623-H632 PolarHBondContact O-N 2.05Å; G623-H632 PolarHBondContact O-ND1 3.43Å |
| 624 | H | 89.5 | Confident | 84.7 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 21% | 0.208 | 43% | 0.432 | C | S | . | . | trans | -153.9 | 150.1 | 172.2 | -166.5 | -95.5 | 0 | 0 | 0 | 108.1 | T626 G627 Y629 H632 G637 | H624-T626 PolarHBondContact CE1-OG1 3.18Å; H624-T626 PolarHBondContact ND1-N 3.07Å; H624-T626 PolarHBondContact ND1-OG1 3.48Å; H624-T626 PolarHBondContact O-N 2.97Å; H624-G627 PolarHBondContact O-N 2.92Å; H624-Y629 HydrophobicContact CB-CD2 4.04Å; H624-Y629 AromaticContact CD2-CD2 3.81Å; H624-Y629 AromaticContact CG-CD2 3.68Å; H624-Y629 PolarHBondContact N-O 3.48Å; H624-Y629 AromaticContact ND1-CD2 3.79Å; H624-H632 HydrophobicContact CB-CB 4.43Å; H624-H632 VanDerWaalsContact CD2-CB 3.49Å; H624-H632 WeakPolarHBondContact CD2-CB 3.47Å; H624-G637 CarbonylContact C-O 3.22Å; H624-G637 WeakPolarHBondContact CA-O 3.39Å | ||
| 625 | I | 84 | Confident | 84.7 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -36.1 | 172.7 | -178.6 | -168.3 | 0 | 0 | 0 | 113.3 | S636 G637 T642 | I625-S636 WeakPolarHBondContact CG2-O 3.13Å; I625-G637 PolarHBondContact N-O 2.8Å; I625-T642 HydrophobicContact CD1-CG2 3.4Å; I625-T642 HydrophobicContact CG1-CG2 3.66Å |
| 626 | T | 82.7 | Confident | 84.7 | Confident | 82 Ų | 82 | 77 Ų | 77 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.6 | -176.2 | -29.3 | 0 | 0 | 0 | 0 | 113.8 | H624 K628 | H624-T626 PolarHBondContact CE1-OG1 3.18Å; H624-T626 PolarHBondContact ND1-N 3.07Å; H624-T626 PolarHBondContact ND1-OG1 3.48Å; H624-T626 PolarHBondContact O-N 2.97Å; T626-K628 HydrophobicContact CG2-CD 4.21Å; T626-K628 HydrophobicContact CG2-CG 4.26Å; T626-K628 PolarHBondContact O-N 3.12Å |
| 627 | G | 83.6 | Confident | 84.9 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 69% | 0.691 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 69 | -17.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H624 Y629 | H624-G627 PolarHBondContact O-N 2.92Å; G627-Y629 VanDerWaalsContact C-N 3.35Å; G627-Y629 PolarHBondContact O-N 3Å |
| 628 | K | 87 | Confident | 85.1 | Confident | 168 Ų | 168 | 69.7 Ų | 69.7 | 73% | 0.73 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -77.2 | -5.7 | -171.3 | -65.4 | -173.6 | -180 | -171.8 | 0 | 116.6 | T626 | T626-K628 HydrophobicContact CG2-CD 4.21Å; T626-K628 HydrophobicContact CG2-CG 4.26Å; T626-K628 PolarHBondContact O-N 3.12Å |
| 629 | Y | 84.4 | Confident | 85.3 | Confident | 141 Ų | 141 | 67.6 Ų | 67.6 | 55% | 0.553 | 38% | 0.379 | S | S | * | . | trans | -136.6 | 140.8 | -178.2 | -49.1 | -72.4 | 0 | 0 | 0 | 110.6 | G623 H624 G627 T631 | G623-Y629 CarbonylContact C-O 3.49Å; G623-Y629 VanDerWaalsContact CA-O 3.31Å; G623-Y629 WeakPolarHBondContact CA-O 3.42Å; H624-Y629 HydrophobicContact CB-CD2 4.04Å; H624-Y629 AromaticContact CD2-CD2 3.81Å; H624-Y629 AromaticContact CG-CD2 3.68Å; H624-Y629 PolarHBondContact N-O 3.48Å; H624-Y629 AromaticContact ND1-CD2 3.79Å; G627-Y629 VanDerWaalsContact C-N 3.35Å; G627-Y629 PolarHBondContact O-N 3Å; Y629-T631 PolarHBondContact O-N 3.17Å | ||
| 630 | L | 85.3 | Confident | 84.7 | Confident | 159 Ų | 159 | 71.8 Ų | 71.8 | 83% | 0.832 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -72.9 | -15 | 179.1 | -64.4 | 174 | 0 | 0 | 0 | 113.5 | G623 | G623-L630 PolarHBondContact N-O 2.74Š|
| 631 | T | 89.1 | Confident | 83.5 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -145.3 | 156.7 | 177.8 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | G621 G623 Y629 | G621-T631 CarbonylContact O-C 3.57Å; G621-T631 WeakPolarHBondContact O-CA 3.48Å; G621-T631 WeakPolarHBondContact O-CB 3.5Å; G623-T631 CarbonylContact O-C 3.51Å; G623-T631 WeakPolarHBondContact O-CA 3.29Å; Y629-T631 PolarHBondContact O-N 3.17Å |
| 632 | H | 91.2 | Very high | 82.3 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.037 | 40% | 0.399 | C | S | . | . | trans | -139.5 | 162.5 | 172.8 | 68.9 | -82.7 | 0 | 0 | 0 | 110.1 | C614 C619 G621 S622 G623 H624 C638 | C614-H632 WeakPolarHBondContact CB-NE2 3.32Å; C619-H632 PolarHBondContact SG-CE1 3.38Å; C619-H632 PolarHBondContact SG-NE2 3.27Å; G621-H632 WeakPolarHBondContact CA-CE1 3.41Å; G621-H632 PolarHBondContact O-N 2.83Å; G621-H632 PolarHBondContact O-ND1 3.25Å; S622-H632 PolarHBondContact O-CE1 3.43Å; S622-H632 PolarHBondContact O-ND1 3.32Å; G623-H632 WeakPolarHBondContact O-CB 3.18Å; G623-H632 PolarHBondContact O-N 2.05Å; G623-H632 PolarHBondContact O-ND1 3.43Å; H624-H632 HydrophobicContact CB-CB 4.43Å; H624-H632 VanDerWaalsContact CD2-CB 3.49Å; H624-H632 WeakPolarHBondContact CD2-CB 3.47Å; H632-C638 WeakPolarHBondContact CD2-CA 3.28Å; H632-C638 PolarHBondContact CD2-N 3.3Å; H632-C638 VanDerWaalsContact NE2-CA 3.28Å; H632-C638 WeakPolarHBondContact NE2-CA 3.17Å; H632-C638 WeakPolarHBondContact NE2-CB 3.38Å | ||
| 633 | R | 88 | Confident | 81 | Confident | 166 Ų | 166 | 78.6 Ų | 78.6 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | trans | -136.4 | 11.2 | -175.2 | -52.6 | -172.5 | -171.8 | 176.4 | 0.1 | 114.4 | L612 | L612-R633 WeakPolarHBondContact O-CG 3.29Š| ||
| 634 | S | 82.6 | Confident | 79.8 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 34% | 0.336 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -137.3 | 152.4 | -177.2 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | C614 S636 G637 C638 | C614-S634 PolarHBondContact SG-O 3.41Å; S634-S636 PolarHBondContact O-N 3.38Å; S634-S636 PolarHBondContact OG-OG 3.32Å; S634-G637 WeakPolarHBondContact O-CA 3.37Å; S634-G637 PolarHBondContact O-N 3.23Å; S634-G637 PolarHBondContact OG-N 3.16Å; S634-C638 PolarHBondContact O-N 3.41Å |
| 635 | V | 83.3 | Confident | 78.6 | Confident | 81 Ų | 81 | 86.2 Ų | 86.2 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -51.8 | -43.2 | 175.4 | -174 | 0 | 0 | 0 | 0 | 111 | P615 V616 G637 C638 | P615-V635 HydrophobicContact CG-CG2 3.98Å; V616-V635 HydrophobicContact CG2-CB 4.11Å; V616-V635 HydrophobicContact CG2-CG1 3.9Å; V616-V635 HydrophobicContact CG2-CG2 3.92Å; V635-G637 PolarHBondContact O-N 3.27Å; V635-G637 VanDerWaalsContact O-N 3.15Å; V635-C638 PolarHBondContact O-N 2.81Å |
| 636 | S | 82.4 | Confident | 77.8 | Confident | 92 Ų | 92 | 88.3 Ų | 88.3 | 64% | 0.643 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -63.8 | -13.1 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | I625 S634 | I625-S636 WeakPolarHBondContact CG2-O 3.13Å; S634-S636 PolarHBondContact O-N 3.38Å; S634-S636 PolarHBondContact OG-OG 3.32Å |
| 637 | G | 83.2 | Confident | 77.1 | Confident | 1 Ų | 1 | 90.3 Ų | 90.3 | 1% | 0.01 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -105.2 | -19.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H624 I625 S634 V635 | H624-G637 CarbonylContact C-O 3.22Å; H624-G637 WeakPolarHBondContact CA-O 3.39Å; I625-G637 PolarHBondContact N-O 2.8Å; S634-G637 WeakPolarHBondContact O-CA 3.37Å; S634-G637 PolarHBondContact O-N 3.23Å; S634-G637 PolarHBondContact OG-N 3.16Å; V635-G637 PolarHBondContact O-N 3.27Å; V635-G637 VanDerWaalsContact O-N 3.15Å |
| 638 | C | 84.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 45% | 0.454 | C | S | . | . | trans | -71.6 | 132.6 | -173.7 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | C619 H632 S634 V635 L640 P641 T642 | C619-C638 HydrophobicContact CB-CB 4.43Å; C619-C638 WeakPolarHBondContact CB-SG 3.24Å; C619-C638 WeakPolarHBondContact SG-CB 3.21Å; C619-C638 CovalentContact SG-SG 2.06Å; C619-C638 PolarHBondContact SG-SG 2.86Å; H632-C638 WeakPolarHBondContact CD2-CA 3.28Å; H632-C638 PolarHBondContact CD2-N 3.3Å; H632-C638 VanDerWaalsContact NE2-CA 3.28Å; H632-C638 WeakPolarHBondContact NE2-CA 3.17Å; H632-C638 WeakPolarHBondContact NE2-CB 3.38Å; S634-C638 PolarHBondContact O-N 3.41Å; V635-C638 PolarHBondContact O-N 2.81Å; C638-L640 VanDerWaalsContact C-N 3.33Å; C638-L640 PolarHBondContact SG-N 2.86Å; C638-L640 VanDerWaalsContact SG-N 3.45Å; C638-P641 VanDerWaalsContact CB-CD 3.47Å; C638-P641 HydrophobicContact CB-CG 3.81Å; C638-P641 WeakPolarHBondContact SG-CD 3.42Å; C638-T642 WeakPolarHBondContact O-CB 2.96Å; C638-T642 PolarHBondContact O-OG1 3.19Å | ||
| 639 | P | 84.1 | Confident | 75.9 | Confident | 38 Ų | 38 | 89.7 Ų | 89.7 | 25% | 0.247 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.1 | -32 | 175 | 27 | -32.8 | 0 | 0 | 0 | 112.6 | T642 R643 | P639-T642 PolarHBondContact O-N 3.4Å; P639-R643 PolarHBondContact O-N 3.01Å |
| 640 | L | 73 | Confident | 75.6 | Confident | 93 Ų | 93 | 87.4 Ų | 87.4 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.4 | -51.2 | -171.5 | -66.2 | 157.6 | 0 | 0 | 0 | 114.9 | C619 C638 T642 | C619-L640 HydrophobicContact CB-CD1 4.06Å; C638-L640 VanDerWaalsContact C-N 3.33Å; C638-L640 PolarHBondContact SG-N 2.86Å; C638-L640 VanDerWaalsContact SG-N 3.45Å; L640-T642 VanDerWaalsContact C-N 3.34Å |
| 641 | P | 60.4 | Low | 75.1 | Confident | 31 Ų | 31 | 82 Ų | 82 | 20% | 0.201 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.2 | -36.6 | 172.4 | 30.7 | -33.9 | 0 | 0 | 0 | 110.1 | V616 C638 R643 R644 T645 | V616-P641 HydrophobicContact CG1-CB 4.44Å; V616-P641 HydrophobicContact CG1-CG 4.15Å; V616-P641 HydrophobicContact CG2-CG 4.2Å; C638-P641 VanDerWaalsContact CB-CD 3.47Å; C638-P641 HydrophobicContact CB-CG 3.81Å; C638-P641 WeakPolarHBondContact SG-CD 3.42Å; P641-R643 VanDerWaalsContact C-N 3.32Å; P641-R643 PolarHBondContact O-N 3.43Å; P641-R644 PolarHBondContact O-N 2.9Å; P641-T645 WeakPolarHBondContact O-CB 3.39Å; P641-T645 PolarHBondContact O-N 2.9Å; P641-T645 PolarHBondContact O-OG1 2.96Å; P641-T645 VanDerWaalsContact O-OG1 3.08Å |
| 642 | T | 59.6 | Low | 74.5 | Confident | 33 Ų | 33 | 81 Ų | 81 | 20% | 0.202 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.4 | -23.3 | -171.5 | -42.2 | 0 | 0 | 0 | 0 | 113.3 | I625 C638 P639 L640 K646 | I625-T642 HydrophobicContact CD1-CG2 3.4Å; I625-T642 HydrophobicContact CG1-CG2 3.66Å; C638-T642 WeakPolarHBondContact O-CB 2.96Å; C638-T642 PolarHBondContact O-OG1 3.19Å; P639-T642 PolarHBondContact O-N 3.4Å; L640-T642 VanDerWaalsContact C-N 3.34Å; T642-K646 WeakPolarHBondContact O-CB 3.32Å; T642-K646 PolarHBondContact O-N 3.42Å |
| 643 | R | 59.1 | Low | 73.9 | Confident | 201 Ų | 201 | 86.4 Ų | 86.4 | 76% | 0.758 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.4 | -56.5 | 167.1 | -79.2 | -172 | 176.7 | -170.8 | -0.3 | 111.1 | P639 P641 T645 K646 M647 | P639-R643 PolarHBondContact O-N 3.01Å; P641-R643 VanDerWaalsContact C-N 3.32Å; P641-R643 PolarHBondContact O-N 3.43Å; R643-T645 PolarHBondContact O-N 2.75Å; R643-K646 PolarHBondContact O-N 2.82Å; R643-M647 WeakPolarHBondContact O-CB 3.38Å; R643-M647 VanDerWaalsContact O-CG 3.3Å; R643-M647 WeakPolarHBondContact O-CG 3.5Å; R643-M647 PolarHBondContact O-N 3.35Å |
| 644 | R | 58.5 | Low | 73.4 | Confident | 161 Ų | 161 | 85.2 Ų | 85.2 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -55.7 | -49.9 | 176 | -85.2 | -175 | 168.7 | 111.8 | -9.4 | 111.7 | P641 K646 M647 L648 E894 | P641-R644 PolarHBondContact O-N 2.9Å; R644-K646 PolarHBondContact O-N 3.3Å; R644-M647 PolarHBondContact O-N 3.44Å; R644-L648 WeakPolarHBondContact O-CB 3.17Å; R644-L648 WeakPolarHBondContact O-CG 3.34Å; R644-L648 PolarHBondContact O-N 2.89Å; R644-E894 IonicContact CZ-OE2 2.84Å; R644-E894 IonicContact NE-OE2 3.86Å; R644-E894 PolarHBondContact NE-OE2 3.1Å; R644-E894 IonicContact NH2-OE1 3.76Å; R644-E894 IonicContact NH2-OE2 2.99Å; R644-E894 PolarHBondContact NH2-OE2 3.48Å |
| 645 | T | 64.2 | Low | 72.9 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 179.5 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | P641 R643 L649 | P641-T645 WeakPolarHBondContact O-CB 3.39Å; P641-T645 PolarHBondContact O-N 2.9Å; P641-T645 PolarHBondContact O-OG1 2.96Å; P641-T645 VanDerWaalsContact O-OG1 3.08Å; R643-T645 PolarHBondContact O-N 2.75Å; T645-L649 HydrophobicContact CG2-CD1 4.06Å; T645-L649 WeakPolarHBondContact O-CB 3.32Å; T645-L649 WeakPolarHBondContact O-CD1 3.48Å; T645-L649 PolarHBondContact O-N 2.89Å |
| 646 | K | 66.9 | Low | 72.2 | Confident | 128 Ų | 128 | 91.9 Ų | 91.9 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.3 | -40.4 | 176.4 | -173.1 | -172.6 | 175.1 | -164 | 0 | 111.4 | T642 R643 R644 L649 Q650 | T642-K646 WeakPolarHBondContact O-CB 3.32Å; T642-K646 PolarHBondContact O-N 3.42Å; R643-K646 PolarHBondContact O-N 2.82Å; R644-K646 PolarHBondContact O-N 3.3Å; K646-L649 PolarHBondContact O-N 2.82Å; K646-Q650 HydrophobicContact CG-CG 4.4Å; K646-Q650 WeakPolarHBondContact O-CB 3.39Å; K646-Q650 WeakPolarHBondContact O-CG 3.49Å; K646-Q650 PolarHBondContact O-N 3.37Å |
| 647 | M | 68.8 | Low | 71.9 | Confident | 124 Ų | 124 | 90.9 Ų | 90.9 | 61% | 0.611 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 174.7 | -71.2 | -61.6 | -72.7 | 0 | 0 | 111.2 | R643 R644 L649 Q650 A651 | R643-M647 WeakPolarHBondContact O-CB 3.38Å; R643-M647 VanDerWaalsContact O-CG 3.3Å; R643-M647 WeakPolarHBondContact O-CG 3.5Å; R643-M647 PolarHBondContact O-N 3.35Å; R644-M647 PolarHBondContact O-N 3.44Å; M647-L649 PolarHBondContact O-N 3.31Å; M647-Q650 PolarHBondContact O-N 3.05Å; M647-A651 VanDerWaalsContact O-CB 3.31Å; M647-A651 WeakPolarHBondContact O-CB 3.48Å; M647-A651 PolarHBondContact O-N 3.3Å |
| 648 | L | 72.8 | Confident | 71.3 | Confident | 123 Ų | 123 | 94.3 Ų | 94.3 | 64% | 0.644 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 175.5 | -71.8 | 170.4 | 0 | 0 | 0 | 112.5 | R644 A651 A652 | R644-L648 WeakPolarHBondContact O-CB 3.17Å; R644-L648 WeakPolarHBondContact O-CG 3.34Å; R644-L648 PolarHBondContact O-N 2.89Å; L648-A651 PolarHBondContact O-N 3.43Å; L648-A652 WeakPolarHBondContact O-CB 3.46Å; L648-A652 PolarHBondContact O-N 2.94Å |
| 649 | L | 73.6 | Confident | 70.5 | Confident | 99 Ų | 99 | 103.7 Ų | 103.7 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 174.5 | -97.2 | 68.7 | 0 | 0 | 0 | 112.4 | T645 K646 M647 Q653 | T645-L649 HydrophobicContact CG2-CD1 4.06Å; T645-L649 WeakPolarHBondContact O-CB 3.32Å; T645-L649 WeakPolarHBondContact O-CD1 3.48Å; T645-L649 PolarHBondContact O-N 2.89Å; K646-L649 PolarHBondContact O-N 2.82Å; M647-L649 PolarHBondContact O-N 3.31Å; L649-Q653 VanDerWaalsContact O-CB 3.3Å; L649-Q653 WeakPolarHBondContact O-CB 3.46Å; L649-Q653 WeakPolarHBondContact O-CG 3.34Å; L649-Q653 PolarHBondContact O-N 3.21Å |
| 650 | Q | 76.5 | Confident | 69.5 | Low | 94 Ų | 94 | 109.5 Ų | 109.5 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -35.8 | 175.6 | -74.6 | -172.1 | -79 | 0 | 0 | 111.9 | K646 M647 Q653 K654 | K646-Q650 HydrophobicContact CG-CG 4.4Å; K646-Q650 WeakPolarHBondContact O-CB 3.39Å; K646-Q650 WeakPolarHBondContact O-CG 3.49Å; K646-Q650 PolarHBondContact O-N 3.37Å; M647-Q650 PolarHBondContact O-N 3.05Å; Q650-Q653 PolarHBondContact O-N 3.45Å; Q650-K654 VanDerWaalsContact O-CB 3.28Å; Q650-K654 WeakPolarHBondContact O-CB 3.42Å; Q650-K654 PolarHBondContact O-N 2.96Å |
| 651 | A | 75 | Confident | 69 | Low | 46 Ų | 46 | 111.9 Ų | 111.9 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M647 L648 Q653 K654 R655 | M647-A651 VanDerWaalsContact O-CB 3.31Å; M647-A651 WeakPolarHBondContact O-CB 3.48Å; M647-A651 PolarHBondContact O-N 3.3Å; L648-A651 PolarHBondContact O-N 3.43Å; A651-Q653 VanDerWaalsContact C-N 3.35Å; A651-Q653 PolarHBondContact O-N 2.74Å; A651-K654 PolarHBondContact O-N 3.38Å; A651-R655 WeakPolarHBondContact O-CB 3.36Å; A651-R655 WeakPolarHBondContact O-CG 3.37Å; A651-R655 PolarHBondContact O-N 2.96Å |
| 652 | A | 76.1 | Confident | 69 | Low | 60 Ų | 60 | 116.8 Ų | 116.8 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L648 H656 | L648-A652 WeakPolarHBondContact O-CB 3.46Å; L648-A652 PolarHBondContact O-N 2.94Å; A652-H656 WeakPolarHBondContact O-CB 3.3Å; A652-H656 PolarHBondContact O-N 3.45Å |
| 653 | Q | 78.7 | Confident | 68.2 | Low | 123 Ų | 123 | 121.5 Ų | 121.5 | 58% | 0.575 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -42.7 | 174.3 | -74.9 | 168.9 | 2.3 | 0 | 0 | 112.2 | L649 Q650 A651 H656 E657 | L649-Q653 VanDerWaalsContact O-CB 3.3Å; L649-Q653 WeakPolarHBondContact O-CB 3.46Å; L649-Q653 WeakPolarHBondContact O-CG 3.34Å; L649-Q653 PolarHBondContact O-N 3.21Å; Q650-Q653 PolarHBondContact O-N 3.45Å; A651-Q653 VanDerWaalsContact C-N 3.35Å; A651-Q653 PolarHBondContact O-N 2.74Å; Q653-H656 PolarHBondContact O-N 2.77Å; Q653-E657 VanDerWaalsContact O-CB 3.25Å; Q653-E657 WeakPolarHBondContact O-CB 3.04Å; Q653-E657 PolarHBondContact O-N 3.22Å |
| 654 | K | 79.1 | Confident | 67.6 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 61% | 0.609 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.2 | -40.2 | 176.4 | -166.9 | -179.5 | -179.7 | -171.3 | 0 | 111.3 | Q650 A651 E657 N658 | Q650-K654 VanDerWaalsContact O-CB 3.28Å; Q650-K654 WeakPolarHBondContact O-CB 3.42Å; Q650-K654 PolarHBondContact O-N 2.96Å; A651-K654 PolarHBondContact O-N 3.38Å; K654-E657 PolarHBondContact O-N 3.46Å; K654-N658 WeakPolarHBondContact O-CB 3.42Å; K654-N658 PolarHBondContact O-N 2.89Å |
| 655 | R | 71.7 | Confident | 66.8 | Low | 168 Ų | 168 | 117.3 Ų | 117.3 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61 | -44.5 | 170.5 | -76.6 | -179.1 | 172.5 | 165.6 | 1.5 | 111 | A651 E657 R659 E888 | A651-R655 WeakPolarHBondContact O-CB 3.36Å; A651-R655 WeakPolarHBondContact O-CG 3.37Å; A651-R655 PolarHBondContact O-N 2.96Å; R655-E657 PolarHBondContact O-N 2.81Å; R655-R659 WeakPolarHBondContact O-CB 3.38Å; R655-R659 PolarHBondContact O-N 2.86Å; R655-E888 IonicContact NH2-OE1 2.78Å; R655-E888 PolarHBondContact NH2-OE1 2.71Å |
| 656 | H | 68.7 | Low | 65.7 | Low | 101 Ų | 101 | 121.6 Ų | 121.6 | 47% | 0.468 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.6 | -32.4 | 177.1 | -162.2 | -41.2 | 0 | 0 | 0 | 113.1 | A652 Q653 R660 | A652-H656 WeakPolarHBondContact O-CB 3.3Å; A652-H656 PolarHBondContact O-N 3.45Å; Q653-H656 PolarHBondContact O-N 2.77Å; H656-R660 PolarHBondContact O-N 2.9Å |
| 657 | E | 75.1 | Confident | 64.3 | Low | 72 Ų | 72 | 121.2 Ų | 121.2 | 34% | 0.336 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -77.5 | -43 | 178.7 | -177.7 | 61.2 | -170.1 | 0 | 0 | 112 | Q653 K654 R655 R659 R660 K661 | Q653-E657 VanDerWaalsContact O-CB 3.25Å; Q653-E657 WeakPolarHBondContact O-CB 3.04Å; Q653-E657 PolarHBondContact O-N 3.22Å; K654-E657 PolarHBondContact O-N 3.46Å; R655-E657 PolarHBondContact O-N 2.81Å; E657-R659 VanDerWaalsContact C-N 3.28Å; E657-R659 PolarHBondContact O-N 3.4Å; E657-R660 WeakPolarHBondContact O-CB 3.47Å; E657-R660 PolarHBondContact O-N 3.31Å; E657-R660 IonicContact OE2-NH1 3.54Å; E657-K661 HydrophobicContact CG-CD 4.34Å; E657-K661 PolarHBondContact O-N 3.47Å; E657-K661 VanDerWaalsContact O-N 3.07Å; E657-K661 VanDerWaalsContact OE1-CE 3.26Å; E657-K661 WeakPolarHBondContact OE1-CE 3.43Å; E657-K661 IonicContact OE1-NZ 3.84Å; E657-K661 PolarHBondContact OE1-NZ 2.82Å |
| 658 | N | 70.9 | Confident | 63.2 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 39% | 0.39 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61 | -39.2 | 170.6 | -77 | 11 | 0 | 0 | 0 | 110.8 | K654 R660 K661 I662 | K654-N658 WeakPolarHBondContact O-CB 3.42Å; K654-N658 PolarHBondContact O-N 2.89Å; N658-R660 PolarHBondContact O-N 2.99Å; N658-K661 PolarHBondContact O-N 3.39Å; N658-I662 HydrophobicContact CB-CD1 4.2Å; N658-I662 WeakPolarHBondContact O-CB 3.49Å; N658-I662 VanDerWaalsContact O-CG1 3.32Å; N658-I662 WeakPolarHBondContact O-CG1 3.32Å; N658-I662 PolarHBondContact O-N 3.43Å |
| 659 | R | 66.9 | Low | 61.6 | Low | 196 Ų | 196 | 118.8 Ų | 118.8 | 74% | 0.74 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.5 | -15.8 | 173.8 | -168.9 | 168.8 | -178.3 | -102.7 | -0.7 | 114.1 | R655 E657 | R655-R659 WeakPolarHBondContact O-CB 3.38Å; R655-R659 PolarHBondContact O-N 2.86Å; E657-R659 VanDerWaalsContact C-N 3.28Å; E657-R659 PolarHBondContact O-N 3.4Å |
| 660 | R | 63.7 | Low | 59.7 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -87 | -30.4 | 166.9 | -73.7 | 177.3 | 178.8 | 139.7 | 0.4 | 113.1 | H656 E657 N658 | H656-R660 PolarHBondContact O-N 2.9Å; E657-R660 WeakPolarHBondContact O-CB 3.47Å; E657-R660 PolarHBondContact O-N 3.31Å; E657-R660 IonicContact OE2-NH1 3.54Å; N658-R660 PolarHBondContact O-N 2.99Å |
| 661 | K | 63.4 | Low | 57.9 | Low | 144 Ų | 144 | 117.8 Ų | 117.8 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.1 | -25.7 | -178.8 | -75.6 | 164 | 167.7 | 147.1 | 0 | 114 | E657 N658 | E657-K661 HydrophobicContact CG-CD 4.34Å; E657-K661 PolarHBondContact O-N 3.47Å; E657-K661 VanDerWaalsContact O-N 3.07Å; E657-K661 VanDerWaalsContact OE1-CE 3.26Å; E657-K661 WeakPolarHBondContact OE1-CE 3.43Å; E657-K661 IonicContact OE1-NZ 3.84Å; E657-K661 PolarHBondContact OE1-NZ 2.82Å; N658-K661 PolarHBondContact O-N 3.39Å |
| 662 | I | 59.3 | Low | 56.3 | Low | 134 Ų | 134 | 120.7 Ų | 120.7 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -90.4 | -10.7 | -179.6 | -64 | 165.7 | 0 | 0 | 0 | 111.8 | N658 P664 | N658-I662 HydrophobicContact CB-CD1 4.2Å; N658-I662 WeakPolarHBondContact O-CB 3.49Å; N658-I662 VanDerWaalsContact O-CG1 3.32Å; N658-I662 WeakPolarHBondContact O-CG1 3.32Å; N658-I662 PolarHBondContact O-N 3.43Å; I662-P664 WeakPolarHBondContact O-CD 3.31Å |
| 663 | L | 42.6 | Very low | 54.7 | Low | 131 Ų | 131 | 123.2 Ų | 123.2 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -87.8 | 118.1 | 177.6 | -167.2 | 70.4 | 0 | 0 | 0 | 110.5 | H665 | L663-H665 PolarHBondContact O-N 2.86Š|
| 664 | P | 47 | Very low | 52.5 | Low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -64.2 | 136.1 | 179 | -22 | 34.2 | 0 | 0 | 0 | 112.1 | I662 H666 | I662-P664 WeakPolarHBondContact O-CD 3.31Å; P664-H666 PolarHBondContact O-N 3.44Å | ||
| 665 | H | 42.8 | Very low | 50.4 | Low | 163 Ų | 163 | 125.4 Ų | 125.4 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -72.2 | 94.7 | 174.7 | -128.9 | -97.3 | 0 | 0 | 0 | 109.6 | L663 D667 | L663-H665 PolarHBondContact O-N 2.86Å; H665-D667 VanDerWaalsContact C-N 3.25Å; H665-D667 IonicContact CE1-OD1 3.94Å; H665-D667 IonicContact CE1-OD2 3.26Å; H665-D667 IonicContact CG-OD2 2.74Å; H665-D667 IonicContact ND1-OD1 2.89Å; H665-D667 PolarHBondContact ND1-OD1 2.77Å; H665-D667 IonicContact ND1-OD2 3.48Å; H665-D667 PolarHBondContact ND1-OD2 2.58Å; H665-D667 PolarHBondContact O-N 3.29Å | ||
| 666 | H | 39.5 | Very low | 49.1 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -83.2 | 69.1 | 178.9 | -171.2 | -73.5 | 0 | 0 | 0 | 110.8 | P664 T668 | P664-H666 PolarHBondContact O-N 3.44Å; H666-T668 PolarHBondContact O-N 2.86Å; H666-T668 VanDerWaalsContact O-N 3.14Å | ||
| 667 | D | 39 | Very low | 47.5 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | trans | -74 | 100.2 | -179.4 | -67.6 | -45.6 | 0 | 0 | 0 | 111.5 | H665 G669 | H665-D667 VanDerWaalsContact C-N 3.25Å; H665-D667 IonicContact CE1-OD1 3.94Å; H665-D667 IonicContact CE1-OD2 3.26Å; H665-D667 IonicContact CG-OD2 2.74Å; H665-D667 IonicContact ND1-OD1 2.89Å; H665-D667 PolarHBondContact ND1-OD1 2.77Å; H665-D667 IonicContact ND1-OD2 3.48Å; H665-D667 PolarHBondContact ND1-OD2 2.58Å; H665-D667 PolarHBondContact O-N 3.29Å; D667-G669 VanDerWaalsContact C-N 3.3Å; D667-G669 PolarHBondContact O-N 2.95Å | ||
| 668 | T | 45.4 | Very low | 46 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -73.2 | 81.6 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | H666 | H666-T668 PolarHBondContact O-N 2.86Å; H666-T668 VanDerWaalsContact O-N 3.14Å | ||
| 669 | G | 37.8 | Very low | 44.5 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -74 | -164.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | D667 | D667-G669 VanDerWaalsContact C-N 3.3Å; D667-G669 PolarHBondContact O-N 2.95Å | ||
| 670 | C | 34.7 | Very low | 43.4 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 47% | 0.473 | 73% | 0.727 | S | S | . | * | trans | -145.9 | 129.4 | 167.4 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | S267 | S267-C670 WeakPolarHBondContact CB-SG 3.44Š| ||
| 671 | S | 37.6 | Very low | 42.4 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | -7 | 153 | 151.4 | -52.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 672 | S | 42.4 | Very low | 41.5 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | cis | -160.8 | -139 | -12.5 | -83.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 673 | P | 43.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | -127.5 | 167.1 | -108.4 | 41 | -24.2 | 0 | 0 | 0 | 116.5 | |||||
| 674 | N | 32.4 | Very low | 40.3 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | 167.7 | 166.1 | 104.8 | 74 | 17.2 | 0 | 0 | 0 | 116.3 | |||||
| 675 | E | 34.4 | Very low | 39.7 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 45.3 | 93.6 | 145.2 | -59.3 | -96 | 98.4 | 0 | 0 | 120.8 | ||||
| 676 | S | 44.1 | Very low | 39.5 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | -176 | 110 | 106 | -83 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 677 | L | 35.2 | Very low | 39.3 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 90% | 0.895 | 75% | 0.747 | S | S | * | * | trans | -78.7 | 134.6 | 167.6 | -78.6 | 154.1 | 0 | 0 | 0 | 111.3 | ||||
| 678 | K | 42.7 | Very low | 39.3 | Very low | 212 Ų | 212 | 131.4 Ų | 131.4 | 92% | 0.922 | 76% | 0.758 | S | S | * | * | trans | -155.6 | 116.7 | 144.4 | -109.2 | 143.6 | -170.3 | 165.9 | 0 | 110.8 | ||||
| 679 | S | 39.8 | Very low | 38.8 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -87.4 | 159.8 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 680 | N | 43.5 | Very low | 38.8 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | -178.7 | 158.6 | 106.6 | -93.2 | 1.8 | 0 | 0 | 0 | 114.7 | |||||
| 681 | D | 43.8 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | 80.3 | 113.4 | 149 | -78.1 | -51.2 | 0 | 0 | 0 | 122.2 | ||||
| 682 | K | 44.4 | Very low | 38.7 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 97.8 | 76.4 | 136.9 | -66.5 | 164.1 | -171.7 | 170.5 | 0 | 120.9 | ||||
| 683 | Q | 37.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -52 | 170.3 | 130.5 | -116.5 | -170.7 | -15.9 | 0 | 0 | 112.2 | ||||
| 684 | P | 39.5 | Very low | 38.5 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | -155.9 | -179.3 | 50.5 | 44.8 | -23.2 | 0 | 0 | 0 | 120.2 | |||||
| 685 | H | 33.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 66.5 | 110.3 | 153.8 | -58.9 | -46.7 | 0 | 0 | 0 | 122.3 | ||||
| 686 | H | 39.3 | Very low | 38.4 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | -179.9 | 134.4 | 117.3 | -93.7 | -79.6 | 0 | 0 | 0 | 106 | |||||
| 687 | A | 34.9 | Very low | 38.3 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | cis | 108.3 | 126.9 | 14.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 688 | A | 39.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | trans | 93.4 | 146.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 689 | Q | 34.8 | Very low | 38.7 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -131.5 | 164.2 | 177.1 | -78.9 | -110.1 | -77.4 | 0 | 0 | 105.1 | ||||
| 690 | P | 37.7 | Very low | 39.5 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | cis | -148.4 | -153.6 | 44.3 | 42.2 | -18.9 | 0 | 0 | 0 | 115.5 | ||||
| 691 | D | 35.8 | Very low | 40.1 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 79.9 | 114.9 | 167.7 | -54.9 | -26.4 | 0 | 0 | 0 | 117.5 | ||||
| 692 | E | 32.9 | Very low | 41.4 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -118.1 | 114 | -169.7 | -180 | 179.6 | -168.4 | 0 | 0 | 110.1 | ||||
| 693 | P | 43.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 143.3 | 172.3 | 30.5 | -33.1 | 0 | 0 | 0 | 110.7 | ||
| 694 | P | 38.9 | Very low | 43.2 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 139.1 | -167.8 | 27.1 | -35.3 | 0 | 0 | 0 | 113.4 | M696 | P694-M696 PolarHBondContact O-N 3.17Š|
| 695 | I | 31.1 | Very low | 44.6 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 117.5 | 170.8 | -60.3 | 167.6 | 0 | 0 | 0 | 109.2 | N697 | I695-N697 PolarHBondContact O-N 3.2Š|
| 696 | M | 33.4 | Very low | 46.3 | Very low | 187 Ų | 187 | 128 Ų | 128 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -70 | 96.7 | 174.6 | -67.7 | -159.9 | 80.4 | 0 | 0 | 110.5 | P694 | P694-M696 PolarHBondContact O-N 3.17Š| ||
| 697 | N | 41.5 | Very low | 47.2 | Very low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -56 | 158.3 | 170.4 | -125.6 | 2.3 | 0 | 0 | 0 | 110.8 | I695 | I695-N697 PolarHBondContact O-N 3.2Š| ||
| 698 | P | 37.8 | Very low | 48.6 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -61.8 | 145.6 | 175 | 28.8 | -33.6 | 0 | 0 | 0 | 110.1 | S700 | P698-S700 PolarHBondContact O-N 3.28Š|
| 699 | R | 49 | Very low | 50 | Low | 176 Ų | 176 | 125.1 Ų | 125.1 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | trans | -41.2 | 128.4 | 179.2 | -90.1 | -176.7 | 168.7 | 179.3 | -6 | 111 | ||||
| 700 | S | 56.4 | Low | 51.6 | Low | 52 Ų | 52 | 122.3 Ų | 122.3 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | trans | -61.1 | 151.5 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | P698 K702 E703 T704 | P698-S700 PolarHBondContact O-N 3.28Å; S700-K702 PolarHBondContact O-N 2.72Å; S700-E703 WeakPolarHBondContact CB-OE2 3.03Å; S700-E703 PolarHBondContact N-OE2 2.82Å; S700-E703 PolarHBondContact O-N 3.46Å; S700-E703 VanDerWaalsContact O-N 3.1Å; S700-E703 VanDerWaalsContact OG-CG 3.31Å; S700-E703 WeakPolarHBondContact OG-CG 3.39Å; S700-E703 PolarHBondContact OG-N 2.87Å; S700-E703 PolarHBondContact OG-OE2 2.86Å; S700-T704 PolarHBondContact O-N 3.15Å; S700-T704 VanDerWaalsContact O-N 3.14Å; S700-T704 PolarHBondContact O-OG1 3.16Å | ||
| 701 | E | 55.7 | Low | 52.4 | Low | 165 Ų | 165 | 120.2 Ų | 120.2 | 77% | 0.771 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -55.5 | -33.8 | 173.9 | -167.3 | 165.4 | -145.6 | 0 | 0 | 110.8 | T704 I705 | E701-T704 PolarHBondContact O-N 2.78Å; E701-I705 HydrophobicContact CG-CD1 4.22Å; E701-I705 VanDerWaalsContact O-CG1 3.27Å; E701-I705 WeakPolarHBondContact O-CG1 3.14Å; E701-I705 PolarHBondContact O-N 3.21Å |
| 702 | K | 70.6 | Confident | 53.5 | Low | 155 Ų | 155 | 118.1 Ų | 118.1 | 67% | 0.674 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.5 | -39.7 | 176.4 | -159.3 | 169.9 | -173.5 | 176 | 0 | 113.8 | S700 T704 I705 N706 | S700-K702 PolarHBondContact O-N 2.72Å; K702-T704 VanDerWaalsContact C-N 3.31Å; K702-I705 PolarHBondContact O-N 2.76Å; K702-N706 WeakPolarHBondContact O-CB 3.27Å; K702-N706 VanDerWaalsContact O-CG 3.27Å; K702-N706 PolarHBondContact O-N 3.37Å; K702-N706 PolarHBondContact O-OD1 3.33Å |
| 703 | E | 60.9 | Low | 55.2 | Low | 96 Ų | 96 | 115.6 Ų | 115.6 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.8 | -33.8 | 172.5 | -72 | 161 | 117.8 | 0 | 0 | 112 | S700 N706 F707 | S700-E703 WeakPolarHBondContact CB-OE2 3.03Å; S700-E703 PolarHBondContact N-OE2 2.82Å; S700-E703 PolarHBondContact O-N 3.46Å; S700-E703 VanDerWaalsContact O-N 3.1Å; S700-E703 VanDerWaalsContact OG-CG 3.31Å; S700-E703 WeakPolarHBondContact OG-CG 3.39Å; S700-E703 PolarHBondContact OG-N 2.87Å; S700-E703 PolarHBondContact OG-OE2 2.86Å; E703-N706 PolarHBondContact O-N 3.48Å; E703-F707 WeakPolarHBondContact O-CB 3.38Å; E703-F707 PolarHBondContact O-N 3.02Å |
| 704 | T | 59.4 | Low | 56 | Low | 60 Ų | 60 | 114.4 Ų | 114.4 | 37% | 0.368 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.5 | -39.1 | 176.6 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | S700 E701 K702 L708 | S700-T704 PolarHBondContact O-N 3.15Å; S700-T704 VanDerWaalsContact O-N 3.14Å; S700-T704 PolarHBondContact O-OG1 3.16Å; E701-T704 PolarHBondContact O-N 2.78Å; K702-T704 VanDerWaalsContact C-N 3.31Å; T704-L708 HydrophobicContact CG2-CD1 4.44Å; T704-L708 WeakPolarHBondContact O-CB 3.34Å; T704-L708 WeakPolarHBondContact O-CG 3.35Å; T704-L708 PolarHBondContact O-N 3.05Å |
| 705 | I | 69.6 | Low | 56.8 | Low | 91 Ų | 91 | 111.7 Ų | 111.7 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.3 | -47.4 | 171.1 | -70.4 | 162.4 | 0 | 0 | 0 | 110.6 | E701 K702 F707 L708 Q709 | E701-I705 HydrophobicContact CG-CD1 4.22Å; E701-I705 VanDerWaalsContact O-CG1 3.27Å; E701-I705 WeakPolarHBondContact O-CG1 3.14Å; E701-I705 PolarHBondContact O-N 3.21Å; K702-I705 PolarHBondContact O-N 2.76Å; I705-F707 PolarHBondContact O-N 3.03Å; I705-L708 PolarHBondContact O-N 2.82Å; I705-Q709 WeakPolarHBondContact O-CB 3.3Å; I705-Q709 PolarHBondContact O-N 3.17Å |
| 706 | N | 70 | Confident | 58.6 | Low | 96 Ų | 96 | 108.7 Ų | 108.7 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.6 | -47.7 | 177.4 | -75.8 | 5.5 | 0 | 0 | 0 | 111.5 | K702 E703 L708 Q709 E710 | K702-N706 WeakPolarHBondContact O-CB 3.27Å; K702-N706 VanDerWaalsContact O-CG 3.27Å; K702-N706 PolarHBondContact O-N 3.37Å; K702-N706 PolarHBondContact O-OD1 3.33Å; E703-N706 PolarHBondContact O-N 3.48Å; N706-L708 VanDerWaalsContact C-N 3.33Å; N706-L708 PolarHBondContact O-N 3.28Å; N706-Q709 PolarHBondContact O-N 2.93Å; N706-Q709 VanDerWaalsContact O-N 3.11Å; N706-E710 VanDerWaalsContact O-CB 3.3Å; N706-E710 WeakPolarHBondContact O-CB 3.26Å; N706-E710 PolarHBondContact O-N 2.96Å |
| 707 | F | 58.1 | Low | 60 | Low | 103 Ų | 103 | 103.4 Ų | 103.4 | 45% | 0.452 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.6 | -37 | 177.4 | -178.6 | -104.3 | 0 | 0 | 0 | 112.8 | E703 I705 Q709 C711 | E703-F707 WeakPolarHBondContact O-CB 3.38Å; E703-F707 PolarHBondContact O-N 3.02Å; I705-F707 PolarHBondContact O-N 3.03Å; F707-Q709 VanDerWaalsContact C-N 3.34Å; F707-C711 WeakPolarHBondContact O-CB 3.48Å; F707-C711 PolarHBondContact O-N 3.32Å; F707-C711 PolarHBondContact O-SG 2.94Å |
| 708 | L | 63.5 | Low | 61 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.4 | -29.4 | 174.1 | -76.2 | 170 | 0 | 0 | 0 | 112.9 | T704 I705 N706 Q712 | T704-L708 HydrophobicContact CG2-CD1 4.44Å; T704-L708 WeakPolarHBondContact O-CB 3.34Å; T704-L708 WeakPolarHBondContact O-CG 3.35Å; T704-L708 PolarHBondContact O-N 3.05Å; I705-L708 PolarHBondContact O-N 2.82Å; N706-L708 VanDerWaalsContact C-N 3.33Å; N706-L708 PolarHBondContact O-N 3.28Å; L708-Q712 WeakPolarHBondContact O-CG 3.31Å; L708-Q712 PolarHBondContact O-N 3.05Å; L708-Q712 PolarHBondContact O-NE2 3.29Å |
| 709 | Q | 68.3 | Low | 62.1 | Low | 119 Ų | 119 | 101.5 Ų | 101.5 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.8 | -39.2 | 176.5 | -171.6 | 159.6 | -28.5 | 0 | 0 | 111.4 | I705 N706 F707 Q712 T713 | I705-Q709 WeakPolarHBondContact O-CB 3.3Å; I705-Q709 PolarHBondContact O-N 3.17Å; N706-Q709 PolarHBondContact O-N 2.93Å; N706-Q709 VanDerWaalsContact O-N 3.11Å; F707-Q709 VanDerWaalsContact C-N 3.34Å; Q709-Q712 WeakPolarHBondContact O-CA 3.39Å; Q709-Q712 WeakPolarHBondContact O-CB 3.5Å; Q709-Q712 PolarHBondContact O-N 2.86Å; Q709-T713 PolarHBondContact O-N 2.95Å; Q709-T713 PolarHBondContact O-OG1 3.01Å |
| 710 | E | 69 | Low | 62.7 | Low | 126 Ų | 126 | 95.1 Ų | 95.1 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -46.1 | 170 | -175.4 | 172.9 | -137.3 | 0 | 0 | 111.3 | N706 Q712 T713 A714 | N706-E710 VanDerWaalsContact O-CB 3.3Å; N706-E710 WeakPolarHBondContact O-CB 3.26Å; N706-E710 PolarHBondContact O-N 2.96Å; E710-Q712 VanDerWaalsContact C-N 3.26Å; E710-Q712 PolarHBondContact O-N 2.9Å; E710-T713 WeakPolarHBondContact CA-OG1 3.37Å; E710-T713 PolarHBondContact O-N 3.44Å; E710-T713 PolarHBondContact O-OG1 3.32Å; E710-A714 WeakPolarHBondContact O-CB 3.39Å; E710-A714 PolarHBondContact O-N 2.98Å |
| 711 | C | 54.4 | Low | 63 | Low | 56 Ų | 56 | 98.7 Ų | 98.7 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -30.1 | 171.2 | -70.9 | 0 | 0 | 0 | 0 | 113.4 | F707 M715 | F707-C711 WeakPolarHBondContact O-CB 3.48Å; F707-C711 PolarHBondContact O-N 3.32Å; F707-C711 PolarHBondContact O-SG 2.94Å; C711-M715 WeakPolarHBondContact O-CG 3.29Å |
| 712 | Q | 59.9 | Low | 62.8 | Low | 110 Ų | 110 | 93.1 Ų | 93.1 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.5 | -35.5 | 175.3 | -79.4 | 168.1 | 72.6 | 0 | 0 | 112.3 | L708 Q709 E710 | L708-Q712 WeakPolarHBondContact O-CG 3.31Å; L708-Q712 PolarHBondContact O-N 3.05Å; L708-Q712 PolarHBondContact O-NE2 3.29Å; Q709-Q712 WeakPolarHBondContact O-CA 3.39Å; Q709-Q712 WeakPolarHBondContact O-CB 3.5Å; Q709-Q712 PolarHBondContact O-N 2.86Å; E710-Q712 VanDerWaalsContact C-N 3.26Å; E710-Q712 PolarHBondContact O-N 2.9Å |
| 713 | T | 67 | Low | 61.9 | Low | 114 Ų | 114 | 90.2 Ų | 90.2 | 70% | 0.699 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -75.4 | -27.2 | 175.6 | 46 | 0 | 0 | 0 | 0 | 113.3 | Q709 E710 M715 | Q709-T713 PolarHBondContact O-N 2.95Å; Q709-T713 PolarHBondContact O-OG1 3.01Å; E710-T713 WeakPolarHBondContact CA-OG1 3.37Å; E710-T713 PolarHBondContact O-N 3.44Å; E710-T713 PolarHBondContact O-OG1 3.32Å; T713-M715 VanDerWaalsContact C-N 3.25Å; T713-M715 PolarHBondContact O-N 3.13Å |
| 714 | A | 61.3 | Low | 61.4 | Low | 84 Ų | 84 | 94.5 Ų | 94.5 | 69% | 0.694 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E710 | E710-A714 WeakPolarHBondContact O-CB 3.39Å; E710-A714 PolarHBondContact O-N 2.98Å |
| 715 | M | 56.8 | Low | 61.2 | Low | 63 Ų | 63 | 97 Ų | 97 | 31% | 0.31 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -93.1 | 130 | 178.6 | -68.8 | -100.2 | -76.8 | 0 | 0 | 110.4 | C711 T713 A717 L719 M723 | C711-M715 WeakPolarHBondContact O-CG 3.29Å; T713-M715 VanDerWaalsContact C-N 3.25Å; T713-M715 PolarHBondContact O-N 3.13Å; M715-A717 PolarHBondContact O-N 3.23Å; M715-L719 HydrophobicContact CE-CD2 3.71Å; M715-L719 HydrophobicContact CE-CG 3.85Å; M715-L719 HydrophobicContact SD-CD2 3.56Å; M715-L719 VanDerWaalsContact SD-CD2 3.56Å; M715-L719 HydrophobicContact SD-CG 4.34Å; M715-M723 HydrophobicContact CE-CE 3.35Å; M715-M723 HydrophobicContact CE-SD 3.78Å |
| 716 | P | 67.2 | Low | 59.9 | Low | 84 Ų | 84 | 97.3 Ų | 97.3 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | trans | -53.8 | 138.2 | 175.6 | -27.3 | 34.9 | 0 | 0 | 0 | 112 | Q718 L719 L720 | P716-Q718 PolarHBondContact O-N 3.44Å; P716-Q718 VanDerWaalsContact O-N 3.1Å; P716-L719 WeakPolarHBondContact O-CA 3.42Å; P716-L719 WeakPolarHBondContact O-CB 3.23Å; P716-L719 PolarHBondContact O-N 3.18Å; P716-L720 PolarHBondContact O-N 3.39Å; P716-L720 VanDerWaalsContact O-N 3.13Å | ||
| 717 | A | 63.6 | Low | 59 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.5 | -37 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M715 L719 L720 Q721 | M715-A717 PolarHBondContact O-N 3.23Å; A717-L719 VanDerWaalsContact C-N 3.31Å; A717-L719 PolarHBondContact O-N 2.98Å; A717-L720 PolarHBondContact O-N 3.34Å; A717-Q721 WeakPolarHBondContact O-CB 3.45Å; A717-Q721 PolarHBondContact O-N 3.04Å |
| 718 | Q | 61.8 | Low | 58.4 | Low | 170 Ų | 170 | 103.3 Ų | 103.3 | 79% | 0.794 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.3 | -39.1 | 173.8 | -64.8 | 177.5 | -8.2 | 0 | 0 | 112.8 | P716 Q721 A722 | P716-Q718 PolarHBondContact O-N 3.44Å; P716-Q718 VanDerWaalsContact O-N 3.1Å; Q718-Q721 PolarHBondContact O-N 3.02Å; Q718-A722 WeakPolarHBondContact O-CB 3.44Å; Q718-A722 PolarHBondContact O-N 2.88Å |
| 719 | L | 61.2 | Low | 57.4 | Low | 39 Ų | 39 | 105.6 Ų | 105.6 | 20% | 0.204 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -73.1 | -39.2 | 178.1 | -176.5 | 60.5 | 0 | 0 | 0 | 111.3 | M715 P716 A717 Q721 A722 M723 Y753 | M715-L719 HydrophobicContact CE-CD2 3.71Å; M715-L719 HydrophobicContact CE-CG 3.85Å; M715-L719 HydrophobicContact SD-CD2 3.56Å; M715-L719 VanDerWaalsContact SD-CD2 3.56Å; M715-L719 HydrophobicContact SD-CG 4.34Å; P716-L719 WeakPolarHBondContact O-CA 3.42Å; P716-L719 WeakPolarHBondContact O-CB 3.23Å; P716-L719 PolarHBondContact O-N 3.18Å; A717-L719 VanDerWaalsContact C-N 3.31Å; A717-L719 PolarHBondContact O-N 2.98Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 3.04Å; L719-A722 PolarHBondContact O-N 2.85Å; L719-M723 WeakPolarHBondContact O-CG 3.28Å; L719-M723 PolarHBondContact O-N 2.86Å; L719-Y753 HydrophobicContact CD1-CE2 3.82Å; L719-Y753 HydrophobicContact CD2-CE2 4.44Å; L719-Y753 WeakPolarHBondContact CD2-OH 3.42Å |
| 720 | L | 62.8 | Low | 55.8 | Low | 43 Ų | 43 | 107.3 Ų | 107.3 | 23% | 0.225 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -62 | -38.5 | 173.2 | -157.1 | 78.6 | 0 | 0 | 0 | 111.4 | P716 A717 M723 R724 | P716-L720 PolarHBondContact O-N 3.39Å; P716-L720 VanDerWaalsContact O-N 3.13Å; A717-L720 PolarHBondContact O-N 3.34Å; L720-M723 HydrophobicContact CD1-CE 3.86Å; L720-M723 PolarHBondContact O-N 2.68Å; L720-R724 PolarHBondContact O-N 2.78Å; L720-R724 VanDerWaalsContact O-N 3.13Å |
| 721 | Q | 62 | Low | 54.3 | Low | 127 Ų | 127 | 106 Ų | 106 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72 | -39.9 | 176.7 | -165.3 | 156.2 | -18.3 | 0 | 0 | 112.1 | A717 Q718 L719 M723 R724 I725 | A717-Q721 WeakPolarHBondContact O-CB 3.45Å; A717-Q721 PolarHBondContact O-N 3.04Å; Q718-Q721 PolarHBondContact O-N 3.02Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 3.04Å; Q721-M723 VanDerWaalsContact C-N 3.28Å; Q721-M723 PolarHBondContact O-N 3.4Å; Q721-R724 PolarHBondContact O-N 2.79Å; Q721-R724 VanDerWaalsContact O-N 3.15Å; Q721-I725 HydrophobicContact CG-CD1 4.32Å; Q721-I725 WeakPolarHBondContact O-CG1 3.3Å; Q721-I725 PolarHBondContact O-N 3.41Å; Q721-I725 VanDerWaalsContact O-N 3.08Å |
| 722 | A | 51.2 | Low | 53.4 | Low | 48 Ų | 48 | 108.9 Ų | 108.9 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -31.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q718 L719 N726 | Q718-A722 WeakPolarHBondContact O-CB 3.44Å; Q718-A722 PolarHBondContact O-N 2.88Å; L719-A722 PolarHBondContact O-N 2.85Å; A722-N726 PolarHBondContact O-ND2 3.41Å |
| 723 | M | 51.9 | Low | 52.2 | Low | 93 Ų | 93 | 110.8 Ų | 110.8 | 46% | 0.458 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.6 | -44.3 | 170.1 | -69.3 | -165.7 | -55.7 | 0 | 0 | 112.1 | M715 L719 L720 Q721 I725 N726 | M715-M723 HydrophobicContact CE-CE 3.35Å; M715-M723 HydrophobicContact CE-SD 3.78Å; L719-M723 WeakPolarHBondContact O-CG 3.28Å; L719-M723 PolarHBondContact O-N 2.86Å; L720-M723 HydrophobicContact CD1-CE 3.86Å; L720-M723 PolarHBondContact O-N 2.68Å; Q721-M723 VanDerWaalsContact C-N 3.28Å; Q721-M723 PolarHBondContact O-N 3.4Å; M723-I725 PolarHBondContact O-N 2.82Å; M723-N726 PolarHBondContact O-N 3.36Å; M723-N726 VanDerWaalsContact O-N 3.09Å |
| 724 | R | 50.5 | Low | 50.6 | Low | 186 Ų | 186 | 114.8 Ų | 114.8 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61 | -30.2 | 177.9 | -76.1 | -179.9 | 176.6 | 169.8 | 0.3 | 113.8 | L720 Q721 N726 | L720-R724 PolarHBondContact O-N 2.78Å; L720-R724 VanDerWaalsContact O-N 3.13Å; Q721-R724 PolarHBondContact O-N 2.79Å; Q721-R724 VanDerWaalsContact O-N 3.15Å; R724-N726 VanDerWaalsContact C-N 3.34Å |
| 725 | I | 54.9 | Low | 49.3 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 59% | 0.585 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.9 | -25.1 | 177.9 | -67 | 163.6 | 0 | 0 | 0 | 111.5 | Q721 M723 Q727 | Q721-I725 HydrophobicContact CG-CD1 4.32Å; Q721-I725 WeakPolarHBondContact O-CG1 3.3Å; Q721-I725 PolarHBondContact O-N 3.41Å; Q721-I725 VanDerWaalsContact O-N 3.08Å; M723-I725 PolarHBondContact O-N 2.82Å; I725-Q727 PolarHBondContact O-N 3.27Å |
| 726 | N | 43.6 | Very low | 48.6 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | trans | -90 | 67.7 | 178.3 | -90.3 | -68 | 0 | 0 | 0 | 113 | A722 M723 R724 L728 F729 | A722-N726 PolarHBondContact O-ND2 3.41Å; M723-N726 PolarHBondContact O-N 3.36Å; M723-N726 VanDerWaalsContact O-N 3.09Å; R724-N726 VanDerWaalsContact C-N 3.34Å; N726-L728 PolarHBondContact O-N 3.47Å; N726-F729 PolarHBondContact O-N 2.99Å | ||
| 727 | Q | 50.7 | Low | 47.1 | Very low | 162 Ų | 162 | 118.5 Ų | 118.5 | 76% | 0.757 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 10.7 | 175.6 | -65.7 | -78.9 | 36 | 0 | 0 | 115.4 | I725 | I725-Q727 PolarHBondContact O-N 3.27Š|
| 728 | L | 44.7 | Very low | 46.4 | Very low | 163 Ų | 163 | 122.3 Ų | 122.3 | 85% | 0.853 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -3.1 | 170.9 | -69.2 | 171.7 | 0 | 0 | 0 | 113 | N726 | N726-L728 PolarHBondContact O-N 3.47Š|
| 729 | F | 41.8 | Very low | 45.6 | Very low | 145 Ų | 145 | 121.3 Ų | 121.3 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -108.8 | 109.7 | 170 | -99.7 | -108.7 | 0 | 0 | 0 | 109.9 | N726 F749 | N726-F729 PolarHBondContact O-N 2.99Å; F729-F749 HydrophobicContact CE1-CE2 4.33Å |
| 730 | L | 36 | Very low | 44.9 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 77.2 | 141 | -171.6 | -48.1 | 165.9 | 0 | 0 | 0 | 114.1 | ||
| 731 | P | 37.1 | Very low | 43.9 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | cis | -117.2 | 135.2 | -7.6 | 36.8 | -22.7 | 0 | 0 | 0 | 113.8 | F734 | P731-F734 HydrophobicContact CB-CE2 4.09Å; P731-F734 HydrophobicContact CG-CE2 4.47Å | ||
| 732 | S | 35.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -146.5 | 36 | 165.1 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 733 | M | 35.2 | Very low | 43.9 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | -135.3 | 31.5 | -176 | -73 | -66.5 | -73.8 | 0 | 0 | 113.3 | G735 V736 | M733-G735 PolarHBondContact O-N 3.49Å; M733-G735 VanDerWaalsContact O-N 3.11Å; M733-V736 HydrophobicContact CE-CG2 3.7Å | ||
| 734 | F | 33.3 | Very low | 44 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 98.3 | 165.3 | -77.8 | -78.1 | 0 | 0 | 0 | 109.5 | P731 | P731-F734 HydrophobicContact CB-CE2 4.09Å; P731-F734 HydrophobicContact CG-CE2 4.47Å |
| 735 | G | 34.3 | Very low | 44.7 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.6 | 11.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | M733 | M733-G735 PolarHBondContact O-N 3.49Å; M733-G735 VanDerWaalsContact O-N 3.11Å |
| 736 | V | 41.9 | Very low | 45.2 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -136.8 | 141.4 | 179.9 | -137 | 0 | 0 | 0 | 0 | 111.6 | M733 L738 | M733-V736 HydrophobicContact CE-CG2 3.7Å; V736-L738 PolarHBondContact O-N 3.27Å |
| 737 | N | 35 | Very low | 46.4 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -61.5 | 130.8 | -177.3 | -89.2 | -90.1 | 0 | 0 | 0 | 112.2 | N739 | N737-N739 PolarHBondContact O-N 3.37Å; N737-N739 VanDerWaalsContact O-N 3.12Å | ||
| 738 | L | 48.8 | Very low | 47.3 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -66.8 | -10.8 | -177.5 | -102.8 | 65.3 | 0 | 0 | 0 | 114.9 | V736 I740 | V736-L738 PolarHBondContact O-N 3.27Å; L738-I740 PolarHBondContact O-N 3.12Å |
| 739 | N | 46.7 | Very low | 48.8 | Very low | 148 Ų | 148 | 121.2 Ų | 121.2 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -73.3 | 9.6 | -174.5 | -63.9 | -13.2 | 0 | 0 | 0 | 115 | N737 | N737-N739 PolarHBondContact O-N 3.37Å; N737-N739 VanDerWaalsContact O-N 3.12Å |
| 740 | I | 44.7 | Very low | 50.6 | Low | 137 Ų | 137 | 119.7 Ų | 119.7 | 70% | 0.703 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -133.5 | 47.1 | 178.9 | -36.7 | -179.7 | 0 | 0 | 0 | 111.3 | L738 Q742 | L738-I740 PolarHBondContact O-N 3.12Å; I740-Q742 PolarHBondContact O-N 3Å |
| 741 | F | 41.5 | Very low | 52.5 | Low | 164 Ų | 164 | 116.5 Ų | 116.5 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | trans | -74 | 76.5 | 164.5 | -151.4 | -89 | 0 | 0 | 0 | 109.9 | E743 A746 | F741-E743 PolarHBondContact O-N 2.88Å; F741-A746 HydrophobicContact CE1-CB 4.18Å | ||
| 742 | Q | 59.3 | Low | 54.5 | Low | 109 Ų | 109 | 117 Ų | 117 | 51% | 0.509 | 63% | 0.634 | S | S | . | * | trans | -61.6 | 134.3 | -169.6 | -163.1 | 170.8 | 25.8 | 0 | 0 | 111.4 | I740 Q744 T745 | I740-Q742 PolarHBondContact O-N 3Å; Q742-Q744 PolarHBondContact O-N 2.94Å; Q742-T745 WeakPolarHBondContact O-CB 3.28Å; Q742-T745 PolarHBondContact O-N 3.21Å; Q742-T745 PolarHBondContact O-OG1 2.93Å | ||
| 743 | E | 54.6 | Low | 56.7 | Low | 171 Ų | 171 | 115.1 Ų | 115.1 | 80% | 0.799 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -47.4 | -35.1 | -177.9 | -171.6 | -177.3 | 175.1 | 0 | 0 | 113.7 | F741 T745 A746 A747 | F741-E743 PolarHBondContact O-N 2.88Å; E743-T745 VanDerWaalsContact C-N 3.32Å; E743-T745 PolarHBondContact O-N 3.17Å; E743-A746 PolarHBondContact O-N 3.23Å; E743-A747 WeakPolarHBondContact O-CB 3.16Å; E743-A747 PolarHBondContact O-N 3.3Å |
| 744 | Q | 54.6 | Low | 58.8 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -32 | 177 | -61.9 | -175.4 | 15.7 | 0 | 0 | 113.5 | Q742 A748 | Q742-Q744 PolarHBondContact O-N 2.94Å; Q744-A748 VanDerWaalsContact O-CB 3.29Å; Q744-A748 WeakPolarHBondContact O-CB 3.36Å; Q744-A748 PolarHBondContact O-N 3.34Å |
| 745 | T | 64.9 | Low | 60.9 | Low | 75 Ų | 75 | 111.4 Ų | 111.4 | 46% | 0.46 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.3 | -42.3 | 179.3 | -46.2 | 0 | 0 | 0 | 0 | 111 | Q742 E743 A748 F749 | Q742-T745 WeakPolarHBondContact O-CB 3.28Å; Q742-T745 PolarHBondContact O-N 3.21Å; Q742-T745 PolarHBondContact O-OG1 2.93Å; E743-T745 VanDerWaalsContact C-N 3.32Å; E743-T745 PolarHBondContact O-N 3.17Å; T745-A748 PolarHBondContact O-N 3.22Å; T745-F749 PolarHBondContact O-N 3.4Å |
| 746 | A | 64.4 | Low | 62.8 | Low | 37 Ų | 37 | 113 Ų | 113 | 31% | 0.306 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.3 | -46 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F741 E743 A748 F749 L750 | F741-A746 HydrophobicContact CE1-CB 4.18Å; E743-A746 PolarHBondContact O-N 3.23Å; A746-A748 VanDerWaalsContact C-N 3.32Å; A746-A748 PolarHBondContact O-N 2.96Å; A746-F749 PolarHBondContact O-N 2.81Å; A746-L750 WeakPolarHBondContact O-CG 3.25Å; A746-L750 PolarHBondContact O-N 3.34Å |
| 747 | A | 69.4 | Low | 64.6 | Low | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -36.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E743 N751 | E743-A747 WeakPolarHBondContact O-CB 3.16Å; E743-A747 PolarHBondContact O-N 3.3Å; A747-N751 WeakPolarHBondContact O-CB 3.22Å; A747-N751 PolarHBondContact O-N 2.99Å |
| 748 | A | 70.2 | Confident | 66.5 | Low | 57 Ų | 57 | 110.6 Ų | 110.6 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q744 T745 A746 N751 H752 | Q744-A748 VanDerWaalsContact O-CB 3.29Å; Q744-A748 WeakPolarHBondContact O-CB 3.36Å; Q744-A748 PolarHBondContact O-N 3.34Å; T745-A748 PolarHBondContact O-N 3.22Å; A746-A748 VanDerWaalsContact C-N 3.32Å; A746-A748 PolarHBondContact O-N 2.96Å; A748-N751 PolarHBondContact O-N 3.19Å; A748-H752 WeakPolarHBondContact O-CB 3.32Å; A748-H752 PolarHBondContact O-N 3.16Å |
| 749 | F | 76.7 | Confident | 67.7 | Low | 121 Ų | 121 | 105.5 Ų | 105.5 | 53% | 0.531 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 176.8 | -172.1 | -95.2 | 0 | 0 | 0 | 111.8 | F729 T745 A746 N751 H752 Y753 | F729-F749 HydrophobicContact CE1-CE2 4.33Å; T745-F749 PolarHBondContact O-N 3.4Å; A746-F749 PolarHBondContact O-N 2.81Å; F749-N751 VanDerWaalsContact C-N 3.31Å; F749-N751 PolarHBondContact O-N 3.42Å; F749-H752 PolarHBondContact O-N 3.48Å; F749-H752 VanDerWaalsContact O-N 3.14Å; F749-Y753 WeakPolarHBondContact O-CB 3.42Å; F749-Y753 PolarHBondContact O-N 3.34Å |
| 750 | L | 79.2 | Confident | 68.8 | Low | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 176.6 | -71 | 171.1 | 0 | 0 | 0 | 112.6 | A746 R754 | A746-L750 WeakPolarHBondContact O-CG 3.25Å; A746-L750 PolarHBondContact O-N 3.34Å; L750-R754 WeakPolarHBondContact O-CB 3.45Å; L750-R754 PolarHBondContact O-N 3.17Å |
| 751 | N | 75.3 | Confident | 70 | Confident | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 174.7 | -170.3 | -0.8 | 0 | 0 | 0 | 111.7 | A747 A748 F749 R754 Q755 | A747-N751 WeakPolarHBondContact O-CB 3.22Å; A747-N751 PolarHBondContact O-N 2.99Å; A748-N751 PolarHBondContact O-N 3.19Å; F749-N751 VanDerWaalsContact C-N 3.31Å; F749-N751 PolarHBondContact O-N 3.42Å; N751-R754 PolarHBondContact O-N 3.01Å; N751-Q755 VanDerWaalsContact O-CG 3.28Å; N751-Q755 WeakPolarHBondContact O-CG 3.31Å; N751-Q755 PolarHBondContact O-N 3.36Å; N751-Q755 PolarHBondContact O-NE2 2.8Å; N751-Q755 PolarHBondContact OD1-NE2 3.02Å |
| 752 | H | 79.4 | Confident | 71.3 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.3 | -171.3 | 21.5 | 0 | 0 | 0 | 111.9 | A748 F749 Q755 M756 | A748-H752 WeakPolarHBondContact O-CB 3.32Å; A748-H752 PolarHBondContact O-N 3.16Å; F749-H752 PolarHBondContact O-N 3.48Å; F749-H752 VanDerWaalsContact O-N 3.14Å; H752-Q755 WeakPolarHBondContact O-CB 3.07Å; H752-Q755 PolarHBondContact O-N 2.73Å; H752-M756 PolarHBondContact O-N 3.01Å |
| 753 | Y | 80.6 | Confident | 71.6 | Confident | 79 Ų | 79 | 98.5 Ų | 98.5 | 31% | 0.31 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 174.3 | -177.9 | -115.2 | 0 | 0 | 0 | 111.9 | L719 F749 Q755 M756 L757 | L719-Y753 HydrophobicContact CD1-CE2 3.82Å; L719-Y753 HydrophobicContact CD2-CE2 4.44Å; L719-Y753 WeakPolarHBondContact CD2-OH 3.42Å; F749-Y753 WeakPolarHBondContact O-CB 3.42Å; F749-Y753 PolarHBondContact O-N 3.34Å; Y753-Q755 VanDerWaalsContact C-N 3.32Å; Y753-Q755 PolarHBondContact O-N 3.07Å; Y753-M756 WeakPolarHBondContact O-CB 3.15Å; Y753-M756 PolarHBondContact O-N 3.45Å; Y753-M756 VanDerWaalsContact O-N 3.1Å; Y753-L757 HydrophobicContact CD1-CD1 3.99Å; Y753-L757 HydrophobicContact CE1-CD1 3.52Å; Y753-L757 HydrophobicContact CE1-CG 4.26Å; Y753-L757 HydrophobicContact CE2-CD1 4.47Å; Y753-L757 HydrophobicContact CE2-CG 4.36Å; Y753-L757 PolarHBondContact O-N 3.49Å |
| 754 | R | 79.1 | Confident | 72.3 | Confident | 157 Ų | 157 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.2 | -40.2 | 172.5 | -177.7 | -178 | 174.4 | 107.2 | 2.7 | 112.6 | L750 N751 M756 M758 | L750-R754 WeakPolarHBondContact O-CB 3.45Å; L750-R754 PolarHBondContact O-N 3.17Å; N751-R754 PolarHBondContact O-N 3.01Å; R754-M756 VanDerWaalsContact C-N 3.35Å; R754-M758 WeakPolarHBondContact O-CG 3.34Å; R754-M758 PolarHBondContact O-N 3.26Å |
| 755 | Q | 77.8 | Confident | 73.1 | Confident | 112 Ų | 112 | 90.8 Ų | 90.8 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 174.7 | -73.2 | 168 | 49.7 | 0 | 0 | 111.7 | N751 H752 Y753 M758 A759 | N751-Q755 VanDerWaalsContact O-CG 3.28Å; N751-Q755 WeakPolarHBondContact O-CG 3.31Å; N751-Q755 PolarHBondContact O-N 3.36Å; N751-Q755 PolarHBondContact O-NE2 2.8Å; N751-Q755 PolarHBondContact OD1-NE2 3.02Å; H752-Q755 WeakPolarHBondContact O-CB 3.07Å; H752-Q755 PolarHBondContact O-N 2.73Å; Y753-Q755 VanDerWaalsContact C-N 3.32Å; Y753-Q755 PolarHBondContact O-N 3.07Å; Q755-M758 PolarHBondContact O-N 3.38Å; Q755-A759 WeakPolarHBondContact O-CB 3.48Å; Q755-A759 PolarHBondContact O-N 2.83Å |
| 756 | M | 73.7 | Confident | 73.5 | Confident | 110 Ų | 110 | 92 Ų | 92 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 176.2 | -154.2 | -164.8 | -46.8 | 0 | 0 | 111.4 | H752 Y753 R754 M758 A759 A760 | H752-M756 PolarHBondContact O-N 3.01Å; Y753-M756 WeakPolarHBondContact O-CB 3.15Å; Y753-M756 PolarHBondContact O-N 3.45Å; Y753-M756 VanDerWaalsContact O-N 3.1Å; R754-M756 VanDerWaalsContact C-N 3.35Å; M756-M758 PolarHBondContact O-N 3.14Å; M756-A759 PolarHBondContact O-N 2.91Å; M756-A760 PolarHBondContact O-N 2.84Å |
| 757 | L | 80.8 | Confident | 74 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 174.4 | -75.7 | 172.5 | 0 | 0 | 0 | 112.3 | Y753 A759 A760 H761 | Y753-L757 HydrophobicContact CD1-CD1 3.99Å; Y753-L757 HydrophobicContact CE1-CD1 3.52Å; Y753-L757 HydrophobicContact CE1-CG 4.26Å; Y753-L757 HydrophobicContact CE2-CD1 4.47Å; Y753-L757 HydrophobicContact CE2-CG 4.36Å; Y753-L757 PolarHBondContact O-N 3.49Å; L757-A759 VanDerWaalsContact C-N 3.34Å; L757-A759 PolarHBondContact O-N 2.99Å; L757-A760 PolarHBondContact O-N 3Å; L757-H761 PolarHBondContact O-CD2 3.2Å; L757-H761 PolarHBondContact O-N 3.33Å |
| 758 | M | 75.8 | Confident | 74 | Confident | 104 Ų | 104 | 93.7 Ų | 93.7 | 51% | 0.512 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.7 | -30 | 176.6 | -72.6 | -166.4 | 161.7 | 0 | 0 | 113 | R754 Q755 M756 L762 | R754-M758 WeakPolarHBondContact O-CG 3.34Å; R754-M758 PolarHBondContact O-N 3.26Å; Q755-M758 PolarHBondContact O-N 3.38Å; M756-M758 PolarHBondContact O-N 3.14Å; M758-L762 WeakPolarHBondContact O-CB 3.4Å; M758-L762 WeakPolarHBondContact O-CD1 3.25Å; M758-L762 VanDerWaalsContact O-CG 3.31Å; M758-L762 WeakPolarHBondContact O-CG 3.42Å; M758-L762 PolarHBondContact O-N 3.41Å |
| 759 | A | 72 | Confident | 74.3 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -41.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q755 M756 L757 L762 Q763 | Q755-A759 WeakPolarHBondContact O-CB 3.48Å; Q755-A759 PolarHBondContact O-N 2.83Å; M756-A759 PolarHBondContact O-N 2.91Å; L757-A759 VanDerWaalsContact C-N 3.34Å; L757-A759 PolarHBondContact O-N 2.99Å; A759-L762 CarbonylContact O-C 3.12Å; A759-L762 PolarHBondContact O-N 3.16Å; A759-Q763 WeakPolarHBondContact O-CG 3.26Å; A759-Q763 PolarHBondContact O-N 3.31Å |
| 760 | A | 70.7 | Confident | 74.3 | Confident | 52 Ų | 52 | 97.6 Ų | 97.6 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M756 L757 L762 Q763 N764 | M756-A760 PolarHBondContact O-N 2.84Å; L757-A760 PolarHBondContact O-N 3Å; A760-L762 VanDerWaalsContact C-N 3.32Å; A760-L762 PolarHBondContact O-N 3.25Å; A760-Q763 PolarHBondContact O-N 3.38Å; A760-Q763 VanDerWaalsContact O-N 3.11Å; A760-N764 PolarHBondContact O-N 2.97Å |
| 761 | H | 70.6 | Confident | 74.1 | Confident | 98 Ų | 98 | 96 Ų | 96 | 45% | 0.454 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 170.6 | -94.2 | -81.6 | 0 | 0 | 0 | 112.2 | L757 Q763 N764 F767 | L757-H761 PolarHBondContact O-CD2 3.2Å; L757-H761 PolarHBondContact O-N 3.33Å; H761-Q763 PolarHBondContact O-N 3.43Å; H761-N764 PolarHBondContact O-N 3.4Å; H761-N764 VanDerWaalsContact O-N 3.15Å; H761-F767 HydrophobicContact CB-CD1 3.74Å; H761-F767 HydrophobicContact CB-CD2 4.36Å; H761-F767 HydrophobicContact CB-CE1 3.86Å; H761-F767 HydrophobicContact CB-CE2 4.45Å; H761-F767 HydrophobicContact CB-CG 4Å; H761-F767 HydrophobicContact CB-CZ 4.21Å; H761-F767 AromaticContact ND1-CD2 3.26Å; H761-F767 VanDerWaalsContact ND1-CD2 3.26Å; H761-F767 WeakPolarHBondContact ND1-CD2 3.44Å; H761-F767 AromaticContact ND1-CE2 3.66Å; H761-F767 AromaticContact ND1-CG 3.53Å; H761-F767 WeakPolarHBondContact O-CB 3.42Å; H761-F767 WeakPolarHBondContact O-CD1 3.25Å |
| 762 | L | 67.3 | Low | 74 | Confident | 96 Ų | 96 | 94.8 Ų | 94.8 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69 | -15.2 | 176.2 | -80.7 | 165.4 | 0 | 0 | 0 | 114.5 | M758 A759 A760 T768 L771 | M758-L762 WeakPolarHBondContact O-CB 3.4Å; M758-L762 WeakPolarHBondContact O-CD1 3.25Å; M758-L762 VanDerWaalsContact O-CG 3.31Å; M758-L762 WeakPolarHBondContact O-CG 3.42Å; M758-L762 PolarHBondContact O-N 3.41Å; A759-L762 CarbonylContact O-C 3.12Å; A759-L762 PolarHBondContact O-N 3.16Å; A760-L762 VanDerWaalsContact C-N 3.32Å; A760-L762 PolarHBondContact O-N 3.25Å; L762-T768 HydrophobicContact CD2-CG2 4.38Å; L762-T768 WeakPolarHBondContact O-CG2 3.35Å; L762-L771 HydrophobicContact CD2-CD2 3.77Å |
| 763 | Q | 67.4 | Low | 73.6 | Confident | 164 Ų | 164 | 92.1 Ų | 92.1 | 77% | 0.766 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -88.5 | -19.8 | 171.5 | -73.2 | 173.7 | -26 | 0 | 0 | 112.6 | A759 A760 H761 | A759-Q763 WeakPolarHBondContact O-CG 3.26Å; A759-Q763 PolarHBondContact O-N 3.31Å; A760-Q763 PolarHBondContact O-N 3.38Å; A760-Q763 VanDerWaalsContact O-N 3.11Å; H761-Q763 PolarHBondContact O-N 3.43Å |
| 764 | N | 68 | Low | 73 | Confident | 73 Ų | 73 | 90.7 Ų | 90.7 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | trans | -76.3 | 125.2 | 180 | -169.4 | -56.2 | 0 | 0 | 0 | 110.5 | A760 H761 I766 F767 T768 | A760-N764 PolarHBondContact O-N 2.97Å; H761-N764 PolarHBondContact O-N 3.4Å; H761-N764 VanDerWaalsContact O-N 3.15Å; N764-I766 VanDerWaalsContact C-N 3.3Å; N764-I766 PolarHBondContact O-N 3.04Å; N764-I766 WeakPolarHBondContact OD1-CB 3.42Å; N764-I766 PolarHBondContact OD1-N 3.38Å; N764-F767 HydrophobicContact CB-CB 4.29Å; N764-F767 PolarHBondContact O-N 3.41Å; N764-T768 PolarHBondContact O-N 2.82Å; N764-T768 PolarHBondContact O-OG1 2.72Å | ||
| 765 | P | 72 | Confident | 72.4 | Confident | 80 Ų | 80 | 86 Ų | 86 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -32.2 | -175.6 | 25.3 | -34.1 | 0 | 0 | 0 | 112.7 | T768 Q769 | P765-T768 WeakPolarHBondContact CA-OG1 3.09Å; P765-T768 PolarHBondContact O-OG1 2.92Å; P765-Q769 WeakPolarHBondContact O-CB 3.33Å; P765-Q769 VanDerWaalsContact O-CG 3.27Å; P765-Q769 WeakPolarHBondContact O-CG 3.45Å; P765-Q769 PolarHBondContact O-N 2.89Å |
| 766 | I | 73.9 | Confident | 71.5 | Confident | 100 Ų | 100 | 83.1 Ų | 83.1 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 178.8 | -58.1 | 174.9 | 0 | 0 | 0 | 109.7 | N764 Q769 L770 | N764-I766 VanDerWaalsContact C-N 3.3Å; N764-I766 PolarHBondContact O-N 3.04Å; N764-I766 WeakPolarHBondContact OD1-CB 3.42Å; N764-I766 PolarHBondContact OD1-N 3.38Å; I766-Q769 PolarHBondContact O-N 3.03Å; I766-L770 WeakPolarHBondContact O-CB 3.27Å; I766-L770 PolarHBondContact O-N 3.1Å |
| 767 | F | 73.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 83.6 Ų | 83.6 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -34.1 | 179.2 | -176.2 | -90.7 | 0 | 0 | 0 | 112.7 | H761 N764 L770 L771 | H761-F767 HydrophobicContact CB-CD1 3.74Å; H761-F767 HydrophobicContact CB-CD2 4.36Å; H761-F767 HydrophobicContact CB-CE1 3.86Å; H761-F767 HydrophobicContact CB-CE2 4.45Å; H761-F767 HydrophobicContact CB-CG 4Å; H761-F767 HydrophobicContact CB-CZ 4.21Å; H761-F767 AromaticContact ND1-CD2 3.26Å; H761-F767 VanDerWaalsContact ND1-CD2 3.26Å; H761-F767 WeakPolarHBondContact ND1-CD2 3.44Å; H761-F767 AromaticContact ND1-CE2 3.66Å; H761-F767 AromaticContact ND1-CG 3.53Å; H761-F767 WeakPolarHBondContact O-CB 3.42Å; H761-F767 WeakPolarHBondContact O-CD1 3.25Å; N764-F767 HydrophobicContact CB-CB 4.29Å; N764-F767 PolarHBondContact O-N 3.41Å; F767-L770 PolarHBondContact O-N 2.97Å; F767-L771 HydrophobicContact CE1-CB 4.5Å; F767-L771 HydrophobicContact CE1-CD2 4.28Å; F767-L771 WeakPolarHBondContact O-CB 3.34Å; F767-L771 PolarHBondContact O-N 3.14Å |
| 768 | T | 71.2 | Confident | 69.2 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -34.3 | 172.5 | 37.8 | 0 | 0 | 0 | 0 | 112.6 | L762 N764 P765 A772 | L762-T768 HydrophobicContact CD2-CG2 4.38Å; L762-T768 WeakPolarHBondContact O-CG2 3.35Å; N764-T768 PolarHBondContact O-N 2.82Å; N764-T768 PolarHBondContact O-OG1 2.72Å; P765-T768 WeakPolarHBondContact CA-OG1 3.09Å; P765-T768 PolarHBondContact O-OG1 2.92Å; T768-A772 VanDerWaalsContact O-CB 3.24Å; T768-A772 WeakPolarHBondContact O-CB 3.4Å; T768-A772 PolarHBondContact O-N 3.36Å |
| 769 | Q | 75.1 | Confident | 67.5 | Low | 142 Ų | 142 | 82.6 Ų | 82.6 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 167.7 | -74.1 | 177.3 | 45.4 | 0 | 0 | 111.9 | P765 I766 L771 A772 A773 | P765-Q769 WeakPolarHBondContact O-CB 3.33Å; P765-Q769 VanDerWaalsContact O-CG 3.27Å; P765-Q769 WeakPolarHBondContact O-CG 3.45Å; P765-Q769 PolarHBondContact O-N 2.89Å; I766-Q769 PolarHBondContact O-N 3.03Å; Q769-L771 VanDerWaalsContact C-N 3.35Å; Q769-L771 PolarHBondContact O-N 3.14Å; Q769-A772 PolarHBondContact O-N 3.36Å; Q769-A773 WeakPolarHBondContact O-CB 3.23Å; Q769-A773 PolarHBondContact O-N 3.18Å |
| 770 | L | 77 | Confident | 65.8 | Low | 117 Ų | 117 | 85.1 Ų | 85.1 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 177.4 | -131.3 | 82 | 0 | 0 | 0 | 112.1 | I766 F767 A773 A774 | I766-L770 WeakPolarHBondContact O-CB 3.27Å; I766-L770 PolarHBondContact O-N 3.1Å; F767-L770 PolarHBondContact O-N 2.97Å; L770-A773 PolarHBondContact O-N 2.81Å; L770-A774 WeakPolarHBondContact O-CB 2.93Å; L770-A774 PolarHBondContact O-N 3.1Å |
| 771 | L | 76.4 | Confident | 64.1 | Low | 82 Ų | 82 | 88.3 Ų | 88.3 | 43% | 0.429 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -36.4 | 177 | -174.5 | 63.6 | 0 | 0 | 0 | 111.7 | L762 F767 Q769 A775 | L762-L771 HydrophobicContact CD2-CD2 3.77Å; F767-L771 HydrophobicContact CE1-CB 4.5Å; F767-L771 HydrophobicContact CE1-CD2 4.28Å; F767-L771 WeakPolarHBondContact O-CB 3.34Å; F767-L771 PolarHBondContact O-N 3.14Å; Q769-L771 VanDerWaalsContact C-N 3.35Å; Q769-L771 PolarHBondContact O-N 3.14Å; L771-A775 VanDerWaalsContact O-CB 3.32Å; L771-A775 WeakPolarHBondContact O-CB 3.26Å; L771-A775 PolarHBondContact O-N 2.83Å |
| 772 | A | 71.8 | Confident | 62.6 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T768 Q769 A775 A776 | T768-A772 VanDerWaalsContact O-CB 3.24Å; T768-A772 WeakPolarHBondContact O-CB 3.4Å; T768-A772 PolarHBondContact O-N 3.36Å; Q769-A772 PolarHBondContact O-N 3.36Å; A772-A775 PolarHBondContact O-N 3.41Å; A772-A776 WeakPolarHBondContact O-CB 3.49Å; A772-A776 PolarHBondContact O-N 3.22Å |
| 773 | A | 71 | Confident | 61.1 | Low | 53 Ų | 53 | 92 Ų | 92 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.6 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q769 L770 A775 A776 T777 | Q769-A773 WeakPolarHBondContact O-CB 3.23Å; Q769-A773 PolarHBondContact O-N 3.18Å; L770-A773 PolarHBondContact O-N 2.81Å; A773-A775 VanDerWaalsContact C-N 3.32Å; A773-A775 PolarHBondContact O-N 2.83Å; A773-A776 WeakPolarHBondContact O-CB 3.16Å; A773-A776 PolarHBondContact O-N 2.81Å; A773-A776 VanDerWaalsContact O-N 3.12Å; A773-T777 WeakPolarHBondContact O-CG2 3.45Å; A773-T777 PolarHBondContact O-N 3.12Å; A773-T777 PolarHBondContact O-OG1 2.59Å |
| 774 | A | 69.1 | Low | 59.5 | Low | 49 Ų | 49 | 94.7 Ų | 94.7 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -35.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L770 T777 S778 | L770-A774 WeakPolarHBondContact O-CB 2.93Å; L770-A774 PolarHBondContact O-N 3.1Å; A774-T777 WeakPolarHBondContact CA-OG1 3.24Å; A774-T777 PolarHBondContact O-OG1 3.21Å; A774-S778 WeakPolarHBondContact O-CB 3.41Å; A774-S778 PolarHBondContact O-N 3.26Å; A774-S778 VanDerWaalsContact O-N 3.08Å; A774-S778 PolarHBondContact O-OG 3.34Å |
| 775 | A | 66.2 | Low | 58.1 | Low | 58 Ų | 58 | 99.7 Ų | 99.7 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70 | -35.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L771 A772 A773 G779 | L771-A775 VanDerWaalsContact O-CB 3.32Å; L771-A775 WeakPolarHBondContact O-CB 3.26Å; L771-A775 PolarHBondContact O-N 2.83Å; A772-A775 PolarHBondContact O-N 3.41Å; A773-A775 VanDerWaalsContact C-N 3.32Å; A773-A775 PolarHBondContact O-N 2.83Å; A775-G779 WeakPolarHBondContact O-CA 3.42Å; A775-G779 PolarHBondContact O-N 2.9Å |
| 776 | A | 57.5 | Low | 56.4 | Low | 52 Ų | 52 | 100.5 Ų | 100.5 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.1 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A772 A773 S780 | A772-A776 WeakPolarHBondContact O-CB 3.49Å; A772-A776 PolarHBondContact O-N 3.22Å; A773-A776 WeakPolarHBondContact O-CB 3.16Å; A773-A776 PolarHBondContact O-N 2.81Å; A773-A776 VanDerWaalsContact O-N 3.12Å; A776-S780 VanDerWaalsContact O-CB 3.27Å; A776-S780 WeakPolarHBondContact O-CB 3.14Å; A776-S780 PolarHBondContact O-N 2.86Å; A776-S780 PolarHBondContact O-OG 3.06Å |
| 777 | T | 57.2 | Low | 54.6 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.4 | -31.6 | 177.1 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | A773 A774 | A773-T777 WeakPolarHBondContact O-CG2 3.45Å; A773-T777 PolarHBondContact O-N 3.12Å; A773-T777 PolarHBondContact O-OG1 2.59Å; A774-T777 WeakPolarHBondContact CA-OG1 3.24Å; A774-T777 PolarHBondContact O-OG1 3.21Å |
| 778 | S | 49.9 | Very low | 52.7 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -86.1 | -13.9 | 174.5 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | A774 | A774-S778 WeakPolarHBondContact O-CB 3.41Å; A774-S778 PolarHBondContact O-N 3.26Å; A774-S778 VanDerWaalsContact O-N 3.08Å; A774-S778 PolarHBondContact O-OG 3.34Å |
| 779 | G | 41 | Very low | 50.9 | Low | 60 Ų | 60 | 112.5 Ų | 112.5 | 62% | 0.619 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -102 | -12.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A775 S781 | A775-G779 WeakPolarHBondContact O-CA 3.42Å; A775-G779 PolarHBondContact O-N 2.9Å; G779-S781 PolarHBondContact O-N 2.86Å |
| 780 | S | 36.4 | Very low | 48.9 | Very low | 102 Ų | 102 | 109 Ų | 109 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -90.1 | 82.5 | -166.6 | -67.4 | 0 | 0 | 0 | 0 | 114.8 | A776 | A776-S780 VanDerWaalsContact O-CB 3.27Å; A776-S780 WeakPolarHBondContact O-CB 3.14Å; A776-S780 PolarHBondContact O-N 2.86Å; A776-S780 PolarHBondContact O-OG 3.06Å | ||
| 781 | S | 33.9 | Very low | 47.2 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | trans | -144.2 | 49.2 | 162.6 | -176.1 | 0 | 0 | 0 | 0 | 113.6 | G779 | G779-S781 PolarHBondContact O-N 2.86Š| ||
| 782 | S | 38.4 | Very low | 45.2 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -139.5 | 121.5 | 156.9 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 783 | N | 36.3 | Very low | 43.6 | Very low | 155 Ų | 155 | 123.2 Ų | 123.2 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -74.1 | 142.5 | -170.7 | -83.7 | -4.7 | 0 | 0 | 0 | 112.4 | ||||
| 784 | R | 33.4 | Very low | 41.7 | Very low | 220 Ų | 220 | 125.5 Ų | 125.5 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -65.6 | 156.2 | 163.2 | -57.9 | 175 | -177.8 | 169.6 | 0 | 109.8 | ||||
| 785 | H | 39.8 | Very low | 40.2 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -137.5 | 138.6 | 138.2 | -109 | -77.8 | 0 | 0 | 0 | 110.3 | ||||
| 786 | D | 35.7 | Very low | 39 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 52% | 0.519 | 75% | 0.748 | S | S | . | * | trans | -75.6 | 157.2 | -179.5 | -104.3 | -104.7 | 0 | 0 | 0 | 112.4 | ||||
| 787 | R | 35.7 | Very low | 38.1 | Very low | 219 Ų | 219 | 134.7 Ų | 134.7 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | 54.7 | 123.9 | 148.6 | -59.9 | 158.6 | -147 | -171.2 | 5.8 | 118.6 | ||||
| 788 | N | 33.5 | Very low | 37.2 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | -161.5 | 175.1 | 88.9 | -147.5 | -10.4 | 0 | 0 | 0 | 111.8 | |||||
| 789 | A | 34.1 | Very low | 36.7 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -88.2 | 163.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 790 | G | 33.1 | Very low | 36.6 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 129.3 | 98.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 791 | Q | 40.9 | Very low | 36.7 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -156 | 108 | 146.7 | -117.3 | 160.7 | 24.2 | 0 | 0 | 113.8 | ||||
| 792 | H | 33.6 | Very low | 36.9 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 35.6 | 114.6 | 147.6 | -63 | -106.3 | 0 | 0 | 0 | 120.8 | ||||
| 793 | H | 38 | Very low | 36.9 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | -162.8 | 172.3 | 99 | 48.6 | -77.8 | 0 | 0 | 0 | 112 | |||||
| 794 | S | 31.5 | Very low | 37 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -87.8 | 151.6 | -165 | 173.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 795 | T | 38.8 | Very low | 37.4 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | 161.5 | 118.9 | 106.8 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 796 | T | 40 | Very low | 37.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | 39 | 118.9 | 158.4 | 62.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 797 | D | 38.3 | Very low | 38.1 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | 74.1 | 140.5 | 119.1 | -52.1 | -16.8 | 0 | 0 | 0 | 124.8 | |||||
| 798 | N | 38 | Very low | 38.4 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 80 | 141.7 | 150.4 | -61.7 | -28.5 | 0 | 0 | 0 | 121.1 | ||||
| 799 | I | 40.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | cis | -162 | 138.4 | -23.6 | -117.6 | 171.5 | 0 | 0 | 0 | 110 | ||||
| 800 | H | 39 | Very low | 39.4 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | 44 | 127.6 | 155.5 | -63.8 | 62.3 | 0 | 0 | 0 | 125 | ||||
| 801 | G | 38.2 | Very low | 39.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 105.5 | 158.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 802 | R | 38.3 | Very low | 39.5 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | cis | -169.8 | 124 | -10.1 | 174.7 | -177.8 | 173 | 137.9 | 19.3 | 112.1 | ||||
| 803 | E | 39 | Very low | 39.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 55% | 0.547 | 71% | 0.707 | S | S | . | * | trans | 64 | 166.5 | 156.2 | -67.2 | 171.5 | 176.3 | 0 | 0 | 118.9 | ||||
| 804 | R | 38.5 | Very low | 40 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | cis | -155.1 | 162.2 | -7.6 | -132.9 | 178.7 | -79.4 | -166.8 | -1.4 | 112.5 | ||||
| 805 | G | 40.6 | Very low | 40.2 | Very low | 61 Ų | 61 | 139 Ų | 139 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | 89 | 146.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 806 | E | 43.8 | Very low | 40.1 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | cis | -158.8 | 132.3 | -17.3 | -147.1 | 132.5 | 119.1 | 0 | 0 | 112.3 | ||||
| 807 | Q | 47.7 | Very low | 40.1 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | trans | 51.5 | 139.6 | 151.9 | -61.9 | -166.9 | -76.7 | 0 | 0 | 123.8 | ||||
| 808 | D | 41.7 | Very low | 40.3 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -175.4 | 163.3 | -15.3 | -104.6 | -13.6 | 0 | 0 | 0 | 107.9 | ||||
| 809 | D | 43.1 | Very low | 40.5 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 52% | 0.524 | 72% | 0.721 | S | S | . | * | cis | -167.6 | -37.4 | -31.1 | 156.2 | 95.5 | 0 | 0 | 0 | 107.9 | S811 | D809-S811 PolarHBondContact OD2-OG 2.79Š| ||
| 810 | I | 45.8 | Very low | 40.5 | Very low | 168 Ų | 168 | 145 Ų | 145 | 86% | 0.862 | 73% | 0.727 | S | S | * | * | trans | -63.5 | 134.1 | -156.4 | -65 | 170.7 | 0 | 0 | 0 | 112.7 | ||||
| 811 | S | 38.4 | Very low | 40.9 | Very low | 79 Ų | 79 | 142 Ų | 142 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | cis | -168.3 | 122.3 | -32.1 | -121.1 | 0 | 0 | 0 | 0 | 105.8 | D809 | D809-S811 PolarHBondContact OD2-OG 2.79Š| ||
| 812 | R | 36.9 | Very low | 40.8 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 73% | 0.725 | 72% | 0.721 | S | S | * | * | 79.8 | 107.2 | 67.3 | -164.9 | 179.2 | -164.4 | 168.5 | 9.2 | 115.3 | |||||
| 813 | S | 38.4 | Very low | 40.6 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | -48.4 | 153.6 | 172.7 | -26.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 814 | K | 42.8 | Very low | 40.7 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -131 | 133.3 | 133.6 | -71.6 | 95.3 | 177.2 | -178.1 | 0 | 107.5 | ||||
| 815 | R | 36.4 | Very low | 40.8 | Very low | 217 Ų | 217 | 137.7 Ų | 137.7 | 82% | 0.819 | 73% | 0.731 | S | S | * | * | cis | 77.1 | 154.7 | 36.6 | -66.6 | -175.7 | 162.8 | -173.3 | -4.6 | 114.7 | ||||
| 816 | T | 36.5 | Very low | 40.8 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | 110.9 | 141.5 | 153 | 73.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 817 | R | 40 | Very low | 40.6 | Very low | 222 Ų | 222 | 141.5 Ų | 141.5 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | cis | -168.6 | 177.5 | -9.7 | -115.3 | 170.2 | -178.4 | 179 | -1.6 | 111.8 | ||||
| 818 | K | 42.8 | Very low | 40.2 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | 84.2 | 141.9 | 166.7 | -53.8 | 172.5 | -176.1 | 172.8 | 0 | 114.4 | ||||
| 819 | S | 42.5 | Very low | 40.4 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -167.5 | 137.6 | -15.3 | 39.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 820 | S | 39.8 | Very low | 40.6 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | 66 | 143.4 | 57.5 | -51.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 821 | P | 47.5 | Very low | 40.6 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -148.6 | -179.7 | -32.1 | 40.9 | -21.9 | 0 | 0 | 0 | 116.6 | ||||
| 822 | N | 35.7 | Very low | 41 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 82.9 | 121.2 | 138.6 | -126 | 34.5 | 0 | 0 | 0 | 125.5 | ||||
| 823 | V | 35.3 | Very low | 41.5 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | 53.8 | 117.2 | 129.9 | 170.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 824 | T | 40.5 | Very low | 41.5 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | -170.2 | 133.1 | 117 | 30.2 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 825 | S | 40 | Very low | 41.3 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | 93.5 | 147.8 | 42.3 | -161.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 826 | I | 40.8 | Very low | 41.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 77.6 | 98.3 | 177 | -55.3 | 173 | 0 | 0 | 0 | 113.5 | ||||
| 827 | Q | 41.2 | Very low | 41.4 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 88.6 | 110.5 | 83.5 | -77.1 | 175.6 | -91.2 | 0 | 0 | 115.6 | |||||
| 828 | T | 37.6 | Very low | 41.2 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | 60.4 | 176.3 | 135.8 | 58.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 829 | D | 46.3 | Very low | 41.2 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -147.2 | 145.3 | 12.7 | -63.4 | -95.8 | 0 | 0 | 0 | 113.7 | ||||
| 830 | D | 47.5 | Very low | 41.1 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 62.4 | 173.7 | 139.8 | -76.8 | -32.2 | 0 | 0 | 0 | 127.3 | ||||
| 831 | D | 46 | Very low | 41.2 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 86.2 | 70.7 | 163.2 | -68.2 | -24.9 | 0 | 0 | 0 | 123.9 | ||||
| 832 | T | 47.1 | Very low | 41.3 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -50.8 | -172.3 | 138.2 | 42 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 833 | P | 46.7 | Very low | 42.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -142.9 | -167.5 | -41.9 | 35.5 | -13 | 0 | 0 | 0 | 116.4 | ||||
| 834 | V | 38.4 | Very low | 42.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | 75.1 | 130.8 | 155.1 | -136 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 835 | G | 39 | Very low | 42.4 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 125.1 | 149.1 | 131.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 836 | F | 36.3 | Very low | 42.6 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | cis | -167.8 | 151.5 | -21.6 | -152.9 | -123 | 0 | 0 | 0 | 109.1 | ||||
| 837 | Q | 38 | Very low | 43.1 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 48.8 | 114.6 | 165.5 | -74.4 | 169.9 | -24.6 | 0 | 0 | 119.4 | ||||
| 838 | A | 35.9 | Very low | 43.1 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | 90.5 | 160.4 | 63.7 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 839 | V | 42.5 | Very low | 43.5 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | 91.2 | 124.9 | 167.4 | -41 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 840 | N | 40 | Very low | 43.3 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 74.6 | 105.3 | 147.1 | -59.5 | 13.3 | 0 | 0 | 0 | 123 | ||||
| 841 | D | 42.8 | Very low | 43.6 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | 65.6 | 140.7 | 107.5 | -48.5 | -32.3 | 0 | 0 | 0 | 123.8 | |||||
| 842 | E | 49.6 | Very low | 43.4 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | 54.8 | 106.8 | 149 | -66.7 | 174.4 | 170.5 | 0 | 0 | 120.6 | ||||
| 843 | E | 52.4 | Low | 43.5 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | -176.5 | 139.8 | 94 | -96.8 | -153.4 | 86.8 | 0 | 0 | 114.5 | |||||
| 844 | N | 40.4 | Very low | 43.4 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 26.9 | 123.7 | 138.9 | -59.3 | -40 | 0 | 0 | 0 | 121.5 | ||||
| 845 | G | 42.8 | Very low | 43.9 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -159.2 | 60.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 846 | D | 42.8 | Very low | 44.2 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -67.3 | 128.6 | 177.6 | 177.8 | 17.7 | 0 | 0 | 0 | 111.7 | S848 | D846-S848 PolarHBondContact OD1-N 2.83Å; D846-S848 PolarHBondContact OD1-OG 2.93Å | ||
| 847 | Y | 51.6 | Low | 44.7 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -146.6 | 106.1 | 153 | -154.1 | -99.1 | 0 | 0 | 0 | 110.3 | ||||
| 848 | S | 40.5 | Very low | 44.8 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | -93.9 | 116.6 | 174.2 | 24 | 0 | 0 | 0 | 0 | 109.7 | D846 | D846-S848 PolarHBondContact OD1-N 2.83Å; D846-S848 PolarHBondContact OD1-OG 2.93Å | ||
| 849 | D | 46.2 | Very low | 44.7 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | trans | -108 | 92.7 | 163.3 | -100.7 | -37.4 | 0 | 0 | 0 | 108.1 | ||||
| 850 | T | 42.6 | Very low | 44.7 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 59% | 0.589 | 77% | 0.768 | S | S | * | * | trans | -73.2 | 123.7 | 162 | -47.3 | 0 | 0 | 0 | 0 | 107.5 | D852 | T850-D852 WeakPolarHBondContact CG2-OD1 3.35Å; T850-D852 WeakPolarHBondContact CG2-OD2 3.5Å | ||
| 851 | M | 53.7 | Low | 44.5 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -118.4 | 88.6 | 162.3 | -74 | -74.6 | 156.5 | 0 | 0 | 106.5 | ||||
| 852 | D | 43 | Very low | 44.1 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -62.3 | 139.9 | 160.6 | -43.8 | -79.8 | 0 | 0 | 0 | 108.2 | T850 | T850-D852 WeakPolarHBondContact CG2-OD1 3.35Å; T850-D852 WeakPolarHBondContact CG2-OD2 3.5Å | ||
| 853 | D | 49.4 | Very low | 43.4 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -151.5 | 78.8 | 160.7 | -96.9 | -33.3 | 0 | 0 | 0 | 104.7 | ||||
| 854 | D | 42.6 | Very low | 42.4 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 143.4 | 165.4 | -58 | -67.8 | 0 | 0 | 0 | 109.2 | ||||
| 855 | D | 50.3 | Low | 42.3 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -159.9 | 73.7 | 159.2 | -103.7 | -23 | 0 | 0 | 0 | 107.5 | ||||
| 856 | D | 44.1 | Very low | 41.9 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 122.4 | 153.2 | -73.4 | -58 | 0 | 0 | 0 | 107.5 | ||||
| 857 | D | 46.9 | Very low | 41.9 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 149.7 | 151.2 | -149.6 | -7.1 | 0 | 0 | 0 | 112 | ||||
| 858 | D | 40.3 | Very low | 41.4 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -83.5 | 177.5 | -161.6 | -82.3 | -52.7 | 0 | 0 | 0 | 113.9 | ||||
| 859 | G | 34.9 | Very low | 40.9 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -73.6 | 150.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 860 | A | 42.1 | Very low | 40.6 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -121.2 | 144.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 861 | E | 35.8 | Very low | 40.2 | Very low | 207 Ų | 207 | 140 Ų | 140 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | trans | -84.2 | 165.2 | -176.1 | -59.3 | -170.3 | 145 | 0 | 0 | 113.4 | ||||
| 862 | G | 34.8 | Very low | 39.6 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 169.7 | 108.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 863 | G | 34.3 | Very low | 39.3 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | cis | 110.9 | 105.5 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 864 | G | 31.3 | Very low | 38.5 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 81.9 | 154.6 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 865 | E | 38.9 | Very low | 38.4 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | cis | -124.8 | 152.1 | 2.5 | -71.1 | 171.9 | 163.9 | 0 | 0 | 110.6 | ||||
| 866 | E | 33.8 | Very low | 38 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -89.3 | 100.6 | 179 | -64.1 | 175 | 177.4 | 0 | 0 | 108.8 | ||||
| 867 | E | 42.6 | Very low | 38.1 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -89.9 | 132.7 | 165 | -74.6 | -164.6 | 147.4 | 0 | 0 | 110.3 | ||||
| 868 | E | 41 | Very low | 38.6 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -75.3 | 140.6 | -163.3 | -58.8 | -176 | 136 | 0 | 0 | 112.3 | E870 | E868-E870 VanDerWaalsContact C-N 3.31Å; E868-E870 PolarHBondContact O-N 2.99Å | ||
| 869 | G | 30.7 | Very low | 39.2 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -73 | 78.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S871 | G869-S871 PolarHBondContact O-N 2.98Å; G869-S871 PolarHBondContact O-OG 3.08Å; G869-S871 VanDerWaalsContact O-OG 3.08Å | ||
| 870 | E | 39.7 | Very low | 40.1 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -59 | 108.5 | 176.9 | 58.8 | 177.4 | 164.8 | 0 | 0 | 111.2 | E868 L872 | E868-E870 VanDerWaalsContact C-N 3.31Å; E868-E870 PolarHBondContact O-N 2.99Å; E870-L872 PolarHBondContact O-N 2.99Å; E870-L872 VanDerWaalsContact O-N 3.1Å | ||
| 871 | S | 33.9 | Very low | 40.8 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -87.8 | 84.2 | -167.7 | -64.7 | 0 | 0 | 0 | 0 | 111 | G869 N873 | G869-S871 PolarHBondContact O-N 2.98Å; G869-S871 PolarHBondContact O-OG 3.08Å; G869-S871 VanDerWaalsContact O-OG 3.08Å; S871-N873 PolarHBondContact O-N 3.1Å; S871-N873 PolarHBondContact O-ND2 3.25Å | ||
| 872 | L | 40.9 | Very low | 41.9 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -69.6 | 75.1 | 166.3 | -71.4 | 179.6 | 0 | 0 | 0 | 110.9 | E870 | E870-L872 PolarHBondContact O-N 2.99Å; E870-L872 VanDerWaalsContact O-N 3.1Å | ||
| 873 | N | 37 | Very low | 43.5 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -69.1 | 152.5 | 161.4 | -63.1 | -74.6 | 0 | 0 | 0 | 110 | S871 | S871-N873 PolarHBondContact O-N 3.1Å; S871-N873 PolarHBondContact O-ND2 3.25Å | ||
| 874 | G | 33.6 | Very low | 44.8 | Very low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | trans | 60.4 | 79.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 875 | I | 40.7 | Very low | 46.7 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -115.1 | 93.5 | 143 | -57.8 | -179 | 0 | 0 | 0 | 106.3 | N877 | I875-N877 VanDerWaalsContact C-N 3.32Å; I875-N877 PolarHBondContact O-N 2.82Å | ||
| 876 | D | 41 | Very low | 48.3 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | trans | -73.4 | 87.5 | 174.1 | -55.9 | -65.5 | 0 | 0 | 0 | 108.2 | E878 | D876-E878 VanDerWaalsContact C-N 3.33Å; D876-E878 PolarHBondContact O-N 3.1Å | ||
| 877 | N | 47.3 | Very low | 50.1 | Low | 103 Ų | 103 | 125.3 Ų | 125.3 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | trans | -84.4 | 76.8 | -175.8 | -160.8 | 69.3 | 0 | 0 | 0 | 111.1 | I875 N879 A880 | I875-N877 VanDerWaalsContact C-N 3.32Å; I875-N877 PolarHBondContact O-N 2.82Å; N877-N879 PolarHBondContact O-N 3.23Å; N877-A880 PolarHBondContact O-N 3.31Å | ||
| 878 | E | 57.2 | Low | 51.6 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 83% | 0.827 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 2.5 | -175.2 | -59.6 | -174 | 162.3 | 0 | 0 | 114.8 | D876 | D876-E878 VanDerWaalsContact C-N 3.33Å; D876-E878 PolarHBondContact O-N 3.1Å |
| 879 | N | 51.4 | Low | 53.3 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | 10.9 | 177.1 | -81.1 | 96 | 0 | 0 | 0 | 114.8 | N877 E881 D882 | N877-N879 PolarHBondContact O-N 3.23Å; N879-E881 PolarHBondContact O-N 3.21Å; N879-D882 PolarHBondContact ND2-OD2 3.19Å; N879-D882 PolarHBondContact O-N 3.04Å |
| 880 | A | 55.1 | Low | 55.7 | Low | 57 Ų | 57 | 117.6 Ų | 117.6 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | 7.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N877 | N877-A880 PolarHBondContact O-N 3.31Š|
| 881 | E | 57 | Low | 57.4 | Low | 163 Ų | 163 | 113.1 Ų | 113.1 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -40 | 176.2 | -57.2 | -164.2 | 150.1 | 0 | 0 | 111.4 | N879 D883 M884 E885 | N879-E881 PolarHBondContact O-N 3.21Å; E881-D883 VanDerWaalsContact C-N 3.33Å; E881-D883 PolarHBondContact O-N 3.12Å; E881-M884 WeakPolarHBondContact O-CB 3.43Å; E881-M884 PolarHBondContact O-N 2.93Å; E881-E885 PolarHBondContact O-N 3.17Å |
| 882 | D | 58.9 | Low | 59.5 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 54% | 0.535 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.3 | -42.8 | 174.6 | -52.7 | -43.4 | 0 | 0 | 0 | 111.8 | N879 M884 E885 Q886 | N879-D882 PolarHBondContact ND2-OD2 3.19Å; N879-D882 PolarHBondContact O-N 3.04Å; D882-M884 PolarHBondContact O-N 3.1Å; D882-M884 VanDerWaalsContact O-N 3.09Å; D882-E885 PolarHBondContact O-N 3.21Å; D882-Q886 PolarHBondContact O-N 3.46Å |
| 883 | D | 67 | Low | 61.2 | Low | 101 Ų | 101 | 110 Ų | 110 | 54% | 0.54 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -54.7 | -26.7 | 174.1 | -85.5 | -21.7 | 0 | 0 | 0 | 112.5 | E881 I887 | E881-D883 VanDerWaalsContact C-N 3.33Å; E881-D883 PolarHBondContact O-N 3.12Å; D883-I887 WeakPolarHBondContact O-CB 3.25Å; D883-I887 VanDerWaalsContact O-CD1 3.29Å; D883-I887 WeakPolarHBondContact O-CD1 3.02Å; D883-I887 WeakPolarHBondContact O-CG1 3.29Å; D883-I887 PolarHBondContact O-N 3.43Å |
| 884 | M | 62.5 | Low | 62.9 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 50% | 0.498 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -82.9 | -42.8 | -177.8 | -157.9 | 173.1 | -40.2 | 0 | 0 | 111.9 | E881 D882 I887 E888 | E881-M884 WeakPolarHBondContact O-CB 3.43Å; E881-M884 PolarHBondContact O-N 2.93Å; D882-M884 PolarHBondContact O-N 3.1Å; D882-M884 VanDerWaalsContact O-N 3.09Å; M884-I887 PolarHBondContact O-N 3.31Å; M884-E888 PolarHBondContact O-N 3.21Å |
| 885 | E | 70.9 | Confident | 64.8 | Low | 139 Ų | 139 | 110.3 Ų | 110.3 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.5 | -37.1 | 175.8 | -173.9 | 167.4 | -132.7 | 0 | 0 | 111.1 | E881 D882 I887 E888 N889 | E881-E885 PolarHBondContact O-N 3.17Å; D882-E885 PolarHBondContact O-N 3.21Å; E885-I887 PolarHBondContact O-N 3.17Å; E885-E888 PolarHBondContact O-N 3.27Å; E885-N889 WeakPolarHBondContact CG-ND2 3.3Å; E885-N889 WeakPolarHBondContact O-CB 3.29Å; E885-N889 PolarHBondContact O-N 3.48Å; E885-N889 PolarHBondContact O-ND2 3.19Å |
| 886 | Q | 72.8 | Confident | 66.3 | Low | 118 Ų | 118 | 105.4 Ų | 105.4 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.5 | -44.7 | 171.7 | -170 | 69.7 | 64.7 | 0 | 0 | 111.6 | D882 D890 | D882-Q886 PolarHBondContact O-N 3.46Å; Q886-D890 WeakPolarHBondContact O-CB 3.07Å; Q886-D890 PolarHBondContact O-N 3.4Å |
| 887 | I | 71.6 | Confident | 67.8 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 179.2 | -72.6 | 169.8 | 0 | 0 | 0 | 112.4 | D883 M884 E885 D890 V891 | D883-I887 WeakPolarHBondContact O-CB 3.25Å; D883-I887 VanDerWaalsContact O-CD1 3.29Å; D883-I887 WeakPolarHBondContact O-CD1 3.02Å; D883-I887 WeakPolarHBondContact O-CG1 3.29Å; D883-I887 PolarHBondContact O-N 3.43Å; M884-I887 PolarHBondContact O-N 3.31Å; E885-I887 PolarHBondContact O-N 3.17Å; I887-D890 PolarHBondContact O-N 3Å; I887-V891 WeakPolarHBondContact O-CB 3.37Å; I887-V891 VanDerWaalsContact O-CG2 3.3Å; I887-V891 WeakPolarHBondContact O-CG2 3.38Å; I887-V891 PolarHBondContact O-N 3.35Å |
| 888 | E | 73.1 | Confident | 68.7 | Low | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.3 | -36.8 | 177.5 | -68.7 | -166.8 | 151.8 | 0 | 0 | 111 | R655 M884 E885 V891 E892 | R655-E888 IonicContact NH2-OE1 2.78Å; R655-E888 PolarHBondContact NH2-OE1 2.71Å; M884-E888 PolarHBondContact O-N 3.21Å; E885-E888 PolarHBondContact O-N 3.27Å; E888-V891 PolarHBondContact O-N 3.47Å; E888-E892 WeakPolarHBondContact O-CB 3.28Å; E888-E892 PolarHBondContact O-N 3.38Å |
| 889 | N | 77.6 | Confident | 68.7 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 170.1 | -78.7 | -70 | 0 | 0 | 0 | 113.4 | E885 V891 E892 A893 | E885-N889 WeakPolarHBondContact CG-ND2 3.3Å; E885-N889 WeakPolarHBondContact O-CB 3.29Å; E885-N889 PolarHBondContact O-N 3.48Å; E885-N889 PolarHBondContact O-ND2 3.19Å; N889-V891 VanDerWaalsContact C-N 3.26Å; N889-V891 PolarHBondContact O-N 3.03Å; N889-E892 PolarHBondContact O-N 3.24Å; N889-A893 WeakPolarHBondContact O-CB 3.48Å; N889-A893 PolarHBondContact O-N 3.38Å |
| 890 | D | 80.1 | Confident | 69.2 | Low | 95 Ų | 95 | 105.2 Ų | 105.2 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 176.3 | -78.6 | -3.6 | 0 | 0 | 0 | 111.8 | Q886 I887 E894 | Q886-D890 WeakPolarHBondContact O-CB 3.07Å; Q886-D890 PolarHBondContact O-N 3.4Å; I887-D890 PolarHBondContact O-N 3Å; D890-E894 PolarHBondContact O-N 3.19Å |
| 891 | V | 76.7 | Confident | 69.1 | Low | 81 Ų | 81 | 109.3 Ų | 109.3 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.7 | -43.5 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | I887 E888 N889 A893 E894 M895 | I887-V891 WeakPolarHBondContact O-CB 3.37Å; I887-V891 VanDerWaalsContact O-CG2 3.3Å; I887-V891 WeakPolarHBondContact O-CG2 3.38Å; I887-V891 PolarHBondContact O-N 3.35Å; E888-V891 PolarHBondContact O-N 3.47Å; N889-V891 VanDerWaalsContact C-N 3.26Å; N889-V891 PolarHBondContact O-N 3.03Å; V891-A893 VanDerWaalsContact C-N 3.27Å; V891-A893 PolarHBondContact O-N 3.43Å; V891-E894 PolarHBondContact O-N 3.09Å; V891-M895 WeakPolarHBondContact O-CB 3.15Å; V891-M895 PolarHBondContact O-N 3.1Å |
| 892 | E | 78 | Confident | 68.4 | Low | 140 Ų | 140 | 108.2 Ų | 108.2 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -56.4 | -44.5 | 173.9 | -161.1 | 80.2 | -175 | 0 | 0 | 110.3 | E888 N889 M895 A896 | E888-E892 WeakPolarHBondContact O-CB 3.28Å; E888-E892 PolarHBondContact O-N 3.38Å; N889-E892 PolarHBondContact O-N 3.24Å; E892-M895 PolarHBondContact O-N 3.05Å; E892-A896 WeakPolarHBondContact O-CB 3.21Å; E892-A896 PolarHBondContact O-N 3.16Å |
| 893 | A | 75.9 | Confident | 67.7 | Low | 61 Ų | 61 | 108.8 Ų | 108.8 | 50% | 0.504 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N889 V891 M895 A897 | N889-A893 WeakPolarHBondContact O-CB 3.48Å; N889-A893 PolarHBondContact O-N 3.38Å; V891-A893 VanDerWaalsContact C-N 3.27Å; V891-A893 PolarHBondContact O-N 3.43Å; A893-M895 PolarHBondContact O-N 3.37Å; A893-A897 WeakPolarHBondContact O-CB 3.27Å; A893-A897 PolarHBondContact O-N 3.41Å |
| 894 | E | 73.7 | Confident | 66.3 | Low | 69 Ų | 69 | 114.4 Ų | 114.4 | 32% | 0.322 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -29.9 | 173.5 | -159.4 | -166.6 | 147.2 | 0 | 0 | 111.4 | R644 D890 V891 R898 | R644-E894 IonicContact CZ-OE2 2.84Å; R644-E894 IonicContact NE-OE2 3.86Å; R644-E894 PolarHBondContact NE-OE2 3.1Å; R644-E894 IonicContact NH2-OE1 3.76Å; R644-E894 IonicContact NH2-OE2 2.99Å; R644-E894 PolarHBondContact NH2-OE2 3.48Å; D890-E894 PolarHBondContact O-N 3.19Å; V891-E894 PolarHBondContact O-N 3.09Å; E894-R898 WeakPolarHBondContact O-CD 3.27Å; E894-R898 WeakPolarHBondContact O-CG 3.47Å; E894-R898 PolarHBondContact O-N 3.41Å; E894-R898 IonicContact OE1-NH1 3.93Å; E894-R898 PolarHBondContact OE1-NH1 3.1Å |
| 895 | M | 72.1 | Confident | 65.2 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.3 | -50.1 | 178.2 | -146.7 | 153 | -172.3 | 0 | 0 | 111.2 | V891 E892 A893 A897 R898 E899 | V891-M895 WeakPolarHBondContact O-CB 3.15Å; V891-M895 PolarHBondContact O-N 3.1Å; E892-M895 PolarHBondContact O-N 3.05Å; A893-M895 PolarHBondContact O-N 3.37Å; M895-A897 VanDerWaalsContact C-N 3.33Å; M895-A897 PolarHBondContact O-N 3.02Å; M895-R898 PolarHBondContact O-N 3.02Å; M895-E899 PolarHBondContact O-N 3Å |
| 896 | A | 73.6 | Confident | 63.5 | Low | 52 Ų | 52 | 116.4 Ų | 116.4 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.8 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E892 R898 E899 I900 | E892-A896 WeakPolarHBondContact O-CB 3.21Å; E892-A896 PolarHBondContact O-N 3.16Å; A896-R898 PolarHBondContact O-N 3.29Å; A896-E899 PolarHBondContact O-N 2.87Å; A896-I900 WeakPolarHBondContact O-CD1 3.48Å; A896-I900 WeakPolarHBondContact O-CG1 3.48Å; A896-I900 PolarHBondContact O-N 3.33Å |
| 897 | A | 72.6 | Confident | 62.1 | Low | 46 Ų | 46 | 117 Ų | 117 | 38% | 0.38 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.4 | -18.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A893 M895 M901 | A893-A897 WeakPolarHBondContact O-CB 3.27Å; A893-A897 PolarHBondContact O-N 3.41Å; M895-A897 VanDerWaalsContact C-N 3.33Å; M895-A897 PolarHBondContact O-N 3.02Å; A897-M901 VanDerWaalsContact O-CE 3.25Å; A897-M901 WeakPolarHBondContact O-CE 3.34Å |
| 898 | R | 64.5 | Low | 60.6 | Low | 156 Ų | 156 | 117.8 Ų | 117.8 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -91.6 | -34.1 | 179.9 | -69.7 | 166.6 | 79.3 | 128 | 9.7 | 112.5 | E894 M895 A896 I900 M901 | E894-R898 WeakPolarHBondContact O-CD 3.27Å; E894-R898 WeakPolarHBondContact O-CG 3.47Å; E894-R898 PolarHBondContact O-N 3.41Å; E894-R898 IonicContact OE1-NH1 3.93Å; E894-R898 PolarHBondContact OE1-NH1 3.1Å; M895-R898 PolarHBondContact O-N 3.02Å; A896-R898 PolarHBondContact O-N 3.29Å; R898-I900 PolarHBondContact O-N 2.78Å; R898-M901 PolarHBondContact O-N 3.14Å; R898-M901 VanDerWaalsContact O-N 3.1Å |
| 899 | E | 58.4 | Low | 58.9 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.9 | -27.4 | 169.4 | -64.8 | -167.1 | 147.4 | 0 | 0 | 112.2 | M895 A896 M901 | M895-E899 PolarHBondContact O-N 3Å; A896-E899 PolarHBondContact O-N 2.87Å; E899-M901 VanDerWaalsContact C-N 3.25Å; E899-M901 PolarHBondContact O-N 3.15Å |
| 900 | I | 61.2 | Low | 57.1 | Low | 144 Ų | 144 | 119.3 Ų | 119.3 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -9.7 | 176.9 | -66.1 | 167 | 0 | 0 | 0 | 112.9 | A896 R898 | A896-I900 WeakPolarHBondContact O-CD1 3.48Å; A896-I900 WeakPolarHBondContact O-CG1 3.48Å; A896-I900 PolarHBondContact O-N 3.33Å; R898-I900 PolarHBondContact O-N 2.78Å |
| 901 | M | 53.2 | Low | 54.9 | Low | 142 Ų | 142 | 126.5 Ų | 126.5 | 70% | 0.7 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 15 | -172.8 | -75.4 | -165.7 | -76.7 | 0 | 0 | 116 | A897 R898 E899 P903 | A897-M901 VanDerWaalsContact O-CE 3.25Å; A897-M901 WeakPolarHBondContact O-CE 3.34Å; R898-M901 PolarHBondContact O-N 3.14Å; R898-M901 VanDerWaalsContact O-N 3.1Å; E899-M901 VanDerWaalsContact C-N 3.25Å; E899-M901 PolarHBondContact O-N 3.15Å; M901-P903 VanDerWaalsContact O-CD 3.31Å; M901-P903 WeakPolarHBondContact O-CD 3.37Å |
| 902 | D | 42 | Very low | 53.1 | Low | 141 Ų | 141 | 128.5 Ų | 128.5 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | -99.3 | 104.6 | 172.1 | -105.2 | -44.1 | 0 | 0 | 0 | 112.1 | R904 | D902-R904 VanDerWaalsContact C-N 3.31Å; D902-R904 PolarHBondContact O-N 3.42Å; D902-R904 VanDerWaalsContact O-N 3.09Å | ||
| 903 | P | 44.3 | Very low | 51.2 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | -89.3 | 51.3 | -173.3 | 37.5 | -38 | 0 | 0 | 0 | 113.2 | M901 | M901-P903 VanDerWaalsContact O-CD 3.31Å; M901-P903 WeakPolarHBondContact O-CD 3.37Å | ||
| 904 | R | 37.6 | Very low | 49.4 | Very low | 220 Ų | 220 | 134.5 Ų | 134.5 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -157.9 | 93.7 | 165.4 | -83.1 | 109.3 | -167.6 | -92.3 | 1.3 | 111.6 | D902 | D902-R904 VanDerWaalsContact C-N 3.31Å; D902-R904 PolarHBondContact O-N 3.42Å; D902-R904 VanDerWaalsContact O-N 3.09Å | ||
| 905 | D | 39.6 | Very low | 47.7 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 179.4 | 94.4 | 132.2 | -95.7 | -15.2 | 0 | 0 | 0 | 109.8 | ||||
| 906 | S | 35.8 | Very low | 46.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -114.2 | 108.9 | 173 | -70.2 | 0 | 0 | 0 | 0 | 109.2 | S908 | S906-S908 PolarHBondContact O-N 3.41Š| ||
| 907 | P | 43.4 | Very low | 44.7 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -69.8 | 122.6 | -178.4 | 27.7 | -33.6 | 0 | 0 | 0 | 110.5 | ||||
| 908 | S | 39.6 | Very low | 43.2 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 145.6 | 177.8 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | S906 | S906-S908 PolarHBondContact O-N 3.41Š| ||
| 909 | S | 37.2 | Very low | 42.2 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 70.9 | 87.6 | 165.2 | -158.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 910 | A | 38.9 | Very low | 41.6 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -124.6 | 131.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 911 | R | 34.8 | Very low | 41.2 | Very low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -69.9 | 137.2 | 177.4 | -72.4 | 166.7 | 159.7 | 168.1 | -9.2 | 110.6 | ||||
| 912 | S | 38.6 | Very low | 40.7 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -151.2 | 153.1 | 137.2 | -158.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 913 | I | 37.8 | Very low | 40.5 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -103.4 | 131.3 | -169.2 | -52.9 | 163.3 | 0 | 0 | 0 | 107.8 | ||||
| 914 | H | 39.1 | Very low | 40.1 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | 178.6 | 154.3 | 120.5 | -104.2 | -82.9 | 0 | 0 | 0 | 114.1 | |||||
| 915 | A | 38.3 | Very low | 40.4 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -80.1 | 154.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 916 | S | 40.9 | Very low | 40.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | -160.3 | 121.8 | 114.3 | -161.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 917 | R | 41.1 | Very low | 41.1 | Very low | 227 Ų | 227 | 136.2 Ų | 136.2 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | 21.9 | 119.1 | 144.8 | -57.2 | 174.8 | 178.2 | -170.8 | -1.5 | 119.2 | ||||
| 918 | N | 40.4 | Very low | 41 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | -147.5 | 157.3 | 118.5 | -99.1 | -35.8 | 0 | 0 | 0 | 110.7 | |||||
| 919 | S | 44.9 | Very low | 41.1 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -98.7 | 152.4 | -159.3 | 47.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 920 | P | 44.8 | Very low | 41.3 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | trans | -84.5 | 156.5 | -177.5 | 35.2 | -36.6 | 0 | 0 | 0 | 113.5 | ||||
| 921 | P | 52.2 | Low | 41.4 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -87.6 | 113.8 | 164 | 33.1 | -29 | 0 | 0 | 0 | 110.9 | ||||
| 922 | T | 43.6 | Very low | 41.8 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | -110.8 | 139.6 | 172.4 | 35.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 923 | T | 36.6 | Very low | 41.9 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 56.3 | 106.2 | 156 | 54.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 924 | C | 37.3 | Very low | 42.3 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -146.9 | 76 | 146.8 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 925 | A | 44.2 | Very low | 42.8 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -114.1 | 103.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | N927 | A925-N927 PolarHBondContact O-N 3.28Š| ||
| 926 | T | 45.8 | Very low | 43.3 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -83.8 | 92.7 | -171 | -36.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 927 | N | 43.5 | Very low | 43.5 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -108.3 | 108.5 | 173.1 | -88.8 | -31.7 | 0 | 0 | 0 | 111.9 | A925 V929 | A925-N927 PolarHBondContact O-N 3.28Å; N927-V929 PolarHBondContact O-N 3.15Å | ||
| 928 | H | 41.6 | Very low | 43.7 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -82 | 93.9 | 169.2 | -123.7 | -74.3 | 0 | 0 | 0 | 109.1 | ||||
| 929 | V | 41.4 | Very low | 44 | Very low | 122 Ų | 122 | 126 Ų | 126 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -118 | 120.3 | 173.5 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | N927 | N927-V929 PolarHBondContact O-N 3.15Š| ||
| 930 | T | 41 | Very low | 43.7 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 156.3 | 167.1 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 931 | T | 41.1 | Very low | 43.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 69.7 | 83.2 | 169.4 | 65.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 932 | S | 42.5 | Very low | 43.6 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | 61.2 | 128 | 117.9 | 63.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 933 | G | 41 | Very low | 43.6 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 159.1 | 91.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 934 | M | 47.5 | Very low | 44 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | 44.1 | 121.2 | 148.4 | -64.4 | 160.9 | 172.8 | 0 | 0 | 119.9 | ||||
| 935 | D | 49.1 | Very low | 44.3 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | cis | 99.1 | 96.4 | 45.2 | -77 | -50.7 | 0 | 0 | 0 | 115.2 | ||||
| 936 | N | 48.1 | Very low | 44.4 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | trans | 58.8 | 122.8 | 134.3 | -43 | -47.4 | 0 | 0 | 0 | 122.5 | ||||
| 937 | N | 46.3 | Very low | 44.3 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | 171.1 | 136 | 111 | -87.4 | -56.5 | 0 | 0 | 0 | 110.2 | |||||
| 938 | S | 43.8 | Very low | 44.3 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | 69.8 | 137 | 72.7 | -144.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 939 | V | 47.4 | Very low | 44.5 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | cis | -146.1 | 137.9 | 30.8 | -170.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 940 | F | 38.8 | Very low | 44.7 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | 68.6 | 147.1 | 64.9 | -126.8 | -82.2 | 0 | 0 | 0 | 116.6 | |||||
| 941 | S | 45.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | 70.9 | 135.6 | 174.7 | -56.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 942 | A | 49.3 | Very low | 45.4 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 100% | 1.455 | 83% | 0.83 | S | S | * | * | cis | -143.4 | 0 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 942 of 942 residues in 551.9 ms
(Link to these results)